| 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 | 29.6 | Very low | 39.2 | Very low | 234 Ų | 234 | 134.6 Ų | 134.6 | 100% | 1.153 | 70% | 0.702 | S | S | * | * | 0 | 110.5 | 0 | -81.4 | 177.5 | 158.2 | 0 | 0 | 107.7 | V3 | M1-V3 PolarHBondContact O-N 2.62Š| |||
| 2 | T | 27 | Very low | 41 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | 25.6 | 80.5 | 169.6 | 39.9 | 0 | 0 | 0 | 0 | 117.8 | V4 | T2-V4 VanDerWaalsContact C-N 3.32Å; T2-V4 PolarHBondContact O-N 2.55Å; T2-V4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | V | 32.7 | Very low | 44.1 | Very low | 151 Ų | 151 | 123.3 Ų | 123.3 | 92% | 0.915 | 65% | 0.653 | S | S | * | * | trans | -73.4 | 91.7 | 154 | 178.6 | 0 | 0 | 0 | 0 | 106.4 | M1 R5 | M1-V3 PolarHBondContact O-N 2.62Å; V3-R5 PolarHBondContact O-N 3.37Å | ||
| 4 | V | 35.3 | Very low | 47.1 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 60% | 0.6 | 63% | 0.632 | S | S | * | * | trans | -79.4 | 113 | 179.2 | 177 | 0 | 0 | 0 | 0 | 109.4 | T2 | T2-V4 VanDerWaalsContact C-N 3.32Å; T2-V4 PolarHBondContact O-N 2.55Å; T2-V4 VanDerWaalsContact O-N 3.13Å | ||
| 5 | R | 36.2 | Very low | 49.7 | Very low | 193 Ų | 193 | 117.2 Ų | 117.2 | 73% | 0.728 | 62% | 0.615 | S | S | * | * | trans | 29.2 | 90.5 | 151 | -69.6 | 178.4 | 172.6 | 177.4 | -1 | 116.8 | V3 | V3-R5 PolarHBondContact O-N 3.37Š| ||
| 6 | R | 44.1 | Very low | 52.1 | Low | 137 Ų | 137 | 115.6 Ų | 115.6 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -94.5 | -20.6 | 159.3 | -131.8 | -174 | -178.2 | 102.5 | 17.2 | 113.2 | N8 D356 | R6-N8 VanDerWaalsContact C-N 3.29Å; R6-N8 PolarHBondContact O-N 2.81Å; R6-D356 IonicContact NH2-OD2 3.47Å |
| 7 | D | 37.9 | Very low | 54.4 | Low | 141 Ų | 141 | 110.9 Ų | 110.9 | 75% | 0.754 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -2 | -174.3 | -59.9 | -29.9 | 0 | 0 | 0 | 114.6 | ||
| 8 | N | 40.1 | Very low | 56.6 | Low | 92 Ų | 92 | 104.7 Ų | 104.7 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -2.3 | -175.9 | -80.4 | 26.6 | 0 | 0 | 0 | 115.1 | R6 C12 | R6-N8 VanDerWaalsContact C-N 3.29Å; R6-N8 PolarHBondContact O-N 2.81Å; N8-C12 PolarHBondContact O-SG 3.45Å; N8-C12 VanDerWaalsContact O-SG 3.4Å |
| 9 | L | 49.9 | Very low | 58.5 | Low | 61 Ų | 61 | 101.4 Ų | 101.4 | 32% | 0.319 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -99.3 | -14.4 | -179.2 | -83.2 | 151.3 | 0 | 0 | 0 | 113.4 | D11 C12 K17 | L9-D11 VanDerWaalsContact C-N 3.3Å; L9-D11 PolarHBondContact O-N 3.03Å; L9-C12 PolarHBondContact O-N 3.27Å; L9-K17 HydrophobicContact CD2-CB 4.44Å; L9-K17 HydrophobicContact CD2-CG 3.78Å; L9-K17 WeakPolarHBondContact O-CE 3.44Å; L9-K17 PolarHBondContact O-NZ 2.79Å; L9-K17 VanDerWaalsContact O-NZ 3.12Å |
| 10 | S | 50.7 | Low | 60.3 | Low | 90 Ų | 90 | 99.6 Ų | 99.6 | 63% | 0.629 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -65.7 | -34.5 | -178.5 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 11 | D | 48 | Very low | 62 | Low | 157 Ų | 157 | 95.8 Ų | 95.8 | 84% | 0.84 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -95.4 | -2.2 | -178.2 | -72.7 | -11.6 | 0 | 0 | 0 | 114.5 | L9 | L9-D11 VanDerWaalsContact C-N 3.3Å; L9-D11 PolarHBondContact O-N 3.03Å |
| 12 | C | 60.7 | Low | 65.1 | Low | 40 Ų | 40 | 86 Ų | 86 | 27% | 0.27 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -76.3 | 142.3 | 178.6 | -84.3 | 0 | 0 | 0 | 0 | 112.3 | N8 L9 E16 K17 | N8-C12 PolarHBondContact O-SG 3.45Å; N8-C12 VanDerWaalsContact O-SG 3.4Å; L9-C12 PolarHBondContact O-N 3.27Å; C12-E16 VanDerWaalsContact CA-OE2 3.25Å; C12-E16 WeakPolarHBondContact CA-OE2 3.39Å; C12-E16 HydrophobicContact CB-CB 4.06Å; C12-E16 VanDerWaalsContact CB-OE2 3.31Å; C12-E16 WeakPolarHBondContact CB-OE2 3.37Å; C12-E16 PolarHBondContact SG-OE2 2.77Å; C12-E16 VanDerWaalsContact SG-OE2 3.36Å; C12-K17 HydrophobicContact CB-CG 4.24Å; C12-K17 WeakPolarHBondContact O-CE 3.46Å |
| 13 | T | 80.8 | Confident | 68.4 | Low | 82 Ų | 82 | 86.1 Ų | 86.1 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | trans | -59.9 | 152.7 | 172.7 | 65 | 0 | 0 | 0 | 0 | 110.4 | K15 E16 K17 | T13-K15 PolarHBondContact O-N 3.22Å; T13-K15 VanDerWaalsContact O-N 3.17Å; T13-E16 PolarHBondContact N-OE2 3.45Å; T13-E16 PolarHBondContact O-N 3.08Å; T13-E16 VanDerWaalsContact O-N 3.1Å; T13-E16 VanDerWaalsContact OG1-CG 3.32Å; T13-E16 WeakPolarHBondContact OG1-CG 3.26Å; T13-E16 PolarHBondContact OG1-N 3.18Å; T13-E16 PolarHBondContact OG1-OE2 3.16Å; T13-K17 PolarHBondContact O-N 2.87Å | ||
| 14 | L | 86.3 | Confident | 71.4 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 36% | 0.356 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -53.3 | -38.4 | 177.6 | 177.2 | 61.6 | 0 | 0 | 0 | 111.6 | K17 L18 I74 C426 | L14-K17 PolarHBondContact O-N 2.6Å; L14-L18 HydrophobicContact CD1-CD1 4.42Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.22Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.19Å; L14-I74 HydrophobicContact CD2-CG2 3.66Å; L14-I74 HydrophobicContact CG-CG2 4.41Å; L14-C426 HydrophobicContact CD1-CB 4.43Å |
| 15 | K | 85.8 | Confident | 74.4 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 177.1 | -172.7 | 172 | 179.3 | 172.8 | 0 | 111.7 | T13 K17 L18 D19 E78 | T13-K15 PolarHBondContact O-N 3.22Å; T13-K15 VanDerWaalsContact O-N 3.17Å; K15-K17 VanDerWaalsContact C-N 3.29Å; K15-K17 PolarHBondContact O-N 2.69Å; K15-L18 PolarHBondContact O-N 3.12Å; K15-L18 VanDerWaalsContact O-N 3.1Å; K15-D19 PolarHBondContact O-N 2.83Å; K15-E78 IonicContact NZ-OE1 3.78Å; K15-E78 PolarHBondContact NZ-OE1 3.47Å |
| 16 | E | 88.7 | Confident | 77.3 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.6 | -37.3 | 178.5 | -71.2 | 167.3 | 155.6 | 0 | 0 | 112.8 | C12 T13 D19 F20 | C12-E16 VanDerWaalsContact CA-OE2 3.25Å; C12-E16 WeakPolarHBondContact CA-OE2 3.39Å; C12-E16 HydrophobicContact CB-CB 4.06Å; C12-E16 VanDerWaalsContact CB-OE2 3.31Å; C12-E16 WeakPolarHBondContact CB-OE2 3.37Å; C12-E16 PolarHBondContact SG-OE2 2.77Å; C12-E16 VanDerWaalsContact SG-OE2 3.36Å; T13-E16 PolarHBondContact N-OE2 3.45Å; T13-E16 PolarHBondContact O-N 3.08Å; T13-E16 VanDerWaalsContact O-N 3.1Å; T13-E16 VanDerWaalsContact OG1-CG 3.32Å; T13-E16 WeakPolarHBondContact OG1-CG 3.26Å; T13-E16 PolarHBondContact OG1-N 3.18Å; T13-E16 PolarHBondContact OG1-OE2 3.16Å; E16-D19 PolarHBondContact O-N 3.42Å; E16-F20 PolarHBondContact O-N 2.88Å |
| 17 | K | 91.3 | Very high | 79.7 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.6 | -45 | 174.5 | -63.8 | 178.7 | 174.7 | 170.7 | 0 | 111.3 | L9 C12 T13 L14 K15 D19 F20 Y21 C426 | L9-K17 HydrophobicContact CD2-CB 4.44Å; L9-K17 HydrophobicContact CD2-CG 3.78Å; L9-K17 WeakPolarHBondContact O-CE 3.44Å; L9-K17 PolarHBondContact O-NZ 2.79Å; L9-K17 VanDerWaalsContact O-NZ 3.12Å; C12-K17 HydrophobicContact CB-CG 4.24Å; C12-K17 WeakPolarHBondContact O-CE 3.46Å; T13-K17 PolarHBondContact O-N 2.87Å; L14-K17 PolarHBondContact O-N 2.6Å; K15-K17 VanDerWaalsContact C-N 3.29Å; K15-K17 PolarHBondContact O-N 2.69Å; K17-D19 VanDerWaalsContact C-N 3.33Å; K17-F20 WeakPolarHBondContact O-CB 2.97Å; K17-F20 PolarHBondContact O-N 3.25Å; K17-Y21 WeakPolarHBondContact O-CD2 3.32Å; K17-Y21 PolarHBondContact O-N 3.41Å; K17-C426 VanDerWaalsContact CB-SG 3.5Å |
| 18 | L | 93.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 177.2 | -66.8 | 178.4 | 0 | 0 | 0 | 111.7 | L14 K15 F20 Y21 Y22 L67 C70 F71 I74 C426 | L14-L18 HydrophobicContact CD1-CD1 4.42Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.22Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.19Å; K15-L18 PolarHBondContact O-N 3.12Å; K15-L18 VanDerWaalsContact O-N 3.1Å; L18-F20 VanDerWaalsContact C-N 3.3Å; L18-F20 PolarHBondContact O-N 3.2Å; L18-Y21 PolarHBondContact O-N 3.41Å; L18-Y22 WeakPolarHBondContact O-CB 3.37Å; L18-Y22 PolarHBondContact O-N 3.02Å; L18-L67 HydrophobicContact CD2-CD1 4.16Å; L18-C70 HydrophobicContact CD1-CB 4.26Å; L18-C70 HydrophobicContact CD2-CB 3.49Å; L18-C70 VanDerWaalsContact CD2-CB 3.49Å; L18-F71 HydrophobicContact CB-CD1 4.39Å; L18-F71 HydrophobicContact CB-CE1 3.74Å; L18-F71 HydrophobicContact CB-CE2 4.15Å; L18-F71 HydrophobicContact CB-CZ 3.61Å; L18-F71 HydrophobicContact CD1-CD1 4.35Å; L18-F71 HydrophobicContact CD1-CE1 4.48Å; L18-F71 WeakPolarHBondContact O-CZ 3.37Å; L18-I74 HydrophobicContact CD1-CD1 3.67Å; L18-I74 HydrophobicContact CD1-CG1 4.17Å; L18-I74 HydrophobicContact CD1-CG2 4.44Å; L18-C426 HydrophobicContact CD2-CB 3.81Å |
| 19 | D | 92.5 | Very high | 85.1 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -36.2 | 175.1 | -65.7 | -6.8 | 0 | 0 | 0 | 112.1 | K15 E16 K17 R23 R80 | K15-D19 PolarHBondContact O-N 2.83Å; E16-D19 PolarHBondContact O-N 3.42Å; K17-D19 VanDerWaalsContact C-N 3.33Å; D19-R23 WeakPolarHBondContact O-CG 3.24Å; D19-R23 PolarHBondContact O-N 2.63Å; D19-R23 PolarHBondContact O-NE 3.24Å; D19-R80 IonicContact OD1-CZ 3.26Å; D19-R80 IonicContact OD1-NH1 3.85Å; D19-R80 PolarHBondContact OD1-NH1 2.91Å; D19-R80 IonicContact OD1-NH2 3.16Å; D19-R80 IonicContact OD2-NH1 3.65Å |
| 20 | F | 94.8 | Very high | 87.4 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 28% | 0.281 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.5 | -53.5 | 169.7 | 171.4 | -96.9 | 0 | 0 | 0 | 111.1 | E16 K17 L18 Y22 R23 V24 Y371 | E16-F20 PolarHBondContact O-N 2.88Å; K17-F20 WeakPolarHBondContact O-CB 2.97Å; K17-F20 PolarHBondContact O-N 3.25Å; L18-F20 VanDerWaalsContact C-N 3.3Å; L18-F20 PolarHBondContact O-N 3.2Å; F20-Y22 VanDerWaalsContact C-N 3.32Å; F20-Y22 PolarHBondContact O-N 3.13Å; F20-R23 PolarHBondContact O-N 2.88Å; F20-R23 VanDerWaalsContact O-N 3.13Å; F20-V24 HydrophobicContact CD1-CG2 4.17Å; F20-V24 HydrophobicContact CE1-CG2 3.73Å; F20-V24 HydrophobicContact CE2-CG2 4.16Å; F20-V24 HydrophobicContact CZ-CG2 3.72Å; F20-V24 WeakPolarHBondContact O-CG2 3.42Å; F20-V24 PolarHBondContact O-N 2.91Å; F20-Y371 HydrophobicContact CD2-CE1 4.49Å; F20-Y371 HydrophobicContact CE2-CD1 4.27Å; F20-Y371 AromaticContact CE2-CE1 3.83Å; F20-Y371 HydrophobicContact CE2-CE1 3.83Å; F20-Y371 HydrophobicContact CZ-CD1 4.4Å; F20-Y371 HydrophobicContact CZ-CE1 4.36Å |
| 21 | Y | 96 | Very high | 89.5 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -31.3 | -178.6 | -75 | -67.1 | 0 | 0 | 0 | 113.7 | K17 L18 V24 V25 I417 Q420 L421 S424 | K17-Y21 WeakPolarHBondContact O-CD2 3.32Å; K17-Y21 PolarHBondContact O-N 3.41Å; L18-Y21 PolarHBondContact O-N 3.41Å; Y21-V24 WeakPolarHBondContact O-CB 3.39Å; Y21-V24 PolarHBondContact O-N 3.4Å; Y21-V25 WeakPolarHBondContact O-CB 3.38Å; Y21-V25 WeakPolarHBondContact O-CG2 3.36Å; Y21-V25 PolarHBondContact O-N 2.96Å; Y21-I417 HydrophobicContact CD1-CG2 4.49Å; Y21-Q420 HydrophobicContact CE1-CB 4.03Å; Y21-Q420 PolarHBondContact OH-O 3.27Å; Y21-L421 HydrophobicContact CD1-CD2 4Å; Y21-L421 HydrophobicContact CD1-CG 4.18Å; Y21-L421 HydrophobicContact CD2-CD2 3.41Å; Y21-L421 VanDerWaalsContact CD2-CD2 3.41Å; Y21-L421 HydrophobicContact CD2-CG 4.37Å; Y21-L421 HydrophobicContact CE1-CD2 4.42Å; Y21-L421 HydrophobicContact CE1-CG 4.41Å; Y21-L421 HydrophobicContact CE2-CD2 3.89Å; Y21-L421 HydrophobicContact CG-CD2 3.47Å; Y21-L421 VanDerWaalsContact CG-CD2 3.47Å; Y21-L421 HydrophobicContact CG-CG 4.17Å; Y21-S424 WeakPolarHBondContact CE2-OG 3.13Å; Y21-S424 PolarHBondContact OH-OG 3.4Å |
| 22 | Y | 95.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 11% | 0.106 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 170.5 | 178.7 | -93.9 | 0 | 0 | 0 | 111.3 | L18 F20 V24 V25 K26 F71 R80 E83 L84 | L18-Y22 WeakPolarHBondContact O-CB 3.37Å; L18-Y22 PolarHBondContact O-N 3.02Å; F20-Y22 VanDerWaalsContact C-N 3.32Å; F20-Y22 PolarHBondContact O-N 3.13Å; Y22-V24 VanDerWaalsContact C-N 3.33Å; Y22-V24 PolarHBondContact O-N 3.04Å; Y22-V25 PolarHBondContact O-N 2.8Å; Y22-K26 HydrophobicContact CE1-CD 3.9Å; Y22-K26 WeakPolarHBondContact O-CB 3.43Å; Y22-K26 PolarHBondContact O-N 3.44Å; Y22-K26 PolarHBondContact OH-NZ 3.3Å; Y22-F71 HydrophobicContact CD2-CE2 4.15Å; Y22-F71 HydrophobicContact CD2-CZ 4.48Å; Y22-F71 HydrophobicContact CG-CE2 4.42Å; Y22-F71 HydrophobicContact CG-CZ 4.42Å; Y22-R80 HydrophobicContact CD2-CB 4.3Å; Y22-R80 HydrophobicContact CD2-CG 4.34Å; Y22-R80 HydrophobicContact CE2-CB 4.04Å; Y22-R80 HydrophobicContact CE2-CG 3.94Å; Y22-E83 PolarHBondContact OH-OE1 3.4Å; Y22-E83 PolarHBondContact OH-OE2 3.44Å; Y22-L84 HydrophobicContact CD2-CD1 4.13Å; Y22-L84 HydrophobicContact CD2-CD2 4.33Å; Y22-L84 HydrophobicContact CD2-CG 4.39Å; Y22-L84 HydrophobicContact CE2-CD1 4.49Å; Y22-L84 HydrophobicContact CE2-CD2 4.26Å; Y22-L84 HydrophobicContact CE2-CG 4.3Å |
| 23 | R | 95.8 | Very high | 93.6 | Very high | 130 Ų | 130 | 47.8 Ų | 47.8 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.8 | -37.2 | 175.1 | -68.4 | 177.6 | -72.5 | -179.2 | -2.4 | 112.2 | D19 F20 N27 Y371 | D19-R23 WeakPolarHBondContact O-CG 3.24Å; D19-R23 PolarHBondContact O-N 2.63Å; D19-R23 PolarHBondContact O-NE 3.24Å; F20-R23 PolarHBondContact O-N 2.88Å; F20-R23 VanDerWaalsContact O-N 3.13Å; R23-N27 WeakPolarHBondContact O-CB 3.47Å; R23-N27 PolarHBondContact O-N 2.93Å; R23-N27 PolarHBondContact O-ND2 3.5Å; R23-Y371 VanDerWaalsContact CB-OH 3.26Å; R23-Y371 WeakPolarHBondContact CB-OH 3.46Å |
| 24 | V | 96.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -54.6 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | F20 Y21 Y22 K26 N27 Q28 Y371 I417 | F20-V24 HydrophobicContact CD1-CG2 4.17Å; F20-V24 HydrophobicContact CE1-CG2 3.73Å; F20-V24 HydrophobicContact CE2-CG2 4.16Å; F20-V24 HydrophobicContact CZ-CG2 3.72Å; F20-V24 WeakPolarHBondContact O-CG2 3.42Å; F20-V24 PolarHBondContact O-N 2.91Å; Y21-V24 WeakPolarHBondContact O-CB 3.39Å; Y21-V24 PolarHBondContact O-N 3.4Å; Y22-V24 VanDerWaalsContact C-N 3.33Å; Y22-V24 PolarHBondContact O-N 3.04Å; V24-K26 VanDerWaalsContact C-N 3.32Å; V24-K26 PolarHBondContact O-N 3.02Å; V24-N27 PolarHBondContact O-N 3.05Å; V24-Q28 VanDerWaalsContact CG1-OE1 3.24Å; V24-Q28 WeakPolarHBondContact O-CB 3.04Å; V24-Q28 PolarHBondContact O-N 3.39Å; V24-Y371 HydrophobicContact CG2-CD1 3.68Å; V24-Y371 HydrophobicContact CG2-CD2 4.35Å; V24-Y371 HydrophobicContact CG2-CE1 3.69Å; V24-Y371 HydrophobicContact CG2-CE2 4.37Å; V24-Y371 HydrophobicContact CG2-CG 4.02Å; V24-I417 HydrophobicContact CG1-CD1 4.07Å; V24-I417 HydrophobicContact CG1-CG1 4.26Å |
| 25 | V | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | -179.5 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | Y21 Y22 N27 I29 L30 V63 V64 L67 I417 | Y21-V25 WeakPolarHBondContact O-CB 3.38Å; Y21-V25 WeakPolarHBondContact O-CG2 3.36Å; Y21-V25 PolarHBondContact O-N 2.96Å; Y22-V25 PolarHBondContact O-N 2.8Å; V25-N27 PolarHBondContact O-N 3.4Å; V25-I29 HydrophobicContact CG1-CB 4.35Å; V25-I29 WeakPolarHBondContact O-CA 2.95Å; V25-I29 WeakPolarHBondContact O-CB 3.26Å; V25-I29 PolarHBondContact O-N 3.14Å; V25-L30 HydrophobicContact CG1-CD1 4.25Å; V25-L30 HydrophobicContact CG1-CG 4.14Å; V25-L30 PolarHBondContact O-N 2.82Å; V25-V63 HydrophobicContact CG2-CG2 4.27Å; V25-V64 HydrophobicContact CG1-CG2 4.01Å; V25-L67 HydrophobicContact CB-CD2 3.97Å; V25-L67 HydrophobicContact CG1-CD2 4.4Å; V25-L67 HydrophobicContact CG2-CD2 3.84Å; V25-I417 HydrophobicContact CG2-CD1 4.48Å; V25-I417 HydrophobicContact CG2-CG2 3.97Å |
| 26 | K | 96.1 | Very high | 95.2 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.6 | -166.9 | 164.3 | -168.7 | 151.2 | 0 | 112 | Y22 V24 R31 E83 | Y22-K26 HydrophobicContact CE1-CD 3.9Å; Y22-K26 WeakPolarHBondContact O-CB 3.43Å; Y22-K26 PolarHBondContact O-N 3.44Å; Y22-K26 PolarHBondContact OH-NZ 3.3Å; V24-K26 VanDerWaalsContact C-N 3.32Å; V24-K26 PolarHBondContact O-N 3.02Å; K26-R31 PolarHBondContact O-N 3.05Å; K26-R31 VanDerWaalsContact O-N 3.07Å; K26-E83 IonicContact NZ-OE1 3.02Å |
| 27 | N | 95 | Very high | 95.5 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -79.3 | -29.3 | -177.2 | -78.3 | -68.6 | 0 | 0 | 0 | 114.5 | R23 V24 V25 R31 Y371 | R23-N27 WeakPolarHBondContact O-CB 3.47Å; R23-N27 PolarHBondContact O-N 2.93Å; R23-N27 PolarHBondContact O-ND2 3.5Å; V24-N27 PolarHBondContact O-N 3.05Å; V25-N27 PolarHBondContact O-N 3.4Å; N27-R31 WeakPolarHBondContact O-CD 3.34Å; N27-R31 VanDerWaalsContact O-CG 3.26Å; N27-R31 WeakPolarHBondContact O-CG 3.46Å; N27-R31 VanDerWaalsContact O-CZ 3.24Å; N27-R31 PolarHBondContact O-NE 3.2Å; N27-R31 PolarHBondContact O-NH1 3.07Å; N27-Y371 HydrophobicContact CB-CD2 4.06Å; N27-Y371 HydrophobicContact CB-CE2 3.86Å |
| 28 | Q | 95.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -103.2 | -27.7 | -174.6 | -66 | -171.4 | -42.7 | 0 | 0 | 113.8 | V24 F32 Y371 H372 W373 | V24-Q28 VanDerWaalsContact CG1-OE1 3.24Å; V24-Q28 WeakPolarHBondContact O-CB 3.04Å; V24-Q28 PolarHBondContact O-N 3.39Å; Q28-F32 WeakPolarHBondContact O-CD2 3.2Å; Q28-F32 WeakPolarHBondContact O-CE2 3.29Å; Q28-Y371 HydrophobicContact CG-CD2 4.45Å; Q28-H372 PolarHBondContact NE2-O 2.92Å; Q28-W373 HydrophobicContact CB-CH2 3.97Å; Q28-W373 HydrophobicContact CB-CZ2 3.79Å; Q28-W373 HydrophobicContact CG-CH2 4.39Å; Q28-W373 HydrophobicContact CG-CZ2 3.74Å; Q28-W373 WeakPolarHBondContact O-CH2 3.35Å |
| 29 | I | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -64.1 | -175.4 | -54 | -61.4 | 0 | 0 | 0 | 110.5 | V25 R31 F32 F40 C60 V63 V64 L410 Q413 I417 | V25-I29 HydrophobicContact CG1-CB 4.35Å; V25-I29 WeakPolarHBondContact O-CA 2.95Å; V25-I29 WeakPolarHBondContact O-CB 3.26Å; V25-I29 PolarHBondContact O-N 3.14Å; I29-R31 VanDerWaalsContact C-N 3.27Å; I29-R31 PolarHBondContact O-N 3.21Å; I29-F32 PolarHBondContact O-N 3.27Å; I29-F40 HydrophobicContact CG2-CD1 4.39Å; I29-F40 HydrophobicContact CG2-CE1 3.7Å; I29-F40 HydrophobicContact CG2-CZ 4.17Å; I29-F40 WeakPolarHBondContact O-CE1 3.34Å; I29-C60 HydrophobicContact CG2-CB 4.17Å; I29-V63 HydrophobicContact CG1-CG1 4.17Å; I29-V63 HydrophobicContact CG2-CG1 4.21Å; I29-V64 HydrophobicContact CG2-CG2 4.11Å; I29-L410 HydrophobicContact CD1-CD2 4.36Å; I29-Q413 HydrophobicContact CD1-CB 4.33Å; I29-Q413 HydrophobicContact CD1-CG 4.17Å; I29-I417 HydrophobicContact CD1-CD1 4.31Å; I29-I417 HydrophobicContact CG1-CD1 3.98Å |
| 30 | L | 97.5 | Very high | 96.2 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 13% | 0.131 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -64.2 | -28.3 | -171.1 | -65.2 | 174.8 | 0 | 0 | 0 | 113.8 | V25 F32 Q33 V64 L84 S87 | V25-L30 HydrophobicContact CG1-CD1 4.25Å; V25-L30 HydrophobicContact CG1-CG 4.14Å; V25-L30 PolarHBondContact O-N 2.82Å; L30-F32 PolarHBondContact O-N 2.92Å; L30-Q33 WeakPolarHBondContact O-CB 3.4Å; L30-Q33 PolarHBondContact O-N 3.44Å; L30-V64 HydrophobicContact CD2-CG1 4.15Å; L30-V64 HydrophobicContact CD2-CG2 3.6Å; L30-V64 HydrophobicContact CG-CG2 4.22Å; L30-L84 HydrophobicContact CD1-CD2 3.89Å; L30-S87 WeakPolarHBondContact CD2-OG 3.32Å |
| 31 | R | 95.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 38.7 Ų | 38.7 | 39% | 0.392 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -56.9 | -23.1 | 174.4 | 75 | 163.9 | -179.6 | -152.8 | 3.8 | 113.7 | K26 N27 I29 E369 | K26-R31 PolarHBondContact O-N 3.05Å; K26-R31 VanDerWaalsContact O-N 3.07Å; N27-R31 WeakPolarHBondContact O-CD 3.34Å; N27-R31 VanDerWaalsContact O-CG 3.26Å; N27-R31 WeakPolarHBondContact O-CG 3.46Å; N27-R31 VanDerWaalsContact O-CZ 3.24Å; N27-R31 PolarHBondContact O-NE 3.2Å; N27-R31 PolarHBondContact O-NH1 3.07Å; I29-R31 VanDerWaalsContact C-N 3.27Å; I29-R31 PolarHBondContact O-N 3.21Å; R31-E369 IonicContact CZ-OE1 3.14Å; R31-E369 IonicContact CZ-OE2 3.41Å; R31-E369 IonicContact NH1-OE1 3.69Å; R31-E369 IonicContact NH1-OE2 2.91Å; R31-E369 PolarHBondContact NH1-OE2 3.09Å; R31-E369 IonicContact NH2-OE1 3.67Å; R31-E369 PolarHBondContact NH2-OE1 2.96Å; R31-E369 IonicContact NH2-OE2 3.46Å; R31-E369 PolarHBondContact NH2-OE2 3.49Å |
| 32 | F | 95.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 10% | 0.101 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -99.6 | -1.9 | 179.7 | -61.6 | -62.9 | 0 | 0 | 0 | 112.8 | Q28 I29 L30 H34 P41 P44 Y125 W373 L410 | Q28-F32 WeakPolarHBondContact O-CD2 3.2Å; Q28-F32 WeakPolarHBondContact O-CE2 3.29Å; I29-F32 PolarHBondContact O-N 3.27Å; L30-F32 PolarHBondContact O-N 2.92Å; F32-H34 PolarHBondContact O-N 3.43Å; F32-P41 HydrophobicContact CB-CG 4.31Å; F32-P41 VanDerWaalsContact O-CD 3.24Å; F32-P41 WeakPolarHBondContact O-CD 3.38Å; F32-P44 HydrophobicContact CD1-CB 3.62Å; F32-P44 HydrophobicContact CD2-CB 4.26Å; F32-P44 HydrophobicContact CE1-CB 3.46Å; F32-P44 VanDerWaalsContact CE1-CB 3.46Å; F32-P44 HydrophobicContact CE2-CB 4.11Å; F32-P44 HydrophobicContact CG-CB 3.99Å; F32-P44 HydrophobicContact CZ-CB 3.68Å; F32-Y125 PolarHBondContact O-OH 3.26Å; F32-W373 HydrophobicContact CE2-CH2 4Å; F32-W373 HydrophobicContact CE2-CZ2 4.43Å; F32-L410 HydrophobicContact CB-CD1 4.16Å; F32-L410 HydrophobicContact CD2-CD1 4.36Å; F32-L410 HydrophobicContact CD2-CD2 3.69Å; F32-L410 HydrophobicContact CE2-CD2 4Å |
| 33 | Q | 97.3 | Very high | 96 | Very high | 34 Ų | 34 | 40.5 Ų | 40.5 | 16% | 0.159 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -71.9 | 127.1 | 175.6 | -164.5 | -179.9 | 26.4 | 0 | 0 | 109.6 | L30 G38 F40 S87 | L30-Q33 WeakPolarHBondContact O-CB 3.4Å; L30-Q33 PolarHBondContact O-N 3.44Å; Q33-G38 VanDerWaalsContact CG-O 3.26Å; Q33-G38 WeakPolarHBondContact CG-O 3.38Å; Q33-G38 PolarHBondContact NE2-O 2.79Å; Q33-F40 HydrophobicContact CB-CD1 4.19Å; Q33-F40 HydrophobicContact CB-CE1 3.56Å; Q33-F40 HydrophobicContact CB-CZ 3.77Å; Q33-F40 HydrophobicContact CG-CE1 3.97Å; Q33-F40 HydrophobicContact CG-CE2 4.06Å; Q33-F40 HydrophobicContact CG-CZ 3.69Å; Q33-S87 PolarHBondContact NE2-O 3.19Å; Q33-S87 PolarHBondContact OE1-OG 3.45Å |
| 34 | H | 96.7 | Very high | 95.8 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 12% | 0.12 | 18% | 0.179 | C | C | . | . | trans | -67.7 | 134 | 178.4 | -168.9 | -105 | 0 | 0 | 0 | 110.4 | F32 I36 S37 G38 L39 Y125 E126 | F32-H34 PolarHBondContact O-N 3.43Å; H34-I36 VanDerWaalsContact C-N 3.26Å; H34-I36 PolarHBondContact ND1-N 3.37Å; H34-I36 PolarHBondContact O-N 3.39Å; H34-S37 WeakPolarHBondContact CB-OG 3.24Å; H34-S37 PolarHBondContact ND1-N 2.77Å; H34-S37 PolarHBondContact ND1-OG 3Å; H34-G38 WeakPolarHBondContact O-CA 3.5Å; H34-G38 PolarHBondContact O-N 3.42Å; H34-L39 PolarHBondContact N-O 3.03Å; H34-Y125 HydrophobicContact CB-CD2 4.18Å; H34-Y125 HydrophobicContact CB-CE1 4.24Å; H34-Y125 HydrophobicContact CB-CE2 3.63Å; H34-Y125 WeakPolarHBondContact CB-O 3.34Å; H34-Y125 AromaticContact CD2-CE1 3.86Å; H34-E126 VanDerWaalsContact CE1-CA 3.46Å; H34-E126 WeakPolarHBondContact CE1-CA 3.5Å; H34-E126 PolarHBondContact CE1-O 3.28Å; H34-E126 VanDerWaalsContact CE1-O 3.25Å; H34-E126 PolarHBondContact ND1-O 3.29Å; H34-E126 VanDerWaalsContact ND1-O 3.13Å | ||
| 35 | P | 95 | Very high | 95.4 | Very high | 99 Ų | 99 | 39.3 Ų | 39.3 | 64% | 0.643 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.9 | -175.3 | 26.3 | -36.2 | 0 | 0 | 0 | 114.5 | K90 | P35-K90 WeakPolarHBondContact O-CE 3.36Å; P35-K90 PolarHBondContact O-NZ 2.7Å |
| 36 | I | 94.9 | Very high | 94.9 | Very high | 132 Ų | 132 | 42 Ų | 42 | 68% | 0.677 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | -71.9 | 179.3 | -57.1 | 176.6 | 0 | 0 | 0 | 110 | H34 G38 K90 | H34-I36 VanDerWaalsContact C-N 3.26Å; H34-I36 PolarHBondContact ND1-N 3.37Å; H34-I36 PolarHBondContact O-N 3.39Å; I36-G38 VanDerWaalsContact C-N 3.33Å; I36-G38 PolarHBondContact O-N 3.13Å; I36-K90 WeakPolarHBondContact O-CE 3.48Å |
| 37 | S | 95.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -35.9 | 177 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | H34 L39 S94 Y125 E126 | H34-S37 WeakPolarHBondContact CB-OG 3.24Å; H34-S37 PolarHBondContact ND1-N 2.77Å; H34-S37 PolarHBondContact ND1-OG 3Å; S37-L39 PolarHBondContact O-N 3.23Å; S37-L39 PolarHBondContact OG-N 2.94Å; S37-S94 WeakPolarHBondContact O-CB 3.43Å; S37-S94 PolarHBondContact O-OG 3.09Å; S37-Y125 PolarHBondContact OG-O 2.95Å; S37-E126 WeakPolarHBondContact CB-O 3.47Å |
| 38 | G | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | 76.7 | 7.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q33 H34 I36 C91 | Q33-G38 VanDerWaalsContact CG-O 3.26Å; Q33-G38 WeakPolarHBondContact CG-O 3.38Å; Q33-G38 PolarHBondContact NE2-O 2.79Å; H34-G38 WeakPolarHBondContact O-CA 3.5Å; H34-G38 PolarHBondContact O-N 3.42Å; I36-G38 VanDerWaalsContact C-N 3.33Å; I36-G38 PolarHBondContact O-N 3.13Å; G38-C91 VanDerWaalsContact O-CA 3.32Å; G38-C91 WeakPolarHBondContact O-CA 3.17Å; G38-C91 WeakPolarHBondContact O-CB 3.34Å | ||
| 39 | L | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -78.4 | 168.5 | 175.1 | -65.2 | 174.8 | 0 | 0 | 0 | 111.5 | H34 S37 S94 I95 L123 D124 Y125 | H34-L39 PolarHBondContact N-O 3.03Å; S37-L39 PolarHBondContact O-N 3.23Å; S37-L39 PolarHBondContact OG-N 2.94Å; L39-S94 WeakPolarHBondContact CG-OG 3.42Å; L39-I95 HydrophobicContact CD2-CD1 4.49Å; L39-I95 HydrophobicContact CD2-CG1 3.72Å; L39-L123 HydrophobicContact CD1-CB 3.91Å; L39-L123 HydrophobicContact CD1-CD1 4.22Å; L39-D124 WeakPolarHBondContact CD1-O 3.33Å; L39-Y125 HydrophobicContact CB-CD2 4.39Å; L39-Y125 VanDerWaalsContact O-CE2 3.29Å; L39-Y125 WeakPolarHBondContact O-CE2 3.39Å | ||
| 40 | F | 97.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | trans | -115.5 | 140.1 | 175.7 | -63.4 | -92.2 | 0 | 0 | 0 | 110.4 | I29 Q33 S52 S57 C60 C91 L410 | I29-F40 HydrophobicContact CG2-CD1 4.39Å; I29-F40 HydrophobicContact CG2-CE1 3.7Å; I29-F40 HydrophobicContact CG2-CZ 4.17Å; I29-F40 WeakPolarHBondContact O-CE1 3.34Å; Q33-F40 HydrophobicContact CB-CD1 4.19Å; Q33-F40 HydrophobicContact CB-CE1 3.56Å; Q33-F40 HydrophobicContact CB-CZ 3.77Å; Q33-F40 HydrophobicContact CG-CE1 3.97Å; Q33-F40 HydrophobicContact CG-CE2 4.06Å; Q33-F40 HydrophobicContact CG-CZ 3.69Å; F40-S52 WeakPolarHBondContact O-CA 3.31Å; F40-S52 WeakPolarHBondContact O-CB 3.25Å; F40-S52 PolarHBondContact O-OG 3.24Å; F40-S57 PolarHBondContact N-OG 2.83Å; F40-S57 PolarHBondContact O-OG 3.4Å; F40-C60 HydrophobicContact CB-CB 4.31Å; F40-C60 HydrophobicContact CD1-CB 3.9Å; F40-C60 HydrophobicContact CD2-CB 3.35Å; F40-C60 HydrophobicContact CE1-CB 4Å; F40-C60 HydrophobicContact CE2-CB 3.48Å; F40-C60 VanDerWaalsContact CE2-CB 3.48Å; F40-C60 HydrophobicContact CG-CB 3.57Å; F40-C60 HydrophobicContact CZ-CB 3.81Å; F40-C91 HydrophobicContact CE2-CB 4.12Å; F40-L410 HydrophobicContact CB-CD1 4.01Å; F40-L410 HydrophobicContact CD1-CD1 4.27Å | ||
| 41 | P | 95.8 | Very high | 92.6 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 7% | 0.065 | 29% | 0.293 | C | S | . | . | trans | -77.4 | 144.6 | -176.5 | 32.4 | -31.5 | 0 | 0 | 0 | 110 | F32 M43 P44 Y125 | F32-P41 HydrophobicContact CB-CG 4.31Å; F32-P41 VanDerWaalsContact O-CD 3.24Å; F32-P41 WeakPolarHBondContact O-CD 3.38Å; P41-M43 VanDerWaalsContact C-N 3.33Å; P41-M43 PolarHBondContact O-N 3.49Å; P41-P44 HydrophobicContact CG-CB 4.08Å; P41-P44 HydrophobicContact CG-CG 4.17Å; P41-Y125 HydrophobicContact CB-CD1 4.34Å; P41-Y125 HydrophobicContact CB-CD2 3.89Å; P41-Y125 HydrophobicContact CB-CE1 4.31Å; P41-Y125 HydrophobicContact CB-CE2 3.86Å; P41-Y125 HydrophobicContact CB-CG 4.13Å; P41-Y125 HydrophobicContact CG-CD2 4.43Å; P41-Y125 HydrophobicContact CG-CE2 3.91Å; P41-Y125 VanDerWaalsContact N-CE2 3.35Å | ||
| 42 | L | 92.9 | Very high | 92.6 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -66.1 | -37.3 | 177.6 | -176.3 | 66.2 | 0 | 0 | 0 | 112.1 | Y51 H53 D56 | L42-Y51 HydrophobicContact CB-CD2 4.28Å; L42-Y51 HydrophobicContact CB-CE2 4.07Å; L42-Y51 HydrophobicContact CD2-CD2 4.31Å; L42-Y51 HydrophobicContact CD2-CE2 3.47Å; L42-Y51 VanDerWaalsContact CD2-CE2 3.47Å; L42-Y51 HydrophobicContact CG-CE2 4.4Å; L42-Y51 PolarHBondContact N-O 3.04Å; L42-Y51 VanDerWaalsContact N-O 3.11Å; L42-H53 HydrophobicContact CD1-CB 3.89Å; L42-D56 HydrophobicContact CD1-CB 4.49Å |
| 43 | M | 92.5 | Very high | 92.6 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 20% | 0.197 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -123.8 | 84.3 | 179.5 | -68 | 179.1 | -74.1 | 0 | 0 | 110.6 | P41 M45 N46 C49 Y51 | P41-M43 VanDerWaalsContact C-N 3.33Å; P41-M43 PolarHBondContact O-N 3.49Å; M43-M45 PolarHBondContact O-N 2.88Å; M43-M45 VanDerWaalsContact O-N 3.09Å; M43-N46 HydrophobicContact CB-CB 3.9Å; M43-N46 PolarHBondContact O-N 3.47Å; M43-C49 HydrophobicContact CB-CB 4.03Å; M43-C49 HydrophobicContact CE-CB 4.27Å; M43-Y51 HydrophobicContact CE-CE1 4.29Å; M43-Y51 VanDerWaalsContact CE-OH 3.28Å; M43-Y51 WeakPolarHBondContact CE-OH 3.5Å |
| 44 | P | 90.9 | Very high | 92.6 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 14% | 0.143 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.2 | -169.6 | -20.9 | 29.5 | 0 | 0 | 0 | 115.4 | F32 P41 R408 L410 | F32-P44 HydrophobicContact CD1-CB 3.62Å; F32-P44 HydrophobicContact CD2-CB 4.26Å; F32-P44 HydrophobicContact CE1-CB 3.46Å; F32-P44 VanDerWaalsContact CE1-CB 3.46Å; F32-P44 HydrophobicContact CE2-CB 4.11Å; F32-P44 HydrophobicContact CG-CB 3.99Å; F32-P44 HydrophobicContact CZ-CB 3.68Å; P41-P44 HydrophobicContact CG-CB 4.08Å; P41-P44 HydrophobicContact CG-CG 4.17Å; P44-R408 HydrophobicContact CB-CB 4.47Å; P44-R408 VanDerWaalsContact CD-O 3.23Å; P44-R408 WeakPolarHBondContact CD-O 3.31Å; P44-R408 HydrophobicContact CG-CB 4.23Å; P44-L410 HydrophobicContact CG-CD1 3.72Å; P44-L410 HydrophobicContact CG-CD2 3.99Å; P44-L410 HydrophobicContact CG-CG 3.62Å |
| 45 | M | 88.8 | Confident | 92.7 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -7.4 | 179.5 | -64 | -56.2 | -67.5 | 0 | 0 | 113.7 | M43 S407 R408 | M43-M45 PolarHBondContact O-N 2.88Å; M43-M45 VanDerWaalsContact O-N 3.09Å; M45-S407 VanDerWaalsContact CG-OG 3.28Å; M45-S407 WeakPolarHBondContact CG-OG 3.2Å; M45-R408 HydrophobicContact CG-CG 4.43Å; M45-R408 WeakPolarHBondContact SD-CD 3.37Å |
| 46 | N | 87.5 | Confident | 92.8 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | trans | -93.5 | 103.7 | 176.4 | -176.5 | -5.7 | 0 | 0 | 0 | 108.4 | M43 K48 C49 | M43-N46 HydrophobicContact CB-CB 3.9Å; M43-N46 PolarHBondContact O-N 3.47Å; N46-K48 PolarHBondContact O-N 2.83Å; N46-K48 WeakPolarHBondContact OD1-CB 3.33Å; N46-K48 PolarHBondContact OD1-N 3.45Å; N46-C49 HydrophobicContact CB-CB 4.13Å; N46-C49 VanDerWaalsContact O-CB 3.25Å; N46-C49 WeakPolarHBondContact O-CB 3.39Å; N46-C49 PolarHBondContact O-N 3.32Å | ||
| 47 | T | 81.3 | Confident | 92.9 | Very high | 144 Ų | 144 | 40.8 Ų | 40.8 | 88% | 0.883 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -13.8 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 48 | K | 84.7 | Confident | 93.1 | Very high | 178 Ų | 178 | 40.4 Ų | 40.4 | 77% | 0.774 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -8.8 | 173.3 | -59.4 | -177.8 | 177.5 | -178.6 | 0 | 113.4 | N46 R50 | N46-K48 PolarHBondContact O-N 2.83Å; N46-K48 WeakPolarHBondContact OD1-CB 3.33Å; N46-K48 PolarHBondContact OD1-N 3.45Å; K48-R50 PolarHBondContact O-N 3.27Å; K48-R50 VanDerWaalsContact O-N 3.14Å |
| 49 | C | 84.3 | Confident | 93.1 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 9% | 0.088 | 20% | 0.196 | C | C | . | . | trans | -71.3 | 108.5 | 178.6 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | M43 N46 Y51 | M43-C49 HydrophobicContact CB-CB 4.03Å; M43-C49 HydrophobicContact CE-CB 4.27Å; N46-C49 HydrophobicContact CB-CB 4.13Å; N46-C49 VanDerWaalsContact O-CB 3.25Å; N46-C49 WeakPolarHBondContact O-CB 3.39Å; N46-C49 PolarHBondContact O-N 3.32Å; C49-Y51 PolarHBondContact SG-O 3.4Å | ||
| 50 | R | 88.8 | Confident | 93.2 | Very high | 167 Ų | 167 | 40.4 Ų | 40.4 | 63% | 0.63 | 20% | 0.196 | S | C | * | . | trans | -102.9 | 13.9 | 179.1 | -66.9 | -166.5 | 174.1 | -164.8 | -3.7 | 113.8 | K48 Y125 | K48-R50 PolarHBondContact O-N 3.27Å; K48-R50 VanDerWaalsContact O-N 3.14Å; R50-Y125 PolarHBondContact O-N 3.23Å | ||
| 51 | Y | 93.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 22% | 0.216 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.3 | -172.8 | 64 | -89.3 | 0 | 0 | 0 | 113.1 | L42 M43 C49 R122 L123 I131 | L42-Y51 HydrophobicContact CB-CD2 4.28Å; L42-Y51 HydrophobicContact CB-CE2 4.07Å; L42-Y51 HydrophobicContact CD2-CD2 4.31Å; L42-Y51 HydrophobicContact CD2-CE2 3.47Å; L42-Y51 VanDerWaalsContact CD2-CE2 3.47Å; L42-Y51 HydrophobicContact CG-CE2 4.4Å; L42-Y51 PolarHBondContact N-O 3.04Å; L42-Y51 VanDerWaalsContact N-O 3.11Å; M43-Y51 HydrophobicContact CE-CE1 4.29Å; M43-Y51 VanDerWaalsContact CE-OH 3.28Å; M43-Y51 WeakPolarHBondContact CE-OH 3.5Å; C49-Y51 PolarHBondContact SG-O 3.4Å; Y51-R122 HydrophobicContact CD2-CG 4.24Å; Y51-L123 CarbonylContact C-O 3.56Å; Y51-L123 WeakPolarHBondContact CA-O 3.2Å; Y51-I131 HydrophobicContact CG-CD1 4.32Å |
| 52 | S | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 148.4 | 169.5 | 172.1 | 0 | 0 | 0 | 0 | 109.3 | F40 S57 R122 L123 | F40-S52 WeakPolarHBondContact O-CA 3.31Å; F40-S52 WeakPolarHBondContact O-CB 3.25Å; F40-S52 PolarHBondContact O-OG 3.24Å; S52-S57 PolarHBondContact OG-OG 3.23Å; S52-R122 WeakPolarHBondContact O-CA 3.36Å; S52-L123 PolarHBondContact N-O 3.31Å; S52-L123 PolarHBondContact O-N 3.46Å |
| 53 | H | 96.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.9 | 166.1 | -173.6 | -102 | 0 | 0 | 0 | 109 | L42 R55 D56 S57 Y136 Q140 E191 | L42-H53 HydrophobicContact CD1-CB 3.89Å; H53-R55 VanDerWaalsContact CE1-CB 3.43Å; H53-R55 WeakPolarHBondContact CE1-CB 3.48Å; H53-R55 PolarHBondContact CE1-NH1 3.38Å; H53-R55 WeakPolarHBondContact ND1-CB 3.34Å; H53-R55 PolarHBondContact ND1-N 3.02Å; H53-R55 PolarHBondContact O-N 2.99Å; H53-D56 HydrophobicContact CB-CB 4.45Å; H53-D56 IonicContact CG-OD2 3.79Å; H53-D56 IonicContact ND1-OD2 2.7Å; H53-D56 PolarHBondContact ND1-OD2 3.18Å; H53-D56 PolarHBondContact O-N 3.13Å; H53-S57 PolarHBondContact O-N 3.22Å; H53-Y136 PolarHBondContact CD2-OH 2.81Å; H53-Q140 PolarHBondContact NE2-OE1 2.76Å; H53-E191 IonicContact CD2-OE1 2.58Å; H53-E191 IonicContact CE1-OE1 3.24Å; H53-E191 IonicContact NE2-OE1 2.9Å; H53-E191 PolarHBondContact NE2-OE1 3.42Å |
| 54 | V | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | -173.6 | 167.5 | 0 | 0 | 0 | 0 | 111.5 | D56 S57 V58 I95 W99 S121 L123 C143 | V54-D56 VanDerWaalsContact C-N 3.35Å; V54-D56 PolarHBondContact O-N 3.29Å; V54-S57 PolarHBondContact O-N 3.46Å; V54-V58 HydrophobicContact CG1-CG2 4.18Å; V54-V58 VanDerWaalsContact O-CG2 3.28Å; V54-V58 WeakPolarHBondContact O-CG2 2.94Å; V54-V58 PolarHBondContact O-N 3.28Å; V54-I95 HydrophobicContact CG1-CD1 4.26Å; V54-I95 HydrophobicContact CG1-CG2 3.86Å; V54-I95 HydrophobicContact CG2-CG1 4.46Å; V54-I95 HydrophobicContact CG2-CG2 4Å; V54-W99 HydrophobicContact CB-CZ2 4.25Å; V54-W99 HydrophobicContact CG1-CH2 3.82Å; V54-W99 HydrophobicContact CG1-CZ2 3.75Å; V54-W99 HydrophobicContact CG2-CZ2 3.97Å; V54-S121 VanDerWaalsContact CG2-O 3.31Å; V54-S121 WeakPolarHBondContact CG2-O 3.32Å; V54-S121 PolarHBondContact N-O 3.07Å; V54-L123 HydrophobicContact CG2-CD1 4.11Å; V54-L123 HydrophobicContact CG2-CG 4.26Å; V54-C143 VanDerWaalsContact CB-SG 3.6Å; V54-C143 VanDerWaalsContact CG1-SG 3.53Å |
| 55 | R | 97.5 | Very high | 94.3 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.3 | -48.6 | -179.8 | -167.2 | -169.4 | -57.3 | 117.5 | 3.7 | 111.9 | H53 V58 Y59 D142 L146 M189 | H53-R55 VanDerWaalsContact CE1-CB 3.43Å; H53-R55 WeakPolarHBondContact CE1-CB 3.48Å; H53-R55 PolarHBondContact CE1-NH1 3.38Å; H53-R55 WeakPolarHBondContact ND1-CB 3.34Å; H53-R55 PolarHBondContact ND1-N 3.02Å; H53-R55 PolarHBondContact O-N 2.99Å; R55-V58 PolarHBondContact O-N 3.03Å; R55-Y59 HydrophobicContact CG-CD2 4.21Å; R55-Y59 HydrophobicContact CG-CE2 4.02Å; R55-Y59 VanDerWaalsContact O-CD2 3.31Å; R55-Y59 WeakPolarHBondContact O-CD2 2.98Å; R55-Y59 PolarHBondContact O-N 3.1Å; R55-Y59 VanDerWaalsContact O-N 3.12Å; R55-D142 IonicContact CZ-OD2 3.06Å; R55-D142 IonicContact NE-OD2 3.82Å; R55-D142 PolarHBondContact NE-OD2 3.09Å; R55-D142 IonicContact NH2-OD1 3.42Å; R55-D142 IonicContact NH2-OD2 2.58Å; R55-D142 PolarHBondContact NH2-OD2 3.26Å; R55-L146 HydrophobicContact CG-CD2 3.66Å; R55-M189 PolarHBondContact NH1-O 3.29Å; R55-M189 PolarHBondContact NH2-O 3.41Å; R55-M189 VanDerWaalsContact NH2-O 3.08Å |
| 56 | D | 97.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 6% | 0.059 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | -177.8 | -62.7 | -115.9 | 0 | 0 | 0 | 110.9 | L42 H53 V54 V58 Y59 C60 W411 | L42-D56 HydrophobicContact CD1-CB 4.49Å; H53-D56 HydrophobicContact CB-CB 4.45Å; H53-D56 IonicContact CG-OD2 3.79Å; H53-D56 IonicContact ND1-OD2 2.7Å; H53-D56 PolarHBondContact ND1-OD2 3.18Å; H53-D56 PolarHBondContact O-N 3.13Å; V54-D56 VanDerWaalsContact C-N 3.35Å; V54-D56 PolarHBondContact O-N 3.29Å; D56-V58 VanDerWaalsContact C-N 3.35Å; D56-V58 PolarHBondContact O-N 3.2Å; D56-Y59 PolarHBondContact O-N 3.27Å; D56-C60 PolarHBondContact O-N 3.01Å; D56-C60 PolarHBondContact O-SG 2.88Å; D56-W411 HydrophobicContact CB-CB 4.34Å |
| 57 | S | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 175.5 | -79.6 | 0 | 0 | 0 | 0 | 112.9 | F40 S52 H53 V54 C60 A61 C91 | F40-S57 PolarHBondContact N-OG 2.83Å; F40-S57 PolarHBondContact O-OG 3.4Å; S52-S57 PolarHBondContact OG-OG 3.23Å; H53-S57 PolarHBondContact O-N 3.22Å; V54-S57 PolarHBondContact O-N 3.46Å; S57-C60 PolarHBondContact O-N 3.45Å; S57-A61 PolarHBondContact O-N 2.85Å; S57-C91 PolarHBondContact O-SG 3.1Å; S57-C91 VanDerWaalsContact O-SG 3.41Å |
| 58 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.1 | -47.5 | 174.5 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | V54 R55 D56 C60 A61 T62 M92 I95 L146 Y147 Q150 | V54-V58 HydrophobicContact CG1-CG2 4.18Å; V54-V58 VanDerWaalsContact O-CG2 3.28Å; V54-V58 WeakPolarHBondContact O-CG2 2.94Å; V54-V58 PolarHBondContact O-N 3.28Å; R55-V58 PolarHBondContact O-N 3.03Å; D56-V58 VanDerWaalsContact C-N 3.35Å; D56-V58 PolarHBondContact O-N 3.2Å; V58-C60 VanDerWaalsContact C-N 3.31Å; V58-C60 PolarHBondContact O-N 3.3Å; V58-A61 CarbonylContact O-C 3.59Å; V58-A61 WeakPolarHBondContact O-CB 3.29Å; V58-A61 PolarHBondContact O-N 3.36Å; V58-A61 VanDerWaalsContact O-N 3.13Å; V58-T62 PolarHBondContact O-N 3.33Å; V58-T62 PolarHBondContact O-OG1 3.42Å; V58-M92 HydrophobicContact CG2-SD 4.13Å; V58-I95 HydrophobicContact CG2-CD1 3.83Å; V58-L146 HydrophobicContact CB-CD2 4.33Å; V58-L146 HydrophobicContact CG1-CD2 4.15Å; V58-L146 HydrophobicContact CG1-CG 3.93Å; V58-Y147 HydrophobicContact CG2-CD2 3.92Å; V58-Q150 HydrophobicContact CG1-CB 3.86Å; V58-Q150 HydrophobicContact CG1-CG 4.07Å |
| 59 | Y | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 0% | 0.004 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.8 | -35.2 | 177.3 | -80.3 | -66.4 | 0 | 0 | 0 | 113.2 | R55 D56 T62 V63 L146 W271 P272 Y338 W411 S414 V415 | R55-Y59 HydrophobicContact CG-CD2 4.21Å; R55-Y59 HydrophobicContact CG-CE2 4.02Å; R55-Y59 VanDerWaalsContact O-CD2 3.31Å; R55-Y59 WeakPolarHBondContact O-CD2 2.98Å; R55-Y59 PolarHBondContact O-N 3.1Å; R55-Y59 VanDerWaalsContact O-N 3.12Å; D56-Y59 PolarHBondContact O-N 3.27Å; Y59-T62 WeakPolarHBondContact O-CB 3.29Å; Y59-T62 PolarHBondContact O-N 3.17Å; Y59-V63 PolarHBondContact O-N 3.13Å; Y59-V63 VanDerWaalsContact O-N 3.08Å; Y59-L146 HydrophobicContact CD2-CD2 3.91Å; Y59-L146 HydrophobicContact CE1-CD1 4.45Å; Y59-L146 HydrophobicContact CE2-CD1 4.46Å; Y59-L146 HydrophobicContact CE2-CD2 3.41Å; Y59-L146 VanDerWaalsContact CE2-CD2 3.41Å; Y59-W271 HydrophobicContact CD1-CH2 4.24Å; Y59-W271 HydrophobicContact CE1-CH2 4.01Å; Y59-W271 HydrophobicContact CE1-CZ3 4.06Å; Y59-P272 HydrophobicContact CE1-CG 4.46Å; Y59-Y338 WeakPolarHBondContact CE1-OH 3.25Å; Y59-Y338 PolarHBondContact OH-OH 3.36Å; Y59-W411 AromaticContact CD2-CD1 3.16Å; Y59-W411 HydrophobicContact CD2-CD2 4.06Å; Y59-W411 AromaticContact CD2-CE2 3.7Å; Y59-W411 AromaticContact CD2-CG 3.79Å; Y59-W411 HydrophobicContact CD2-CG 3.79Å; Y59-W411 HydrophobicContact CD2-CZ2 4.48Å; Y59-W411 AromaticContact CD2-NE1 3.16Å; Y59-W411 AromaticContact CE2-CD1 3.69Å; Y59-W411 HydrophobicContact CE2-CD2 4.3Å; Y59-W411 AromaticContact CE2-CE2 3.5Å; Y59-W411 HydrophobicContact CE2-CG 4.41Å; Y59-W411 AromaticContact CE2-CZ2 3.88Å; Y59-W411 HydrophobicContact CE2-CZ2 3.88Å; Y59-W411 AromaticContact CE2-NE1 3.12Å; Y59-W411 AromaticContact CG-CD1 3.42Å; Y59-W411 VanDerWaalsContact CG-CD1 3.42Å; Y59-W411 HydrophobicContact CG-CG 4.27Å; Y59-W411 AromaticContact CG-NE1 3.72Å; Y59-W411 AromaticContact CZ-NE1 3.69Å; Y59-S414 WeakPolarHBondContact O-CB 3.42Å; Y59-S414 PolarHBondContact O-OG 2.88Å; Y59-V415 HydrophobicContact CD1-CG2 4.09Å; Y59-V415 HydrophobicContact CE1-CG2 4.32Å |
| 60 | C | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 171.8 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | I29 F40 D56 S57 V58 T62 V63 V64 L410 S414 | I29-C60 HydrophobicContact CG2-CB 4.17Å; F40-C60 HydrophobicContact CB-CB 4.31Å; F40-C60 HydrophobicContact CD1-CB 3.9Å; F40-C60 HydrophobicContact CD2-CB 3.35Å; F40-C60 HydrophobicContact CE1-CB 4Å; F40-C60 HydrophobicContact CE2-CB 3.48Å; F40-C60 VanDerWaalsContact CE2-CB 3.48Å; F40-C60 HydrophobicContact CG-CB 3.57Å; F40-C60 HydrophobicContact CZ-CB 3.81Å; D56-C60 PolarHBondContact O-N 3.01Å; D56-C60 PolarHBondContact O-SG 2.88Å; S57-C60 PolarHBondContact O-N 3.45Å; V58-C60 VanDerWaalsContact C-N 3.31Å; V58-C60 PolarHBondContact O-N 3.3Å; C60-T62 VanDerWaalsContact C-N 3.31Å; C60-T62 PolarHBondContact O-N 3.4Å; C60-V63 WeakPolarHBondContact O-CG1 3.26Å; C60-V64 VanDerWaalsContact O-CG2 3.31Å; C60-V64 WeakPolarHBondContact O-CG2 3.32Å; C60-V64 PolarHBondContact O-N 3.3Å; C60-L410 VanDerWaalsContact SG-CB 3.56Å; C60-S414 WeakPolarHBondContact CA-OG 3.49Å |
| 61 | A | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.008 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63 | -38.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S57 V58 V64 W65 C91 M92 M154 | S57-A61 PolarHBondContact O-N 2.85Å; V58-A61 CarbonylContact O-C 3.59Å; V58-A61 WeakPolarHBondContact O-CB 3.29Å; V58-A61 PolarHBondContact O-N 3.36Å; V58-A61 VanDerWaalsContact O-N 3.13Å; A61-V64 PolarHBondContact O-N 3.21Å; A61-W65 VanDerWaalsContact O-CB 3.3Å; A61-W65 WeakPolarHBondContact O-CB 3.16Å; A61-W65 PolarHBondContact O-N 3.14Å; A61-C91 HydrophobicContact CB-CB 4.06Å; A61-M92 HydrophobicContact CB-CG 4.18Å; A61-M92 HydrophobicContact CB-SD 4.22Å; A61-M154 HydrophobicContact CB-CE 3.94Å |
| 62 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 179.1 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | V58 Y59 C60 W65 A66 Q150 W271 I418 | V58-T62 PolarHBondContact O-N 3.33Å; V58-T62 PolarHBondContact O-OG1 3.42Å; Y59-T62 WeakPolarHBondContact O-CB 3.29Å; Y59-T62 PolarHBondContact O-N 3.17Å; C60-T62 VanDerWaalsContact C-N 3.31Å; C60-T62 PolarHBondContact O-N 3.4Å; T62-W65 HydrophobicContact CG2-CE3 4.26Å; T62-W65 PolarHBondContact O-N 2.85Å; T62-A66 VanDerWaalsContact O-CB 3.31Å; T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 3.3Å; T62-Q150 VanDerWaalsContact OG1-CD 3.24Å; T62-Q150 WeakPolarHBondContact OG1-CG 3.27Å; T62-Q150 PolarHBondContact OG1-OE1 2.88Å; T62-W271 HydrophobicContact CG2-CH2 4.14Å; T62-W271 HydrophobicContact CG2-CZ2 3.72Å; T62-I418 HydrophobicContact CG2-CD1 3.95Å |
| 63 | V | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -68.5 | -37.6 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 112 | V25 I29 Y59 C60 A66 L67 S414 I417 I418 | V25-V63 HydrophobicContact CG2-CG2 4.27Å; I29-V63 HydrophobicContact CG1-CG1 4.17Å; I29-V63 HydrophobicContact CG2-CG1 4.21Å; Y59-V63 PolarHBondContact O-N 3.13Å; Y59-V63 VanDerWaalsContact O-N 3.08Å; C60-V63 WeakPolarHBondContact O-CG1 3.26Å; V63-A66 PolarHBondContact O-N 3.4Å; V63-L67 PolarHBondContact O-N 3.27Å; V63-L67 VanDerWaalsContact O-N 3.08Å; V63-S414 WeakPolarHBondContact CG1-OG 3.37Å; V63-I417 HydrophobicContact CG2-CB 3.82Å; V63-I417 HydrophobicContact CG2-CG2 3.59Å; V63-I418 HydrophobicContact CB-CD1 4.01Å; V63-I418 HydrophobicContact CB-CG1 3.91Å; V63-I418 HydrophobicContact CG2-CG1 3.91Å |
| 64 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 110 | V25 I29 L30 C60 A61 L67 H68 L84 A88 | V25-V64 HydrophobicContact CG1-CG2 4.01Å; I29-V64 HydrophobicContact CG2-CG2 4.11Å; L30-V64 HydrophobicContact CD2-CG1 4.15Å; L30-V64 HydrophobicContact CD2-CG2 3.6Å; L30-V64 HydrophobicContact CG-CG2 4.22Å; C60-V64 VanDerWaalsContact O-CG2 3.31Å; C60-V64 WeakPolarHBondContact O-CG2 3.32Å; C60-V64 PolarHBondContact O-N 3.3Å; A61-V64 PolarHBondContact O-N 3.21Å; V64-L67 PolarHBondContact O-N 3.24Å; V64-H68 PolarHBondContact O-N 3.37Å; V64-L84 HydrophobicContact CG1-CB 4.1Å; V64-L84 HydrophobicContact CG1-CD2 3.97Å; V64-L84 WeakPolarHBondContact CG1-O 3.22Å; V64-A88 HydrophobicContact CG1-CB 4.32Å |
| 65 | W | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 174.6 | 167.5 | 68.4 | 0 | 0 | 0 | 112.9 | A61 T62 L67 H68 Q69 A88 Q153 M154 S157 D431 L432 P434 | A61-W65 VanDerWaalsContact O-CB 3.3Å; A61-W65 WeakPolarHBondContact O-CB 3.16Å; A61-W65 PolarHBondContact O-N 3.14Å; T62-W65 HydrophobicContact CG2-CE3 4.26Å; T62-W65 PolarHBondContact O-N 2.85Å; W65-L67 VanDerWaalsContact C-N 3.28Å; W65-L67 PolarHBondContact O-N 3.15Å; W65-H68 AromaticContact CD1-CD2 3.96Å; W65-H68 WeakPolarHBondContact O-CA 3.23Å; W65-H68 VanDerWaalsContact O-CB 3.24Å; W65-H68 WeakPolarHBondContact O-CB 3.48Å; W65-H68 PolarHBondContact O-N 2.9Å; W65-H68 VanDerWaalsContact O-N 3.08Å; W65-Q69 HydrophobicContact CD2-CG 4.33Å; W65-Q69 HydrophobicContact CZ2-CG 4.06Å; W65-Q69 WeakPolarHBondContact O-CG 3.28Å; W65-Q69 PolarHBondContact O-N 3.01Å; W65-A88 HydrophobicContact CB-CB 4.06Å; W65-Q153 HydrophobicContact CH2-CB 3.97Å; W65-Q153 HydrophobicContact CZ2-CB 4.34Å; W65-M154 HydrophobicContact CB-CE 3.69Å; W65-M154 HydrophobicContact CB-CG 4.38Å; W65-M154 HydrophobicContact CD2-CE 4.39Å; W65-M154 HydrophobicContact CD2-CG 3.88Å; W65-M154 HydrophobicContact CG-CE 4.06Å; W65-M154 HydrophobicContact CG-CG 3.79Å; W65-S157 PolarHBondContact NE1-OG 3.37Å; W65-D431 WeakPolarHBondContact CH2-O 3.29Å; W65-L432 HydrophobicContact CZ3-CD1 4.22Å; W65-P434 HydrophobicContact CH2-CG 4.27Å; W65-P434 HydrophobicContact CZ2-CG 4.17Å |
| 66 | A | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T62 V63 Q69 C70 I418 L427 L432 | T62-A66 VanDerWaalsContact O-CB 3.31Å; T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 3.3Å; V63-A66 PolarHBondContact O-N 3.4Å; A66-Q69 WeakPolarHBondContact O-CB 3.48Å; A66-Q69 PolarHBondContact O-N 3.45Å; A66-C70 PolarHBondContact O-N 2.9Å; A66-C70 PolarHBondContact O-SG 2.62Å; A66-I418 HydrophobicContact CB-CG1 4.4Å; A66-L427 HydrophobicContact CB-CD1 4.13Å; A66-L427 HydrophobicContact CB-CD2 3.95Å; A66-L427 WeakPolarHBondContact O-CD1 3.4Å; A66-L432 HydrophobicContact CB-CD1 4.17Å |
| 67 | L | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.8 | -36.7 | 174.5 | -173.3 | 63.8 | 0 | 0 | 0 | 112.4 | L18 V25 V63 V64 W65 Q69 C70 F71 L84 L421 | L18-L67 HydrophobicContact CD2-CD1 4.16Å; V25-L67 HydrophobicContact CB-CD2 3.97Å; V25-L67 HydrophobicContact CG1-CD2 4.4Å; V25-L67 HydrophobicContact CG2-CD2 3.84Å; V63-L67 PolarHBondContact O-N 3.27Å; V63-L67 VanDerWaalsContact O-N 3.08Å; V64-L67 PolarHBondContact O-N 3.24Å; W65-L67 VanDerWaalsContact C-N 3.28Å; W65-L67 PolarHBondContact O-N 3.15Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 3.2Å; L67-C70 WeakPolarHBondContact O-CB 3.35Å; L67-C70 PolarHBondContact O-N 3Å; L67-F71 HydrophobicContact CD1-CD2 4.13Å; L67-F71 HydrophobicContact CD1-CE2 3.83Å; L67-F71 HydrophobicContact CD2-CE2 4.15Å; L67-F71 HydrophobicContact CG-CD2 3.97Å; L67-F71 HydrophobicContact CG-CE2 3.83Å; L67-F71 WeakPolarHBondContact O-CD2 3.42Å; L67-F71 PolarHBondContact O-N 3.47Å; L67-F71 VanDerWaalsContact O-N 3.12Å; L67-L84 HydrophobicContact CB-CD1 4.12Å; L67-L84 HydrophobicContact CD2-CD1 3.83Å; L67-L84 HydrophobicContact CD2-CD2 4.4Å; L67-L84 HydrophobicContact CG-CD1 3.72Å; L67-L421 HydrophobicContact CD1-CD2 4.14Å |
| 68 | H | 95.7 | Very high | 92.1 | Very high | 17 Ų | 17 | 29 Ų | 29 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.5 | -47.6 | 170.6 | 158.5 | 81.8 | 0 | 0 | 0 | 111.3 | V64 W65 C70 F71 A72 H81 L84 | V64-H68 PolarHBondContact O-N 3.37Å; W65-H68 AromaticContact CD1-CD2 3.96Å; W65-H68 WeakPolarHBondContact O-CA 3.23Å; W65-H68 VanDerWaalsContact O-CB 3.24Å; W65-H68 WeakPolarHBondContact O-CB 3.48Å; W65-H68 PolarHBondContact O-N 2.9Å; W65-H68 VanDerWaalsContact O-N 3.08Å; H68-C70 VanDerWaalsContact C-N 3.28Å; H68-C70 PolarHBondContact O-N 2.75Å; H68-F71 PolarHBondContact O-N 2.89Å; H68-A72 WeakPolarHBondContact O-CB 3.33Å; H68-A72 PolarHBondContact O-N 3.46Å; H68-H81 AromaticContact CE1-ND1 4Å; H68-H81 PolarHBondContact ND1-O 3.27Å; H68-L84 HydrophobicContact CB-CB 3.8Å |
| 69 | Q | 95 | Very high | 91.5 | Very high | 26 Ų | 26 | 30.6 Ų | 30.6 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.3 | -40.1 | 178.6 | -66.7 | -74.2 | 85.7 | 0 | 0 | 111.8 | W65 A66 L67 A72 R73 D431 | W65-Q69 HydrophobicContact CD2-CG 4.33Å; W65-Q69 HydrophobicContact CZ2-CG 4.06Å; W65-Q69 WeakPolarHBondContact O-CG 3.28Å; W65-Q69 PolarHBondContact O-N 3.01Å; A66-Q69 WeakPolarHBondContact O-CB 3.48Å; A66-Q69 PolarHBondContact O-N 3.45Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 3.2Å; Q69-A72 PolarHBondContact O-N 3.43Å; Q69-R73 WeakPolarHBondContact O-CB 2.93Å; Q69-R73 PolarHBondContact O-N 3.46Å; Q69-D431 HydrophobicContact CB-CB 3.92Å; Q69-D431 PolarHBondContact NE2-O 3.47Å |
| 70 | C | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 175.6 | -62.7 | 0 | 0 | 0 | 0 | 112.7 | L18 A66 L67 H68 R73 C426 L427 | L18-C70 HydrophobicContact CD1-CB 4.26Å; L18-C70 HydrophobicContact CD2-CB 3.49Å; L18-C70 VanDerWaalsContact CD2-CB 3.49Å; A66-C70 PolarHBondContact O-N 2.9Å; A66-C70 PolarHBondContact O-SG 2.62Å; L67-C70 WeakPolarHBondContact O-CB 3.35Å; L67-C70 PolarHBondContact O-N 3Å; H68-C70 VanDerWaalsContact C-N 3.28Å; H68-C70 PolarHBondContact O-N 2.75Å; C70-R73 PolarHBondContact O-N 3.38Å; C70-C426 PolarHBondContact SG-O 2.88Å; C70-L427 VanDerWaalsContact SG-CD1 3.53Å |
| 71 | F | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.7 | -37 | 179 | -80 | -75.6 | 0 | 0 | 0 | 112.5 | L18 Y22 L67 H68 R73 I74 N75 D76 H81 L84 | L18-F71 HydrophobicContact CB-CD1 4.39Å; L18-F71 HydrophobicContact CB-CE1 3.74Å; L18-F71 HydrophobicContact CB-CE2 4.15Å; L18-F71 HydrophobicContact CB-CZ 3.61Å; L18-F71 HydrophobicContact CD1-CD1 4.35Å; L18-F71 HydrophobicContact CD1-CE1 4.48Å; L18-F71 WeakPolarHBondContact O-CZ 3.37Å; Y22-F71 HydrophobicContact CD2-CE2 4.15Å; Y22-F71 HydrophobicContact CD2-CZ 4.48Å; Y22-F71 HydrophobicContact CG-CE2 4.42Å; Y22-F71 HydrophobicContact CG-CZ 4.42Å; L67-F71 HydrophobicContact CD1-CD2 4.13Å; L67-F71 HydrophobicContact CD1-CE2 3.83Å; L67-F71 HydrophobicContact CD2-CE2 4.15Å; L67-F71 HydrophobicContact CG-CD2 3.97Å; L67-F71 HydrophobicContact CG-CE2 3.83Å; L67-F71 WeakPolarHBondContact O-CD2 3.42Å; L67-F71 PolarHBondContact O-N 3.47Å; L67-F71 VanDerWaalsContact O-N 3.12Å; H68-F71 PolarHBondContact O-N 2.89Å; F71-R73 VanDerWaalsContact C-N 3.28Å; F71-R73 PolarHBondContact O-N 3.36Å; F71-I74 HydrophobicContact CD1-CD1 4.2Å; F71-I74 VanDerWaalsContact O-CG1 3.24Å; F71-I74 WeakPolarHBondContact O-CG1 2.9Å; F71-I74 PolarHBondContact O-N 3.33Å; F71-N75 PolarHBondContact O-N 3.49Å; F71-D76 HydrophobicContact CB-CB 4.3Å; F71-D76 HydrophobicContact CD1-CB 3.85Å; F71-D76 WeakPolarHBondContact CD1-OD2 2.99Å; F71-D76 PolarHBondContact O-N 3.31Å; F71-H81 HydrophobicContact CB-CB 3.58Å; F71-L84 HydrophobicContact CD2-CD1 3.82Å; F71-L84 HydrophobicContact CE2-CD1 4.17Å |
| 72 | A | 91.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 41 Ų | 41 | 31% | 0.314 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | H68 Q69 I74 N75 H81 | H68-A72 WeakPolarHBondContact O-CB 3.33Å; H68-A72 PolarHBondContact O-N 3.46Å; Q69-A72 PolarHBondContact O-N 3.43Å; A72-I74 VanDerWaalsContact C-N 3.31Å; A72-I74 PolarHBondContact O-N 2.91Å; A72-N75 PolarHBondContact O-N 2.89Å; A72-N75 VanDerWaalsContact O-N 3.09Å; A72-H81 HydrophobicContact CB-CB 4.43Å |
| 73 | R | 89.6 | Confident | 90.4 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 33% | 0.328 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.6 | -33 | 178.3 | -173.9 | 174.2 | 64.7 | -100.1 | 6.8 | 113.7 | Q69 C70 F71 N75 C426 D431 | Q69-R73 WeakPolarHBondContact O-CB 2.93Å; Q69-R73 PolarHBondContact O-N 3.46Å; C70-R73 PolarHBondContact O-N 3.38Å; F71-R73 VanDerWaalsContact C-N 3.28Å; F71-R73 PolarHBondContact O-N 3.36Å; R73-N75 VanDerWaalsContact C-N 3.29Å; R73-C426 PolarHBondContact NH2-O 3.08Å; R73-D431 IonicContact CZ-OD2 3.65Å; R73-D431 IonicContact NH1-OD1 3.57Å; R73-D431 PolarHBondContact NH1-OD1 3.24Å; R73-D431 IonicContact NH1-OD2 2.86Å; R73-D431 PolarHBondContact NH1-OD2 2.8Å; R73-D431 IonicContact NH2-OD2 2.95Å |
| 74 | I | 88.5 | Confident | 90.3 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 30% | 0.297 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 4.9 | 177.3 | 64.4 | 158.8 | 0 | 0 | 0 | 113.1 | L14 L18 F71 A72 D76 | L14-I74 HydrophobicContact CD2-CG2 3.66Å; L14-I74 HydrophobicContact CG-CG2 4.41Å; L18-I74 HydrophobicContact CD1-CD1 3.67Å; L18-I74 HydrophobicContact CD1-CG1 4.17Å; L18-I74 HydrophobicContact CD1-CG2 4.44Å; F71-I74 HydrophobicContact CD1-CD1 4.2Å; F71-I74 VanDerWaalsContact O-CG1 3.24Å; F71-I74 WeakPolarHBondContact O-CG1 2.9Å; F71-I74 PolarHBondContact O-N 3.33Å; A72-I74 VanDerWaalsContact C-N 3.31Å; A72-I74 PolarHBondContact O-N 2.91Å; I74-D76 HydrophobicContact CD1-CB 4.29Å; I74-D76 HydrophobicContact CG1-CB 4.24Å; I74-D76 PolarHBondContact O-N 2.97Å |
| 75 | N | 80.2 | Confident | 90.2 | Very high | 110 Ų | 110 | 44.9 Ų | 44.9 | 59% | 0.588 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 54.9 | -176.8 | -163.5 | 66.4 | 0 | 0 | 0 | 112.5 | F71 A72 R73 D77 | F71-N75 PolarHBondContact O-N 3.49Å; A72-N75 PolarHBondContact O-N 2.89Å; A72-N75 VanDerWaalsContact O-N 3.09Å; R73-N75 VanDerWaalsContact C-N 3.29Å; N75-D77 PolarHBondContact ND2-OD1 3.01Å; N75-D77 PolarHBondContact O-N 3.43Å; N75-D77 VanDerWaalsContact O-N 3.12Å |
| 76 | D | 73.3 | Confident | 90.1 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | trans | -71.5 | 102.2 | -179.7 | 178.6 | 42.3 | 0 | 0 | 0 | 112.3 | F71 I74 E78 R80 H81 | F71-D76 HydrophobicContact CB-CB 4.3Å; F71-D76 HydrophobicContact CD1-CB 3.85Å; F71-D76 WeakPolarHBondContact CD1-OD2 2.99Å; F71-D76 PolarHBondContact O-N 3.31Å; I74-D76 HydrophobicContact CD1-CB 4.29Å; I74-D76 HydrophobicContact CG1-CB 4.24Å; I74-D76 PolarHBondContact O-N 2.97Å; D76-E78 PolarHBondContact O-N 3.09Å; D76-R80 VanDerWaalsContact CG-NH2 3.34Å; D76-R80 IonicContact OD1-CZ 3.48Å; D76-R80 IonicContact OD1-NE 2.69Å; D76-R80 IonicContact OD1-NH2 3.81Å; D76-R80 PolarHBondContact OD1-NH2 3.42Å; D76-R80 IonicContact OD2-CZ 3.14Å; D76-R80 VanDerWaalsContact OD2-CZ 3.26Å; D76-R80 IonicContact OD2-NE 3.69Å; D76-R80 PolarHBondContact OD2-NE 2.97Å; D76-R80 IonicContact OD2-NH2 3.45Å; D76-R80 PolarHBondContact OD2-NH2 2.86Å; D76-R80 VanDerWaalsContact OD2-NH2 3.16Å; D76-H81 PolarHBondContact O-CD2 2.79Å; D76-H81 VanDerWaalsContact O-CD2 3.27Å | ||
| 77 | D | 67.2 | Low | 90.1 | Very high | 139 Ų | 139 | 49.3 Ų | 49.3 | 74% | 0.743 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -2.6 | -177.6 | -60.9 | -33.7 | 0 | 0 | 0 | 114.3 | N75 G79 | N75-D77 PolarHBondContact ND2-OD1 3.01Å; N75-D77 PolarHBondContact O-N 3.43Å; N75-D77 VanDerWaalsContact O-N 3.12Å; D77-G79 PolarHBondContact O-N 3.03Å |
| 78 | E | 82.5 | Confident | 90.2 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 4.7 | 177.1 | -66.8 | 173.8 | -149.7 | 0 | 0 | 113.2 | K15 D76 R80 | K15-E78 IonicContact NZ-OE1 3.78Å; K15-E78 PolarHBondContact NZ-OE1 3.47Å; D76-E78 PolarHBondContact O-N 3.09Å; E78-R80 VanDerWaalsContact C-N 3.27Å; E78-R80 PolarHBondContact O-N 2.92Å; E78-R80 IonicContact OE1-NH2 2.77Å; E78-R80 PolarHBondContact OE1-NH2 3.37Å; E78-R80 IonicContact OE2-CZ 3.65Å; E78-R80 IonicContact OE2-NE 2.6Å; E78-R80 IonicContact OE2-NH1 2.87Å; E78-R80 IonicContact OE2-NH2 3.76Å; E78-R80 PolarHBondContact OE2-NH2 3.33Å |
| 79 | G | 86.1 | Confident | 90.3 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 78.4 | -0.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D77 H81 Y82 E83 | D77-G79 PolarHBondContact O-N 3.03Å; G79-H81 PolarHBondContact O-N 3.24Å; G79-Y82 WeakPolarHBondContact O-CB 3.43Å; G79-Y82 PolarHBondContact O-N 3.42Å; G79-Y82 VanDerWaalsContact O-N 3.13Å; G79-E83 PolarHBondContact O-N 3.35Å |
| 80 | R | 91 | Very high | 90.5 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | -179.3 | -69.3 | 176 | -74.7 | -158.3 | -12.8 | 112.7 | D19 Y22 D76 E78 Y82 E83 L84 | D19-R80 IonicContact OD1-CZ 3.26Å; D19-R80 IonicContact OD1-NH1 3.85Å; D19-R80 PolarHBondContact OD1-NH1 2.91Å; D19-R80 IonicContact OD1-NH2 3.16Å; D19-R80 IonicContact OD2-NH1 3.65Å; Y22-R80 HydrophobicContact CD2-CB 4.3Å; Y22-R80 HydrophobicContact CD2-CG 4.34Å; Y22-R80 HydrophobicContact CE2-CB 4.04Å; Y22-R80 HydrophobicContact CE2-CG 3.94Å; D76-R80 VanDerWaalsContact CG-NH2 3.34Å; D76-R80 IonicContact OD1-CZ 3.48Å; D76-R80 IonicContact OD1-NE 2.69Å; D76-R80 IonicContact OD1-NH2 3.81Å; D76-R80 PolarHBondContact OD1-NH2 3.42Å; D76-R80 IonicContact OD2-CZ 3.14Å; D76-R80 VanDerWaalsContact OD2-CZ 3.26Å; D76-R80 IonicContact OD2-NE 3.69Å; D76-R80 PolarHBondContact OD2-NE 2.97Å; D76-R80 IonicContact OD2-NH2 3.45Å; D76-R80 PolarHBondContact OD2-NH2 2.86Å; D76-R80 VanDerWaalsContact OD2-NH2 3.16Å; E78-R80 VanDerWaalsContact C-N 3.27Å; E78-R80 PolarHBondContact O-N 2.92Å; E78-R80 IonicContact OE1-NH2 2.77Å; E78-R80 PolarHBondContact OE1-NH2 3.37Å; E78-R80 IonicContact OE2-CZ 3.65Å; E78-R80 IonicContact OE2-NE 2.6Å; E78-R80 IonicContact OE2-NH1 2.87Å; E78-R80 IonicContact OE2-NH2 3.76Å; E78-R80 PolarHBondContact OE2-NH2 3.33Å; R80-Y82 VanDerWaalsContact C-N 3.26Å; R80-Y82 PolarHBondContact O-N 3.08Å; R80-E83 PolarHBondContact O-N 2.95Å; R80-L84 VanDerWaalsContact O-CG 3.29Å; R80-L84 WeakPolarHBondContact O-CG 3.35Å; R80-L84 PolarHBondContact O-N 3.34Å |
| 81 | H | 91.6 | Very high | 90.7 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 175.8 | 80.4 | 101.3 | 0 | 0 | 0 | 110 | H68 F71 A72 D76 G79 L84 G85 | H68-H81 AromaticContact CE1-ND1 4Å; H68-H81 PolarHBondContact ND1-O 3.27Å; F71-H81 HydrophobicContact CB-CB 3.58Å; A72-H81 HydrophobicContact CB-CB 4.43Å; D76-H81 PolarHBondContact O-CD2 2.79Å; D76-H81 VanDerWaalsContact O-CD2 3.27Å; G79-H81 PolarHBondContact O-N 3.24Å; H81-L84 PolarHBondContact O-N 2.9Å; H81-G85 PolarHBondContact O-N 3.34Å |
| 82 | Y | 92.7 | Very high | 90.9 | Very high | 145 Ų | 145 | 51.7 Ų | 51.7 | 57% | 0.569 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.3 | -45.9 | 178.8 | -169.4 | -94.2 | 0 | 0 | 0 | 112.4 | G79 R80 L84 G85 Q86 | G79-Y82 WeakPolarHBondContact O-CB 3.43Å; G79-Y82 PolarHBondContact O-N 3.42Å; G79-Y82 VanDerWaalsContact O-N 3.13Å; R80-Y82 VanDerWaalsContact C-N 3.26Å; R80-Y82 PolarHBondContact O-N 3.08Å; Y82-L84 PolarHBondContact O-N 3.19Å; Y82-G85 PolarHBondContact O-N 2.83Å; Y82-Q86 HydrophobicContact CD1-CG 3.91Å; Y82-Q86 HydrophobicContact CE1-CG 3.55Å; Y82-Q86 HydrophobicContact CE2-CG 4.47Å; Y82-Q86 WeakPolarHBondContact O-CG 3.41Å; Y82-Q86 PolarHBondContact O-N 3.12Å |
| 83 | E | 94.2 | Very high | 91.2 | Very high | 78 Ų | 78 | 52.5 Ų | 52.5 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.2 | -51.4 | 174.9 | -179.1 | -167.6 | -179.1 | 0 | 0 | 111.6 | Y22 K26 G79 R80 G85 Q86 S87 | Y22-E83 PolarHBondContact OH-OE1 3.4Å; Y22-E83 PolarHBondContact OH-OE2 3.44Å; K26-E83 IonicContact NZ-OE1 3.02Å; G79-E83 PolarHBondContact O-N 3.35Å; R80-E83 PolarHBondContact O-N 2.95Å; E83-G85 PolarHBondContact O-N 3.08Å; E83-Q86 PolarHBondContact O-N 3.21Å; E83-S87 WeakPolarHBondContact O-CB 3.31Å; E83-S87 PolarHBondContact O-N 3.5Å |
| 84 | L | 96.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 179.6 | -67.1 | 171.5 | 0 | 0 | 0 | 111.6 | Y22 L30 V64 L67 H68 F71 R80 H81 Y82 S87 A88 | Y22-L84 HydrophobicContact CD2-CD1 4.13Å; Y22-L84 HydrophobicContact CD2-CD2 4.33Å; Y22-L84 HydrophobicContact CD2-CG 4.39Å; Y22-L84 HydrophobicContact CE2-CD1 4.49Å; Y22-L84 HydrophobicContact CE2-CD2 4.26Å; Y22-L84 HydrophobicContact CE2-CG 4.3Å; L30-L84 HydrophobicContact CD1-CD2 3.89Å; V64-L84 HydrophobicContact CG1-CB 4.1Å; V64-L84 HydrophobicContact CG1-CD2 3.97Å; V64-L84 WeakPolarHBondContact CG1-O 3.22Å; L67-L84 HydrophobicContact CB-CD1 4.12Å; L67-L84 HydrophobicContact CD2-CD1 3.83Å; L67-L84 HydrophobicContact CD2-CD2 4.4Å; L67-L84 HydrophobicContact CG-CD1 3.72Å; H68-L84 HydrophobicContact CB-CB 3.8Å; F71-L84 HydrophobicContact CD2-CD1 3.82Å; F71-L84 HydrophobicContact CE2-CD1 4.17Å; R80-L84 VanDerWaalsContact O-CG 3.29Å; R80-L84 WeakPolarHBondContact O-CG 3.35Å; R80-L84 PolarHBondContact O-N 3.34Å; H81-L84 PolarHBondContact O-N 2.9Å; Y82-L84 PolarHBondContact O-N 3.19Å; L84-S87 WeakPolarHBondContact O-CB 3.2Å; L84-S87 PolarHBondContact O-N 3.04Å; L84-A88 PolarHBondContact O-N 3.24Å |
| 85 | G | 96.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H81 Y82 E83 S87 A88 V89 | H81-G85 PolarHBondContact O-N 3.34Å; Y82-G85 PolarHBondContact O-N 2.83Å; E83-G85 PolarHBondContact O-N 3.08Å; G85-S87 VanDerWaalsContact C-N 3.33Å; G85-S87 PolarHBondContact O-N 3.48Å; G85-A88 PolarHBondContact O-N 3.39Å; G85-V89 WeakPolarHBondContact O-CG2 3.33Å; G85-V89 PolarHBondContact O-N 3.12Å |
| 86 | Q | 96.9 | Very high | 92.9 | Very high | 79 Ų | 79 | 41 Ų | 41 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.5 | -37.2 | 178 | -68.7 | -56.9 | -36.7 | 0 | 0 | 112.6 | Y82 E83 A88 V89 K90 | Y82-Q86 HydrophobicContact CD1-CG 3.91Å; Y82-Q86 HydrophobicContact CE1-CG 3.55Å; Y82-Q86 HydrophobicContact CE2-CG 4.47Å; Y82-Q86 WeakPolarHBondContact O-CG 3.41Å; Y82-Q86 PolarHBondContact O-N 3.12Å; E83-Q86 PolarHBondContact O-N 3.21Å; Q86-A88 PolarHBondContact O-N 2.87Å; Q86-V89 PolarHBondContact O-N 3.36Å; Q86-K90 WeakPolarHBondContact O-CB 3.24Å; Q86-K90 PolarHBondContact O-N 3.32Å |
| 87 | S | 97.9 | Very high | 94.1 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | L30 Q33 E83 L84 G85 K90 C91 | L30-S87 WeakPolarHBondContact CD2-OG 3.32Å; Q33-S87 PolarHBondContact NE2-O 3.19Å; Q33-S87 PolarHBondContact OE1-OG 3.45Å; E83-S87 WeakPolarHBondContact O-CB 3.31Å; E83-S87 PolarHBondContact O-N 3.5Å; L84-S87 WeakPolarHBondContact O-CB 3.2Å; L84-S87 PolarHBondContact O-N 3.04Å; G85-S87 VanDerWaalsContact C-N 3.33Å; G85-S87 PolarHBondContact O-N 3.48Å; S87-K90 PolarHBondContact O-N 3.24Å; S87-C91 PolarHBondContact O-N 2.75Å |
| 88 | A | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V64 W65 L84 G85 Q86 K90 C91 M92 M154 | V64-A88 HydrophobicContact CG1-CB 4.32Å; W65-A88 HydrophobicContact CB-CB 4.06Å; L84-A88 PolarHBondContact O-N 3.24Å; G85-A88 PolarHBondContact O-N 3.39Å; Q86-A88 PolarHBondContact O-N 2.87Å; A88-K90 VanDerWaalsContact C-N 3.3Å; A88-K90 PolarHBondContact O-N 3.22Å; A88-C91 PolarHBondContact O-N 3.12Å; A88-M92 WeakPolarHBondContact O-CG 3.42Å; A88-M92 PolarHBondContact O-N 2.98Å; A88-M92 VanDerWaalsContact O-N 3.12Å; A88-M154 HydrophobicContact CB-CE 4.5Å |
| 89 | V | 98.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.7 | -45.9 | 175.6 | 169 | 0 | 0 | 0 | 0 | 110.8 | G85 Q86 C91 M92 R93 L159 Q160 I161 | G85-V89 WeakPolarHBondContact O-CG2 3.33Å; G85-V89 PolarHBondContact O-N 3.12Å; Q86-V89 PolarHBondContact O-N 3.36Å; V89-C91 PolarHBondContact O-N 3.36Å; V89-M92 PolarHBondContact O-N 3.4Å; V89-R93 HydrophobicContact CG1-CG 4.08Å; V89-R93 WeakPolarHBondContact O-CB 3.44Å; V89-R93 VanDerWaalsContact O-CG 3.29Å; V89-R93 WeakPolarHBondContact O-CG 3.38Å; V89-R93 PolarHBondContact O-N 3.48Å; V89-L159 HydrophobicContact CG2-CB 3.96Å; V89-L159 HydrophobicContact CG2-CD1 4.11Å; V89-L159 HydrophobicContact CG2-CD2 4.2Å; V89-L159 HydrophobicContact CG2-CG 4.33Å; V89-Q160 WeakPolarHBondContact CG1-O 3.48Å; V89-I161 HydrophobicContact CG1-CG1 4.4Å; V89-I161 HydrophobicContact CG2-CG1 4.02Å |
| 90 | K | 98.2 | Very high | 96.7 | Very high | 89 Ų | 89 | 31.2 Ų | 31.2 | 39% | 0.387 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -59.1 | -46.8 | -178.4 | -166.3 | 175.3 | -179 | 163.4 | 0 | 112.6 | P35 I36 Q86 S87 A88 R93 S94 | P35-K90 WeakPolarHBondContact O-CE 3.36Å; P35-K90 PolarHBondContact O-NZ 2.7Å; I36-K90 WeakPolarHBondContact O-CE 3.48Å; Q86-K90 WeakPolarHBondContact O-CB 3.24Å; Q86-K90 PolarHBondContact O-N 3.32Å; S87-K90 PolarHBondContact O-N 3.24Å; A88-K90 VanDerWaalsContact C-N 3.3Å; A88-K90 PolarHBondContact O-N 3.22Å; K90-R93 PolarHBondContact O-N 3.5Å; K90-S94 PolarHBondContact O-N 3.22Å |
| 91 | C | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -52.6 | 176 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | G38 F40 S57 A61 S87 A88 V89 R93 S94 I95 | G38-C91 VanDerWaalsContact O-CA 3.32Å; G38-C91 WeakPolarHBondContact O-CA 3.17Å; G38-C91 WeakPolarHBondContact O-CB 3.34Å; F40-C91 HydrophobicContact CE2-CB 4.12Å; S57-C91 PolarHBondContact O-SG 3.1Å; S57-C91 VanDerWaalsContact O-SG 3.41Å; A61-C91 HydrophobicContact CB-CB 4.06Å; S87-C91 PolarHBondContact O-N 2.75Å; A88-C91 PolarHBondContact O-N 3.12Å; V89-C91 PolarHBondContact O-N 3.36Å; C91-R93 VanDerWaalsContact C-N 3.28Å; C91-R93 PolarHBondContact O-N 3.39Å; C91-S94 PolarHBondContact O-N 3.21Å; C91-S94 VanDerWaalsContact O-N 3.15Å; C91-I95 PolarHBondContact O-N 3.18Å; C91-I95 VanDerWaalsContact O-N 3.15Å |
| 92 | M | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -34.5 | -177.3 | -68 | -62.2 | -72.8 | 0 | 0 | 112.9 | V58 A61 A88 V89 L96 Y147 Q150 L151 M154 I161 | V58-M92 HydrophobicContact CG2-SD 4.13Å; A61-M92 HydrophobicContact CB-CG 4.18Å; A61-M92 HydrophobicContact CB-SD 4.22Å; A88-M92 WeakPolarHBondContact O-CG 3.42Å; A88-M92 PolarHBondContact O-N 2.98Å; A88-M92 VanDerWaalsContact O-N 3.12Å; V89-M92 PolarHBondContact O-N 3.4Å; M92-L96 PolarHBondContact O-N 3.25Å; M92-L96 VanDerWaalsContact O-N 3.15Å; M92-Y147 HydrophobicContact CE-CD2 3.53Å; M92-Y147 HydrophobicContact CE-CE2 3.37Å; M92-Y147 HydrophobicContact CE-CG 4.31Å; M92-Y147 PolarHBondContact O-OH 3.29Å; M92-Y147 HydrophobicContact SD-CD2 4.17Å; M92-Y147 HydrophobicContact SD-CE2 3.98Å; M92-Q150 HydrophobicContact CE-CB 4.38Å; M92-L151 HydrophobicContact CE-CB 4.12Å; M92-M154 HydrophobicContact CE-SD 4.36Å; M92-M154 HydrophobicContact CG-CE 4.3Å; M92-M154 HydrophobicContact CG-SD 3.62Å; M92-M154 HydrophobicContact SD-SD 4.29Å; M92-I161 HydrophobicContact CB-CD1 4.09Å; M92-I161 HydrophobicContact CB-CG2 4.08Å; M92-I161 HydrophobicContact CG-CD1 4.34Å |
| 93 | R | 98.1 | Very high | 97.4 | Very high | 56 Ų | 56 | 26.7 Ų | 26.7 | 21% | 0.211 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.4 | -39 | 174.5 | -74.8 | -173 | 57.8 | 65.3 | -1.4 | 112.5 | V89 K90 C91 I95 L96 M97 I161 E167 | V89-R93 HydrophobicContact CG1-CG 4.08Å; V89-R93 WeakPolarHBondContact O-CB 3.44Å; V89-R93 VanDerWaalsContact O-CG 3.29Å; V89-R93 WeakPolarHBondContact O-CG 3.38Å; V89-R93 PolarHBondContact O-N 3.48Å; K90-R93 PolarHBondContact O-N 3.5Å; C91-R93 VanDerWaalsContact C-N 3.28Å; C91-R93 PolarHBondContact O-N 3.39Å; R93-I95 VanDerWaalsContact C-N 3.28Å; R93-I95 PolarHBondContact O-N 3.25Å; R93-L96 WeakPolarHBondContact O-CB 3.42Å; R93-L96 PolarHBondContact O-N 3.29Å; R93-L96 VanDerWaalsContact O-N 3.17Å; R93-M97 VanDerWaalsContact NH2-CE 3.3Å; R93-M97 VanDerWaalsContact O-CG 3.29Å; R93-M97 WeakPolarHBondContact O-CG 3.46Å; R93-M97 PolarHBondContact O-N 2.99Å; R93-I161 HydrophobicContact CG-CG2 3.87Å; R93-I161 WeakPolarHBondContact CG-O 3.41Å; R93-I161 PolarHBondContact NH1-O 3.45Å; R93-E167 IonicContact CZ-OE1 2.82Å; R93-E167 IonicContact NH1-OE1 2.79Å; R93-E167 PolarHBondContact NH1-OE1 3.37Å; R93-E167 IonicContact NH2-OE1 2.77Å; R93-E167 PolarHBondContact NH2-OE1 2.92Å |
| 94 | S | 97.9 | Very high | 97.5 | Very high | 14 Ų | 14 | 25.6 Ų | 25.6 | 10% | 0.098 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -36.3 | 176.6 | -173.4 | 0 | 0 | 0 | 0 | 112.4 | S37 L39 K90 C91 M97 G98 | S37-S94 WeakPolarHBondContact O-CB 3.43Å; S37-S94 PolarHBondContact O-OG 3.09Å; L39-S94 WeakPolarHBondContact CG-OG 3.42Å; K90-S94 PolarHBondContact O-N 3.22Å; C91-S94 PolarHBondContact O-N 3.21Å; C91-S94 VanDerWaalsContact O-N 3.15Å; S94-M97 PolarHBondContact O-N 2.77Å; S94-G98 PolarHBondContact O-N 3.47Å |
| 95 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | 171.9 | -63.7 | 164.4 | 0 | 0 | 0 | 110.2 | L39 V54 V58 C91 R93 M97 G98 W99 L123 Y147 | L39-I95 HydrophobicContact CD2-CD1 4.49Å; L39-I95 HydrophobicContact CD2-CG1 3.72Å; V54-I95 HydrophobicContact CG1-CD1 4.26Å; V54-I95 HydrophobicContact CG1-CG2 3.86Å; V54-I95 HydrophobicContact CG2-CG1 4.46Å; V54-I95 HydrophobicContact CG2-CG2 4Å; V58-I95 HydrophobicContact CG2-CD1 3.83Å; C91-I95 PolarHBondContact O-N 3.18Å; C91-I95 VanDerWaalsContact O-N 3.15Å; R93-I95 VanDerWaalsContact C-N 3.28Å; R93-I95 PolarHBondContact O-N 3.25Å; I95-M97 VanDerWaalsContact C-N 3.34Å; I95-M97 PolarHBondContact O-N 3.03Å; I95-G98 PolarHBondContact O-N 2.85Å; I95-W99 HydrophobicContact CG2-CD2 4.14Å; I95-W99 HydrophobicContact CG2-CE3 4.01Å; I95-W99 HydrophobicContact CG2-CH2 4.3Å; I95-W99 HydrophobicContact CG2-CZ2 4.43Å; I95-W99 HydrophobicContact CG2-CZ3 4.09Å; I95-W99 PolarHBondContact O-N 3.17Å; I95-L123 HydrophobicContact CB-CD1 4.48Å; I95-L123 HydrophobicContact CG1-CD1 4.33Å; I95-Y147 HydrophobicContact CB-CD2 4.27Å; I95-Y147 HydrophobicContact CB-CE2 3.78Å; I95-Y147 HydrophobicContact CD1-CD2 4.29Å; I95-Y147 HydrophobicContact CD1-CE2 4.3Å; I95-Y147 HydrophobicContact CG2-CD2 3.68Å; I95-Y147 HydrophobicContact CG2-CE2 3.56Å; I95-Y147 HydrophobicContact CG2-CG 4.48Å |
| 96 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.4 | -48.8 | 176.9 | -176.8 | 57.8 | 0 | 0 | 0 | 111.4 | M92 R93 W99 M100 Y147 V162 E167 F170 V171 | M92-L96 PolarHBondContact O-N 3.25Å; M92-L96 VanDerWaalsContact O-N 3.15Å; R93-L96 WeakPolarHBondContact O-CB 3.42Å; R93-L96 PolarHBondContact O-N 3.29Å; R93-L96 VanDerWaalsContact O-N 3.17Å; L96-W99 PolarHBondContact O-N 3.15Å; L96-M100 HydrophobicContact CD1-CG 4.27Å; L96-M100 HydrophobicContact CD1-SD 4.27Å; L96-M100 HydrophobicContact CG-CG 4.39Å; L96-M100 HydrophobicContact CG-SD 3.95Å; L96-M100 WeakPolarHBondContact O-CB 3.39Å; L96-M100 VanDerWaalsContact O-CG 3.27Å; L96-M100 WeakPolarHBondContact O-CG 3.24Å; L96-M100 PolarHBondContact O-N 2.72Å; L96-Y147 WeakPolarHBondContact CB-OH 3.49Å; L96-V162 HydrophobicContact CD2-CG2 4.28Å; L96-E167 HydrophobicContact CD2-CB 4.27Å; L96-E167 HydrophobicContact CD2-CG 4.02Å; L96-F170 HydrophobicContact CD1-CD1 3.75Å; L96-F170 HydrophobicContact CD1-CE1 4.24Å; L96-V171 HydrophobicContact CD1-CG2 4.12Å |
| 97 | M | 97.4 | Very high | 97.5 | Very high | 69 Ų | 69 | 24.8 Ų | 24.8 | 34% | 0.34 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.9 | -43.9 | -178.8 | -68.7 | -62.5 | 163 | 0 | 0 | 111.9 | R93 S94 I95 W99 M100 Q101 E167 | R93-M97 VanDerWaalsContact NH2-CE 3.3Å; R93-M97 VanDerWaalsContact O-CG 3.29Å; R93-M97 WeakPolarHBondContact O-CG 3.46Å; R93-M97 PolarHBondContact O-N 2.99Å; S94-M97 PolarHBondContact O-N 2.77Å; I95-M97 VanDerWaalsContact C-N 3.34Å; I95-M97 PolarHBondContact O-N 3.03Å; M97-W99 VanDerWaalsContact C-N 3.29Å; M97-W99 PolarHBondContact O-N 3.42Å; M97-M100 PolarHBondContact O-N 3.42Å; M97-M100 HydrophobicContact SD-SD 4.23Å; M97-Q101 WeakPolarHBondContact O-CG 3.34Å; M97-Q101 PolarHBondContact O-N 2.81Å; M97-Q101 VanDerWaalsContact O-N 3.12Å; M97-E167 HydrophobicContact CE-CG 4.5Å; M97-E167 WeakPolarHBondContact CE-OE1 3.45Å |
| 98 | G | 96.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S94 I95 Q102 G128 P130 | S94-G98 PolarHBondContact O-N 3.47Å; I95-G98 PolarHBondContact O-N 2.85Å; G98-Q102 PolarHBondContact O-NE2 3.15Å; G98-G128 VanDerWaalsContact CA-O 3.28Å; G98-G128 WeakPolarHBondContact CA-O 3.5Å; G98-P130 VanDerWaalsContact O-CG 3.24Å; G98-P130 WeakPolarHBondContact O-CG 3.3Å |
| 99 | W | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.7 | -33.3 | 174.7 | -77.7 | -14 | 0 | 0 | 0 | 114 | V54 I95 L96 M97 Q101 Q102 L119 H120 I144 Y147 F170 L174 | V54-W99 HydrophobicContact CB-CZ2 4.25Å; V54-W99 HydrophobicContact CG1-CH2 3.82Å; V54-W99 HydrophobicContact CG1-CZ2 3.75Å; V54-W99 HydrophobicContact CG2-CZ2 3.97Å; I95-W99 HydrophobicContact CG2-CD2 4.14Å; I95-W99 HydrophobicContact CG2-CE3 4.01Å; I95-W99 HydrophobicContact CG2-CH2 4.3Å; I95-W99 HydrophobicContact CG2-CZ2 4.43Å; I95-W99 HydrophobicContact CG2-CZ3 4.09Å; I95-W99 PolarHBondContact O-N 3.17Å; L96-W99 PolarHBondContact O-N 3.15Å; M97-W99 VanDerWaalsContact C-N 3.29Å; M97-W99 PolarHBondContact O-N 3.42Å; W99-Q101 PolarHBondContact O-N 3.46Å; W99-Q102 CarbonylContact O-C 3.53Å; W99-Q102 WeakPolarHBondContact O-CA 3.28Å; W99-Q102 WeakPolarHBondContact O-CB 3.27Å; W99-Q102 PolarHBondContact O-N 3.44Å; W99-L119 HydrophobicContact CD2-CD1 4.31Å; W99-L119 HydrophobicContact CG-CD1 4.33Å; W99-H120 PolarHBondContact NE1-O 2.94Å; W99-I144 HydrophobicContact CH2-CB 4.38Å; W99-I144 HydrophobicContact CH2-CG1 3.88Å; W99-I144 HydrophobicContact CZ2-CG1 4.11Å; W99-Y147 HydrophobicContact CE3-CD1 4.41Å; W99-Y147 HydrophobicContact CH2-CG 4.17Å; W99-Y147 AromaticContact CZ3-CD1 3.64Å; W99-Y147 HydrophobicContact CZ3-CD1 3.64Å; W99-Y147 HydrophobicContact CZ3-CD2 4.3Å; W99-Y147 HydrophobicContact CZ3-CE1 4.22Å; W99-Y147 AromaticContact CZ3-CG 3.69Å; W99-Y147 HydrophobicContact CZ3-CG 3.69Å; W99-F170 HydrophobicContact CB-CE1 3.81Å; W99-F170 HydrophobicContact CB-CZ 3.7Å; W99-F170 WeakPolarHBondContact O-CE2 2.75Å; W99-F170 WeakPolarHBondContact O-CZ 3.42Å; W99-L174 HydrophobicContact CE3-CD1 4.12Å; W99-L174 HydrophobicContact CZ3-CD1 4.26Å |
| 100 | M | 97.6 | Very high | 96.8 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 13% | 0.128 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -32.6 | 174.9 | -77.6 | 178.4 | 74.6 | 0 | 0 | 112.5 | L96 M97 Q102 S103 E167 F170 L517 | L96-M100 HydrophobicContact CD1-CG 4.27Å; L96-M100 HydrophobicContact CD1-SD 4.27Å; L96-M100 HydrophobicContact CG-CG 4.39Å; L96-M100 HydrophobicContact CG-SD 3.95Å; L96-M100 WeakPolarHBondContact O-CB 3.39Å; L96-M100 VanDerWaalsContact O-CG 3.27Å; L96-M100 WeakPolarHBondContact O-CG 3.24Å; L96-M100 PolarHBondContact O-N 2.72Å; M97-M100 PolarHBondContact O-N 3.42Å; M97-M100 HydrophobicContact SD-SD 4.23Å; M100-Q102 PolarHBondContact O-N 3.11Å; M100-S103 WeakPolarHBondContact O-CB 3.27Å; M100-S103 PolarHBondContact O-N 3.01Å; M100-S103 VanDerWaalsContact O-N 3.15Å; M100-E167 HydrophobicContact CE-CG 3.82Å; M100-E167 HydrophobicContact SD-CB 4.36Å; M100-E167 HydrophobicContact SD-CG 3.55Å; M100-E167 VanDerWaalsContact SD-CG 3.55Å; M100-F170 HydrophobicContact CB-CD2 4.35Å; M100-F170 HydrophobicContact CB-CE2 4.42Å; M100-F170 HydrophobicContact CG-CB 4.09Å; M100-F170 HydrophobicContact CG-CD1 3.8Å; M100-F170 HydrophobicContact CG-CD2 3.71Å; M100-F170 HydrophobicContact CG-CE1 4.18Å; M100-F170 HydrophobicContact CG-CE2 4.11Å; M100-F170 HydrophobicContact CG-CG 3.56Å; M100-F170 HydrophobicContact CG-CZ 4.35Å; M100-L517 HydrophobicContact CE-CD1 3.92Å; M100-L517 HydrophobicContact CE-CD2 4.07Å |
| 101 | Q | 96.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 36.1 Ų | 36.1 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.5 | 170.8 | -66.3 | 175.1 | 22.2 | 0 | 0 | 113 | M97 W99 P130 | M97-Q101 WeakPolarHBondContact O-CG 3.34Å; M97-Q101 PolarHBondContact O-N 2.81Å; M97-Q101 VanDerWaalsContact O-N 3.12Å; W99-Q101 PolarHBondContact O-N 3.46Å; Q101-P130 HydrophobicContact CB-CG 4.24Å |
| 102 | Q | 96 | Very high | 95.6 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 20.5 | 177 | -54.9 | 177.6 | 57.1 | 0 | 0 | 112.8 | G98 W99 M100 A104 R105 L106 L119 P130 | G98-Q102 PolarHBondContact O-NE2 3.15Å; W99-Q102 CarbonylContact O-C 3.53Å; W99-Q102 WeakPolarHBondContact O-CA 3.28Å; W99-Q102 WeakPolarHBondContact O-CB 3.27Å; W99-Q102 PolarHBondContact O-N 3.44Å; M100-Q102 PolarHBondContact O-N 3.11Å; Q102-A104 PolarHBondContact O-N 2.72Å; Q102-A104 VanDerWaalsContact O-N 3.14Å; Q102-R105 HydrophobicContact CB-CB 4.42Å; Q102-R105 WeakPolarHBondContact O-CB 3.45Å; Q102-R105 PolarHBondContact O-N 3.28Å; Q102-L106 PolarHBondContact O-N 3.36Å; Q102-L106 VanDerWaalsContact O-N 3.11Å; Q102-L119 HydrophobicContact CB-CD2 3.68Å; Q102-P130 HydrophobicContact CG-CB 3.86Å; Q102-P130 HydrophobicContact CG-CG 3.37Å; Q102-P130 VanDerWaalsContact NE2-CG 3.34Å |
| 103 | S | 97.3 | Very high | 95.2 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.3 | -36.3 | -176.2 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | M100 R105 L106 E107 L517 | M100-S103 WeakPolarHBondContact O-CB 3.27Å; M100-S103 PolarHBondContact O-N 3.01Å; M100-S103 VanDerWaalsContact O-N 3.15Å; S103-R105 PolarHBondContact O-N 3.32Å; S103-L106 WeakPolarHBondContact O-CB 3.42Å; S103-L106 PolarHBondContact O-N 3.38Å; S103-E107 PolarHBondContact O-N 3.41Å; S103-L517 VanDerWaalsContact CB-O 3.24Å; S103-L517 WeakPolarHBondContact CB-O 3.27Å; S103-L517 PolarHBondContact OG-O 3.25Å |
| 104 | A | 96.8 | Very high | 94.6 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 46% | 0.455 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q102 E107 Y108 | Q102-A104 PolarHBondContact O-N 2.72Å; Q102-A104 VanDerWaalsContact O-N 3.14Å; A104-E107 WeakPolarHBondContact O-CB 3.44Å; A104-E107 PolarHBondContact O-N 2.92Å; A104-Y108 HydrophobicContact CB-CE2 4.28Å; A104-Y108 WeakPolarHBondContact O-CD2 3.42Å; A104-Y108 PolarHBondContact O-N 3.12Å |
| 105 | R | 95.9 | Very high | 94.2 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 15% | 0.151 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.1 | -66.8 | -177.4 | 68.4 | 123.2 | -0.6 | 110.9 | Q102 S103 E107 Y108 F109 D116 T117 C118 H120 | Q102-R105 HydrophobicContact CB-CB 4.42Å; Q102-R105 WeakPolarHBondContact O-CB 3.45Å; Q102-R105 PolarHBondContact O-N 3.28Å; S103-R105 PolarHBondContact O-N 3.32Å; R105-E107 VanDerWaalsContact C-N 3.28Å; R105-E107 PolarHBondContact O-N 3.32Å; R105-Y108 PolarHBondContact O-N 2.93Å; R105-F109 WeakPolarHBondContact O-CB 3.42Å; R105-F109 PolarHBondContact O-N 3.15Å; R105-D116 VanDerWaalsContact CZ-O 3.31Å; R105-D116 PolarHBondContact NH2-O 3.3Å; R105-T117 CarbonylContact C-O 3.51Å; R105-T117 VanDerWaalsContact O-O 3.05Å; R105-C118 VanDerWaalsContact CZ-O 3.28Å; R105-C118 PolarHBondContact NE-O 3.23Å; R105-C118 PolarHBondContact NH2-O 3.15Å; R105-H120 VanDerWaalsContact CZ-CD2 3.41Å; R105-H120 PolarHBondContact NH1-NE2 2.7Å; R105-H120 PolarHBondContact NH2-CD2 3.47Å; R105-H120 PolarHBondContact NH2-NE2 3.32Å |
| 106 | L | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.2 | -42.8 | 173.9 | 177.8 | 55.9 | 0 | 0 | 0 | 111.7 | Q102 S103 F109 K110 L119 F170 N173 L174 Y177 L519 | Q102-L106 PolarHBondContact O-N 3.36Å; Q102-L106 VanDerWaalsContact O-N 3.11Å; S103-L106 WeakPolarHBondContact O-CB 3.42Å; S103-L106 PolarHBondContact O-N 3.38Å; L106-F109 PolarHBondContact O-N 2.98Å; L106-K110 PolarHBondContact O-N 3.29Å; L106-L119 HydrophobicContact CB-CD2 4.23Å; L106-L119 HydrophobicContact CD1-CD1 4.44Å; L106-F170 HydrophobicContact CD2-CD2 3.94Å; L106-F170 HydrophobicContact CD2-CE1 4.32Å; L106-F170 HydrophobicContact CD2-CE2 3.46Å; L106-F170 VanDerWaalsContact CD2-CE2 3.46Å; L106-F170 HydrophobicContact CD2-CZ 3.66Å; L106-N173 HydrophobicContact CD1-CB 4.47Å; L106-N173 HydrophobicContact CD2-CB 3.64Å; L106-N173 HydrophobicContact CG-CB 4.07Å; L106-L174 HydrophobicContact CD1-CD2 4.36Å; L106-L174 HydrophobicContact CD2-CD2 4.12Å; L106-Y177 HydrophobicContact CD1-CD2 3.55Å; L106-Y177 HydrophobicContact CD1-CE2 4.44Å; L106-Y177 HydrophobicContact CD1-CG 4.31Å; L106-L519 HydrophobicContact CD2-CD2 4.38Å; L106-L519 HydrophobicContact CG-CD2 4.4Å |
| 107 | E | 96.6 | Very high | 93.4 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -49.2 | 176 | -177.7 | 59.6 | -143.5 | 0 | 0 | 112.1 | S103 A104 R105 F109 K110 L519 S520 | S103-E107 PolarHBondContact O-N 3.41Å; A104-E107 WeakPolarHBondContact O-CB 3.44Å; A104-E107 PolarHBondContact O-N 2.92Å; R105-E107 VanDerWaalsContact C-N 3.28Å; R105-E107 PolarHBondContact O-N 3.32Å; E107-F109 PolarHBondContact O-N 2.95Å; E107-K110 VanDerWaalsContact CD-CE 3.47Å; E107-K110 WeakPolarHBondContact O-CB 3.38Å; E107-K110 PolarHBondContact O-N 3.18Å; E107-K110 IonicContact OE1-NZ 2.7Å; E107-K110 WeakPolarHBondContact OE2-CE 3.39Å; E107-K110 IonicContact OE2-NZ 2.9Å; E107-K110 PolarHBondContact OE2-NZ 3.13Å; E107-L519 HydrophobicContact CB-CD2 4.32Å; E107-L519 WeakPolarHBondContact OE2-CA 3.44Å; E107-S520 VanDerWaalsContact CD-OG 3.29Å; E107-S520 WeakPolarHBondContact OE1-CB 3.34Å; E107-S520 PolarHBondContact OE1-OG 2.99Å; E107-S520 PolarHBondContact OE2-N 2.97Å; E107-S520 PolarHBondContact OE2-OG 2.82Å |
| 108 | Y | 95.4 | Very high | 93.2 | Very high | 148 Ų | 148 | 45 Ų | 45 | 58% | 0.58 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.5 | -38 | 178.4 | -67 | -60.5 | 0 | 0 | 0 | 112.7 | A104 R105 K110 R111 V112 | A104-Y108 HydrophobicContact CB-CE2 4.28Å; A104-Y108 WeakPolarHBondContact O-CD2 3.42Å; A104-Y108 PolarHBondContact O-N 3.12Å; R105-Y108 PolarHBondContact O-N 2.93Å; Y108-K110 PolarHBondContact O-N 2.89Å; Y108-R111 PolarHBondContact O-N 3.38Å; Y108-V112 PolarHBondContact O-N 3.36Å |
| 109 | F | 94.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -33.4 | 179.9 | -170.7 | -93.5 | 0 | 0 | 0 | 112.5 | R105 L106 E107 R111 Q113 T117 C118 L139 M141 Y177 I184 | R105-F109 WeakPolarHBondContact O-CB 3.42Å; R105-F109 PolarHBondContact O-N 3.15Å; L106-F109 PolarHBondContact O-N 2.98Å; E107-F109 PolarHBondContact O-N 2.95Å; F109-R111 PolarHBondContact O-N 3.48Å; F109-Q113 HydrophobicContact CE1-CG 4.34Å; F109-Q113 HydrophobicContact CE2-CB 4.5Å; F109-Q113 HydrophobicContact CZ-CB 4.31Å; F109-Q113 WeakPolarHBondContact O-CG 3.42Å; F109-Q113 PolarHBondContact O-N 3.08Å; F109-Q113 VanDerWaalsContact O-N 3.1Å; F109-T117 WeakPolarHBondContact CB-O 3.01Å; F109-C118 HydrophobicContact CD2-CB 4.07Å; F109-C118 HydrophobicContact CE2-CB 3.92Å; F109-L139 HydrophobicContact CE2-CD1 3.73Å; F109-L139 HydrophobicContact CZ-CD1 3.87Å; F109-M141 HydrophobicContact CZ-SD 4.46Å; F109-Y177 HydrophobicContact CB-CD2 4.22Å; F109-Y177 HydrophobicContact CB-CE2 3.93Å; F109-Y177 HydrophobicContact CD1-CD1 4.24Å; F109-Y177 AromaticContact CD1-CD2 3.13Å; F109-Y177 HydrophobicContact CD1-CD2 3.13Å; F109-Y177 HydrophobicContact CD1-CE1 4.14Å; F109-Y177 AromaticContact CD1-CE2 3.06Å; F109-Y177 HydrophobicContact CD1-CE2 3.06Å; F109-Y177 AromaticContact CD1-CG 3.76Å; F109-Y177 HydrophobicContact CD1-CG 3.76Å; F109-Y177 AromaticContact CD1-CZ 3.59Å; F109-Y177 AromaticContact CD2-CE2 3.82Å; F109-Y177 HydrophobicContact CD2-CE2 3.82Å; F109-Y177 AromaticContact CE1-CD1 3.76Å; F109-Y177 HydrophobicContact CE1-CD1 3.76Å; F109-Y177 AromaticContact CE1-CD2 3.54Å; F109-Y177 HydrophobicContact CE1-CD2 3.54Å; F109-Y177 AromaticContact CE1-CE1 3.52Å; F109-Y177 HydrophobicContact CE1-CE1 3.52Å; F109-Y177 AromaticContact CE1-CE2 3.33Å; F109-Y177 HydrophobicContact CE1-CE2 3.33Å; F109-Y177 AromaticContact CE1-CG 3.75Å; F109-Y177 HydrophobicContact CE1-CG 3.75Å; F109-Y177 AromaticContact CE1-CZ 3.3Å; F109-Y177 HydrophobicContact CE2-CE2 4.05Å; F109-Y177 AromaticContact CE2-CZ 3.8Å; F109-Y177 WeakPolarHBondContact CE2-OH 3.31Å; F109-Y177 AromaticContact CG-CD2 3.77Å; F109-Y177 HydrophobicContact CG-CD2 3.77Å; F109-Y177 AromaticContact CG-CE2 3.3Å; F109-Y177 HydrophobicContact CG-CE2 3.3Å; F109-Y177 AromaticContact CG-CZ 3.93Å; F109-Y177 HydrophobicContact CZ-CD1 4.44Å; F109-Y177 HydrophobicContact CZ-CD2 4.44Å; F109-Y177 AromaticContact CZ-CE1 3.76Å; F109-Y177 HydrophobicContact CZ-CE1 3.76Å; F109-Y177 AromaticContact CZ-CE2 3.81Å; F109-Y177 HydrophobicContact CZ-CE2 3.81Å; F109-Y177 AromaticContact CZ-CZ 3.4Å; F109-Y177 WeakPolarHBondContact CZ-OH 3.34Å; F109-I184 HydrophobicContact CE1-CD1 3.87Å; F109-I184 HydrophobicContact CZ-CD1 3.91Å; F109-I184 HydrophobicContact CZ-CG2 4.29Å |
| 110 | K | 91 | Very high | 93.1 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.3 | -28 | 177.8 | -73.7 | -175.5 | -54.7 | -174.8 | 0 | 113.1 | L106 E107 Y108 Q113 N173 F176 S520 G521 P523 R525 | L106-K110 PolarHBondContact O-N 3.29Å; E107-K110 VanDerWaalsContact CD-CE 3.47Å; E107-K110 WeakPolarHBondContact O-CB 3.38Å; E107-K110 PolarHBondContact O-N 3.18Å; E107-K110 IonicContact OE1-NZ 2.7Å; E107-K110 WeakPolarHBondContact OE2-CE 3.39Å; E107-K110 IonicContact OE2-NZ 2.9Å; E107-K110 PolarHBondContact OE2-NZ 3.13Å; Y108-K110 PolarHBondContact O-N 2.89Å; K110-Q113 PolarHBondContact O-NE2 3.04Å; K110-N173 WeakPolarHBondContact CD-OD1 3.28Å; K110-N173 PolarHBondContact NZ-OD1 2.82Å; K110-F176 HydrophobicContact CD-CB 4.39Å; K110-F176 HydrophobicContact CD-CD2 4.43Å; K110-S520 PolarHBondContact NZ-OG 3.23Å; K110-G521 PolarHBondContact NZ-O 2.96Å; K110-P523 HydrophobicContact CB-CG 3.66Å; K110-P523 HydrophobicContact CD-CG 3.7Å; K110-P523 HydrophobicContact CG-CG 3.96Å; K110-R525 PolarHBondContact O-NH2 3.04Å |
| 111 | R | 85.4 | Confident | 92.9 | Very high | 189 Ų | 189 | 44 Ų | 44 | 71% | 0.713 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -96.3 | -58.1 | 176.9 | -58.7 | -175.2 | -172.4 | -167.3 | 2.4 | 112 | Y108 F109 | Y108-R111 PolarHBondContact O-N 3.38Å; F109-R111 PolarHBondContact O-N 3.48Å |
| 112 | V | 87 | Confident | 92.8 | Very high | 72 Ų | 72 | 40.9 Ų | 40.9 | 44% | 0.436 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -82.6 | -38.2 | -165.7 | -171 | 0 | 0 | 0 | 0 | 113.3 | Y108 N114 T117 | Y108-V112 PolarHBondContact O-N 3.36Å; V112-N114 HydrophobicContact CG1-CB 4.16Å; V112-N114 VanDerWaalsContact CG1-CG 3.48Å; V112-N114 WeakPolarHBondContact CG1-ND2 3.29Å; V112-N114 PolarHBondContact O-N 3.46Å; V112-T117 HydrophobicContact CB-CG2 4.15Å; V112-T117 HydrophobicContact CG2-CG2 4.36Å |
| 113 | Q | 89.3 | Confident | 92.8 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | trans | 57.8 | 44.2 | 174.3 | -57 | 171.2 | 8.1 | 0 | 0 | 114.5 | F109 K110 R183 I184 | F109-Q113 HydrophobicContact CE1-CG 4.34Å; F109-Q113 HydrophobicContact CE2-CB 4.5Å; F109-Q113 HydrophobicContact CZ-CB 4.31Å; F109-Q113 WeakPolarHBondContact O-CG 3.42Å; F109-Q113 PolarHBondContact O-N 3.08Å; F109-Q113 VanDerWaalsContact O-N 3.1Å; K110-Q113 PolarHBondContact O-NE2 3.04Å; Q113-R183 VanDerWaalsContact NE2-NH2 3.19Å; Q113-I184 HydrophobicContact CB-CD1 4Å; Q113-I184 HydrophobicContact CB-CG1 4.12Å; Q113-I184 HydrophobicContact CG-CD1 4Å; Q113-I184 HydrophobicContact CG-CG1 4.48Å | ||
| 114 | N | 86.6 | Confident | 92.8 | Very high | 50 Ų | 50 | 41.6 Ų | 41.6 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -127.5 | -179.5 | -177.1 | 73.8 | -6 | 0 | 0 | 0 | 112.7 | V112 D116 T117 C118 | V112-N114 HydrophobicContact CG1-CB 4.16Å; V112-N114 VanDerWaalsContact CG1-CG 3.48Å; V112-N114 WeakPolarHBondContact CG1-ND2 3.29Å; V112-N114 PolarHBondContact O-N 3.46Å; N114-D116 PolarHBondContact ND2-OD2 3.13Å; N114-D116 PolarHBondContact O-N 2.8Å; N114-D116 PolarHBondContact OD1-N 2.84Å; N114-T117 PolarHBondContact N-OG1 3.49Å; N114-T117 PolarHBondContact O-N 2.65Å; N114-T117 PolarHBondContact O-OG1 3.29Å; N114-T117 WeakPolarHBondContact OD1-CB 3.42Å; N114-T117 WeakPolarHBondContact OD1-CG2 3.46Å; N114-T117 PolarHBondContact OD1-N 3.26Å; N114-T117 VanDerWaalsContact OD1-N 3.1Å; N114-T117 PolarHBondContact OD1-OG1 2.58Å; N114-C118 WeakPolarHBondContact O-CB 3.45Å; N114-C118 PolarHBondContact O-N 3.08Å; N114-C118 VanDerWaalsContact O-N 3.15Å |
| 115 | L | 88 | Confident | 92.8 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 20% | 0.199 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -42.4 | 179.5 | -179.8 | 59.7 | 0 | 0 | 0 | 112.6 | T117 C118 N138 L139 Y187 | L115-T117 PolarHBondContact O-N 3.08Å; L115-C118 PolarHBondContact O-N 3.26Å; L115-C118 PolarHBondContact O-SG 3.14Å; L115-N138 HydrophobicContact CD1-CB 4.43Å; L115-L139 HydrophobicContact CD1-CB 4.07Å; L115-Y187 HydrophobicContact CD1-CE2 3.95Å; L115-Y187 HydrophobicContact CD2-CE2 4.32Å |
| 116 | D | 88.4 | Confident | 92.7 | Very high | 119 Ų | 119 | 43.4 Ų | 43.4 | 64% | 0.636 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -26.6 | -174.9 | -46.8 | -40.5 | 0 | 0 | 0 | 113.1 | R105 N114 | R105-D116 VanDerWaalsContact CZ-O 3.31Å; R105-D116 PolarHBondContact NH2-O 3.3Å; N114-D116 PolarHBondContact ND2-OD2 3.13Å; N114-D116 PolarHBondContact O-N 2.8Å; N114-D116 PolarHBondContact OD1-N 2.84Å |
| 117 | T | 91.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -8.8 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | R105 F109 V112 N114 L115 | R105-T117 CarbonylContact C-O 3.51Å; R105-T117 VanDerWaalsContact O-O 3.05Å; F109-T117 WeakPolarHBondContact CB-O 3.01Å; V112-T117 HydrophobicContact CB-CG2 4.15Å; V112-T117 HydrophobicContact CG2-CG2 4.36Å; N114-T117 PolarHBondContact N-OG1 3.49Å; N114-T117 PolarHBondContact O-N 2.65Å; N114-T117 PolarHBondContact O-OG1 3.29Å; N114-T117 WeakPolarHBondContact OD1-CB 3.42Å; N114-T117 WeakPolarHBondContact OD1-CG2 3.46Å; N114-T117 PolarHBondContact OD1-N 3.26Å; N114-T117 VanDerWaalsContact OD1-N 3.1Å; N114-T117 PolarHBondContact OD1-OG1 2.58Å; L115-T117 PolarHBondContact O-N 3.08Å |
| 118 | C | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -65.6 | 158 | -177.7 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | R105 F109 N114 L115 N138 L139 Y177 | R105-C118 VanDerWaalsContact CZ-O 3.28Å; R105-C118 PolarHBondContact NE-O 3.23Å; R105-C118 PolarHBondContact NH2-O 3.15Å; F109-C118 HydrophobicContact CD2-CB 4.07Å; F109-C118 HydrophobicContact CE2-CB 3.92Å; N114-C118 WeakPolarHBondContact O-CB 3.45Å; N114-C118 PolarHBondContact O-N 3.08Å; N114-C118 VanDerWaalsContact O-N 3.15Å; L115-C118 PolarHBondContact O-N 3.26Å; L115-C118 PolarHBondContact O-SG 3.14Å; C118-N138 WeakPolarHBondContact SG-CB 3.47Å; C118-L139 HydrophobicContact CB-CB 4.12Å; C118-L139 HydrophobicContact CB-CD1 3.72Å; C118-L139 HydrophobicContact CB-CG 4.49Å; C118-L139 PolarHBondContact SG-N 3.36Å; C118-L139 VanDerWaalsContact SG-N 3.44Å; C118-Y177 WeakPolarHBondContact CB-OH 3.49Å |
| 119 | L | 95.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 138.4 | 171.4 | -72.8 | 175.1 | 0 | 0 | 0 | 110.1 | W99 Q102 L106 I144 L174 Y177 | W99-L119 HydrophobicContact CD2-CD1 4.31Å; W99-L119 HydrophobicContact CG-CD1 4.33Å; Q102-L119 HydrophobicContact CB-CD2 3.68Å; L106-L119 HydrophobicContact CB-CD2 4.23Å; L106-L119 HydrophobicContact CD1-CD1 4.44Å; L119-I144 HydrophobicContact CD1-CD1 4.42Å; L119-L174 HydrophobicContact CD1-CD2 3.45Å; L119-L174 VanDerWaalsContact CD1-CD2 3.45Å; L119-Y177 HydrophobicContact CD1-CE2 4.46Å; L119-Y177 HydrophobicContact CG-CE2 4.23Å |
| 120 | H | 94.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 130.3 | 177.4 | -73.7 | -157.5 | 0 | 0 | 0 | 111.2 | W99 R105 I131 Y132 N138 | W99-H120 PolarHBondContact NE1-O 2.94Å; R105-H120 VanDerWaalsContact CZ-CD2 3.41Å; R105-H120 PolarHBondContact NH1-NE2 2.7Å; R105-H120 PolarHBondContact NH2-CD2 3.47Å; R105-H120 PolarHBondContact NH2-NE2 3.32Å; H120-I131 PolarHBondContact ND1-O 3.16Å; H120-Y132 AromaticContact CE1-CD1 3.69Å; H120-Y132 AromaticContact ND1-CD1 3.92Å; H120-N138 VanDerWaalsContact CA-OD1 3.25Å; H120-N138 WeakPolarHBondContact CA-OD1 3.49Å |
| 121 | S | 93.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -84.5 | -12.2 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | V54 N138 Q140 | V54-S121 VanDerWaalsContact CG2-O 3.31Å; V54-S121 WeakPolarHBondContact CG2-O 3.32Å; V54-S121 PolarHBondContact N-O 3.07Å; S121-N138 PolarHBondContact N-OD1 3.23Å; S121-N138 PolarHBondContact OG-O 3.43Å; S121-Q140 PolarHBondContact OG-OE1 3.33Å |
| 122 | R | 95.2 | Very high | 92.8 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 15% | 0.151 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.4 | 175.2 | -74.5 | -179.6 | -178.3 | 179.3 | 1.3 | 111.1 | Y51 S52 I131 Y136 | Y51-R122 HydrophobicContact CD2-CG 4.24Å; S52-R122 WeakPolarHBondContact O-CA 3.36Å; R122-I131 HydrophobicContact CB-CB 4.44Å; R122-I131 PolarHBondContact O-N 2.74Å; R122-Y136 HydrophobicContact CB-CE1 4.41Å; R122-Y136 HydrophobicContact CG-CD1 4.15Å; R122-Y136 HydrophobicContact CG-CE1 3.56Å; R122-Y136 VanDerWaalsContact CZ-CD2 3.4Å; R122-Y136 VanDerWaalsContact CZ-CZ 3.43Å; R122-Y136 VanDerWaalsContact NE-CE2 3.3Å; R122-Y136 PolarHBondContact NE-OH 2.92Å |
| 123 | L | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.2 | 175.9 | -57.7 | 178.5 | 0 | 0 | 0 | 109 | L39 Y51 S52 V54 I95 Y125 E129 | L39-L123 HydrophobicContact CD1-CB 3.91Å; L39-L123 HydrophobicContact CD1-CD1 4.22Å; Y51-L123 CarbonylContact C-O 3.56Å; Y51-L123 WeakPolarHBondContact CA-O 3.2Å; S52-L123 PolarHBondContact N-O 3.31Å; S52-L123 PolarHBondContact O-N 3.46Å; V54-L123 HydrophobicContact CG2-CD1 4.11Å; V54-L123 HydrophobicContact CG2-CG 4.26Å; I95-L123 HydrophobicContact CB-CD1 4.48Å; I95-L123 HydrophobicContact CG1-CD1 4.33Å; L123-Y125 PolarHBondContact O-N 3.44Å; L123-E129 CarbonylContact C-O 3.5Å; L123-E129 WeakPolarHBondContact CA-O 3.48Å |
| 124 | D | 96.4 | Very high | 92.2 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.193 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 130 | 170.8 | -174.1 | -79.7 | 0 | 0 | 0 | 109.4 | L39 E126 T127 G128 E129 I131 | L39-D124 WeakPolarHBondContact CD1-O 3.33Å; D124-E126 VanDerWaalsContact C-N 3.29Å; D124-E126 PolarHBondContact O-N 2.75Å; D124-E126 WeakPolarHBondContact OD1-CA 3.4Å; D124-E126 PolarHBondContact OD1-N 2.91Å; D124-T127 WeakPolarHBondContact CB-OG1 3.39Å; D124-T127 PolarHBondContact OD1-N 3.03Å; D124-T127 PolarHBondContact OD1-OG1 3.43Å; D124-G128 WeakPolarHBondContact O-CA 3.35Å; D124-G128 PolarHBondContact O-N 3.35Å; D124-E129 PolarHBondContact N-O 2.86Å; D124-I131 HydrophobicContact CB-CD1 4.47Å; D124-I131 HydrophobicContact CB-CG1 4.34Å |
| 125 | Y | 95.8 | Very high | 92 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -34.8 | -174.8 | 170.3 | -119.5 | 0 | 0 | 0 | 111.7 | F32 H34 S37 L39 P41 R50 L123 | F32-Y125 PolarHBondContact O-OH 3.26Å; H34-Y125 HydrophobicContact CB-CD2 4.18Å; H34-Y125 HydrophobicContact CB-CE1 4.24Å; H34-Y125 HydrophobicContact CB-CE2 3.63Å; H34-Y125 WeakPolarHBondContact CB-O 3.34Å; H34-Y125 AromaticContact CD2-CE1 3.86Å; S37-Y125 PolarHBondContact OG-O 2.95Å; L39-Y125 HydrophobicContact CB-CD2 4.39Å; L39-Y125 VanDerWaalsContact O-CE2 3.29Å; L39-Y125 WeakPolarHBondContact O-CE2 3.39Å; P41-Y125 HydrophobicContact CB-CD1 4.34Å; P41-Y125 HydrophobicContact CB-CD2 3.89Å; P41-Y125 HydrophobicContact CB-CE1 4.31Å; P41-Y125 HydrophobicContact CB-CE2 3.86Å; P41-Y125 HydrophobicContact CB-CG 4.13Å; P41-Y125 HydrophobicContact CG-CD2 4.43Å; P41-Y125 HydrophobicContact CG-CE2 3.91Å; P41-Y125 VanDerWaalsContact N-CE2 3.35Å; R50-Y125 PolarHBondContact O-N 3.23Å; L123-Y125 PolarHBondContact O-N 3.44Å |
| 126 | E | 94.7 | Very high | 91.9 | Very high | 95 Ų | 95 | 53.5 Ų | 53.5 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -47 | -174.8 | -62 | -176.7 | -173.8 | 0 | 0 | 111.5 | H34 S37 D124 | H34-E126 VanDerWaalsContact CE1-CA 3.46Å; H34-E126 WeakPolarHBondContact CE1-CA 3.5Å; H34-E126 PolarHBondContact CE1-O 3.28Å; H34-E126 VanDerWaalsContact CE1-O 3.25Å; H34-E126 PolarHBondContact ND1-O 3.29Å; H34-E126 VanDerWaalsContact ND1-O 3.13Å; S37-E126 WeakPolarHBondContact CB-O 3.47Å; D124-E126 VanDerWaalsContact C-N 3.29Å; D124-E126 PolarHBondContact O-N 2.75Å; D124-E126 WeakPolarHBondContact OD1-CA 3.4Å; D124-E126 PolarHBondContact OD1-N 2.91Å |
| 127 | T | 95.2 | Very high | 91.9 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -26.1 | -173.1 | 72.3 | 0 | 0 | 0 | 0 | 113.5 | D124 E129 | D124-T127 WeakPolarHBondContact CB-OG1 3.39Å; D124-T127 PolarHBondContact OD1-N 3.03Å; D124-T127 PolarHBondContact OD1-OG1 3.43Å; T127-E129 WeakPolarHBondContact OG1-CB 3.21Å; T127-E129 VanDerWaalsContact OG1-CG 3.31Å; T127-E129 WeakPolarHBondContact OG1-CG 3.31Å; T127-E129 PolarHBondContact OG1-N 3.45Å; T127-E129 PolarHBondContact OG1-OE2 3.09Å |
| 128 | G | 94.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | trans | 76.7 | 7.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G98 D124 | G98-G128 VanDerWaalsContact CA-O 3.28Å; G98-G128 WeakPolarHBondContact CA-O 3.5Å; D124-G128 WeakPolarHBondContact O-CA 3.35Å; D124-G128 PolarHBondContact O-N 3.35Å | ||
| 129 | E | 95.7 | Very high | 91.9 | Very high | 105 Ų | 105 | 48.5 Ų | 48.5 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -74 | 151.7 | 178.4 | -66.1 | 176 | 149 | 0 | 0 | 111.7 | L123 D124 T127 I131 | L123-E129 CarbonylContact C-O 3.5Å; L123-E129 WeakPolarHBondContact CA-O 3.48Å; D124-E129 PolarHBondContact N-O 2.86Å; T127-E129 WeakPolarHBondContact OG1-CB 3.21Å; T127-E129 VanDerWaalsContact OG1-CG 3.31Å; T127-E129 WeakPolarHBondContact OG1-CG 3.31Å; T127-E129 PolarHBondContact OG1-N 3.45Å; T127-E129 PolarHBondContact OG1-OE2 3.09Å; E129-I131 PolarHBondContact O-N 2.58Å |
| 130 | P | 93.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -59.8 | 135.9 | 174.5 | -22.9 | 33.9 | 0 | 0 | 0 | 112.8 | G98 Q101 Q102 Y132 | G98-P130 VanDerWaalsContact O-CG 3.24Å; G98-P130 WeakPolarHBondContact O-CG 3.3Å; Q101-P130 HydrophobicContact CB-CG 4.24Å; Q102-P130 HydrophobicContact CG-CB 3.86Å; Q102-P130 HydrophobicContact CG-CG 3.37Å; Q102-P130 VanDerWaalsContact NE2-CG 3.34Å; P130-Y132 HydrophobicContact CB-CE1 4.49Å; P130-Y132 HydrophobicContact CB-CE2 3.9Å |
| 131 | I | 93.5 | Very high | 92 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -95 | 118.3 | 171.3 | -65.5 | 170 | 0 | 0 | 0 | 109 | Y51 H120 R122 D124 E129 D133 | Y51-I131 HydrophobicContact CG-CD1 4.32Å; H120-I131 PolarHBondContact ND1-O 3.16Å; R122-I131 HydrophobicContact CB-CB 4.44Å; R122-I131 PolarHBondContact O-N 2.74Å; D124-I131 HydrophobicContact CB-CD1 4.47Å; D124-I131 HydrophobicContact CB-CG1 4.34Å; E129-I131 PolarHBondContact O-N 2.58Å; I131-D133 PolarHBondContact O-N 3.06Å |
| 132 | Y | 88.7 | Confident | 92.2 | Very high | 136 Ų | 136 | 48.2 Ų | 48.2 | 53% | 0.533 | 23% | 0.232 | S | C | . | . | trans | -90 | 103.5 | 176.6 | -59.3 | -83.9 | 0 | 0 | 0 | 110.4 | H120 P130 | H120-Y132 AromaticContact CE1-CD1 3.69Å; H120-Y132 AromaticContact ND1-CD1 3.92Å; P130-Y132 HydrophobicContact CB-CE1 4.49Å; P130-Y132 HydrophobicContact CB-CE2 3.9Å | ||
| 133 | D | 85.6 | Confident | 92.3 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 32% | 0.316 | 23% | 0.225 | S | C | . | . | trans | -129.4 | 105.4 | 172.9 | 177.4 | 0.7 | 0 | 0 | 0 | 108 | I131 H135 Y136 | I131-D133 PolarHBondContact O-N 3.06Å; D133-H135 PolarHBondContact O-N 3.17Å; D133-H135 WeakPolarHBondContact OD1-CB 3.3Å; D133-H135 PolarHBondContact OD1-N 2.79Å; D133-Y136 PolarHBondContact O-N 2.87Å | ||
| 134 | D | 77.1 | Confident | 92.3 | Very high | 138 Ų | 138 | 46.5 Ų | 46.5 | 74% | 0.738 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.7 | -176.2 | -64.5 | -24 | 0 | 0 | 0 | 112.7 | ||
| 135 | H | 82.1 | Confident | 92.4 | Very high | 174 Ų | 174 | 44.8 Ų | 44.8 | 81% | 0.806 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -12.7 | 176.3 | -59.4 | -57.2 | 0 | 0 | 0 | 112.7 | D133 | D133-H135 PolarHBondContact O-N 3.17Å; D133-H135 WeakPolarHBondContact OD1-CB 3.3Å; D133-H135 PolarHBondContact OD1-N 2.79Å |
| 136 | Y | 86.8 | Confident | 92.5 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -84.6 | 137.3 | -178.4 | -173.4 | -115 | 0 | 0 | 0 | 112.5 | H53 R122 D133 N138 E191 | H53-Y136 PolarHBondContact CD2-OH 2.81Å; R122-Y136 HydrophobicContact CB-CE1 4.41Å; R122-Y136 HydrophobicContact CG-CD1 4.15Å; R122-Y136 HydrophobicContact CG-CE1 3.56Å; R122-Y136 VanDerWaalsContact CZ-CD2 3.4Å; R122-Y136 VanDerWaalsContact CZ-CZ 3.43Å; R122-Y136 VanDerWaalsContact NE-CE2 3.3Å; R122-Y136 PolarHBondContact NE-OH 2.92Å; D133-Y136 PolarHBondContact O-N 2.87Å; Y136-N138 VanDerWaalsContact CD1-OD1 3.27Å; Y136-N138 WeakPolarHBondContact CD1-OD1 3.31Å; Y136-N138 PolarHBondContact O-N 3.26Å; Y136-N138 PolarHBondContact O-ND2 3.42Å; Y136-E191 VanDerWaalsContact CE2-OE2 3.3Å; Y136-E191 WeakPolarHBondContact CE2-OE2 3.14Å; Y136-E191 PolarHBondContact OH-OE1 3.44Å; Y136-E191 PolarHBondContact OH-OE2 2.99Å |
| 137 | K | 89.1 | Confident | 92.7 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 10% | 0.1 | 19% | 0.189 | C | C | . | . | trans | -82.2 | 63.1 | -171.5 | -69.8 | 169.7 | 179 | 167.6 | 0 | 111.5 | L139 Y187 E191 N197 | K137-L139 VanDerWaalsContact C-N 3.3Å; K137-L139 PolarHBondContact O-N 3.44Å; K137-Y187 HydrophobicContact CB-CD1 3.84Å; K137-Y187 HydrophobicContact CB-CD2 3.7Å; K137-Y187 HydrophobicContact CB-CE1 4.16Å; K137-Y187 HydrophobicContact CB-CE2 4.06Å; K137-Y187 HydrophobicContact CB-CG 3.59Å; K137-Y187 HydrophobicContact CD-CD1 3.61Å; K137-Y187 HydrophobicContact CD-CE1 3.72Å; K137-Y187 HydrophobicContact CD-CG 4.25Å; K137-Y187 HydrophobicContact CG-CD1 3.71Å; K137-Y187 HydrophobicContact CG-CD2 4.22Å; K137-Y187 HydrophobicContact CG-CE1 3.62Å; K137-Y187 HydrophobicContact CG-CE2 4.17Å; K137-Y187 HydrophobicContact CG-CG 4.01Å; K137-E191 HydrophobicContact CB-CB 4.5Å; K137-E191 WeakPolarHBondContact CD-O 3.24Å; K137-N197 PolarHBondContact NZ-O 2.88Å; K137-N197 VanDerWaalsContact NZ-O 3.14Å; K137-N197 PolarHBondContact NZ-OD1 2.89Å | ||
| 138 | N | 91.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | -65.5 | -25 | -173 | -78.4 | -68.7 | 0 | 0 | 0 | 114.4 | L115 C118 H120 S121 Y136 Q140 | L115-N138 HydrophobicContact CD1-CB 4.43Å; C118-N138 WeakPolarHBondContact SG-CB 3.47Å; H120-N138 VanDerWaalsContact CA-OD1 3.25Å; H120-N138 WeakPolarHBondContact CA-OD1 3.49Å; S121-N138 PolarHBondContact N-OD1 3.23Å; S121-N138 PolarHBondContact OG-O 3.43Å; Y136-N138 VanDerWaalsContact CD1-OD1 3.27Å; Y136-N138 WeakPolarHBondContact CD1-OD1 3.31Å; Y136-N138 PolarHBondContact O-N 3.26Å; Y136-N138 PolarHBondContact O-ND2 3.42Å; N138-Q140 PolarHBondContact O-N 3Å | ||
| 139 | L | 94.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | trans | -69.7 | 95.5 | -177.5 | -178.1 | 57.1 | 0 | 0 | 0 | 110.8 | F109 L115 C118 K137 M141 I184 P185 D186 Y187 | F109-L139 HydrophobicContact CE2-CD1 3.73Å; F109-L139 HydrophobicContact CZ-CD1 3.87Å; L115-L139 HydrophobicContact CD1-CB 4.07Å; C118-L139 HydrophobicContact CB-CB 4.12Å; C118-L139 HydrophobicContact CB-CD1 3.72Å; C118-L139 HydrophobicContact CB-CG 4.49Å; C118-L139 PolarHBondContact SG-N 3.36Å; C118-L139 VanDerWaalsContact SG-N 3.44Å; K137-L139 VanDerWaalsContact C-N 3.3Å; K137-L139 PolarHBondContact O-N 3.44Å; L139-M141 HydrophobicContact CD1-SD 4.43Å; L139-I184 HydrophobicContact CD1-CG2 4.28Å; L139-I184 HydrophobicContact CD2-CG2 4.35Å; L139-P185 WeakPolarHBondContact CD2-O 3.47Å; L139-D186 HydrophobicContact CG-CB 4.02Å; L139-D186 WeakPolarHBondContact O-CB 3.37Å; L139-Y187 HydrophobicContact CB-CD2 4.03Å; L139-Y187 HydrophobicContact CB-CE2 4.22Å; L139-Y187 PolarHBondContact O-N 2.77Å | ||
| 140 | Q | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | trans | -139.3 | 96.7 | -173.5 | -65.5 | 176.3 | -11.6 | 0 | 0 | 110.6 | H53 S121 N138 D142 C143 E191 | H53-Q140 PolarHBondContact NE2-OE1 2.76Å; S121-Q140 PolarHBondContact OG-OE1 3.33Å; N138-Q140 PolarHBondContact O-N 3Å; Q140-D142 VanDerWaalsContact C-N 3.32Å; Q140-D142 PolarHBondContact O-N 3.06Å; Q140-C143 HydrophobicContact CB-CB 4.07Å; Q140-C143 PolarHBondContact O-N 3.35Å; Q140-E191 VanDerWaalsContact NE2-CG 3.25Å; Q140-E191 PolarHBondContact NE2-OE1 2.98Å | ||
| 141 | M | 96.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.1 | -30.6 | -176.7 | -59.3 | -61.4 | -65.1 | 0 | 0 | 112 | F109 L139 C143 G145 Y177 L178 A181 I184 D186 | F109-M141 HydrophobicContact CZ-SD 4.46Å; L139-M141 HydrophobicContact CD1-SD 4.43Å; M141-C143 VanDerWaalsContact C-N 3.28Å; M141-C143 PolarHBondContact O-N 3.01Å; M141-G145 PolarHBondContact O-N 3.39Å; M141-Y177 HydrophobicContact CE-CD1 3.73Å; M141-Y177 HydrophobicContact CE-CE1 3.81Å; M141-Y177 WeakPolarHBondContact CE-O 3.35Å; M141-Y177 HydrophobicContact SD-CD1 4.01Å; M141-Y177 HydrophobicContact SD-CE1 3.43Å; M141-Y177 WeakPolarHBondContact SD-CE1 3.45Å; M141-L178 HydrophobicContact CE-CD2 4.09Å; M141-A181 HydrophobicContact CE-CB 3.73Å; M141-I184 HydrophobicContact CE-CD1 4.38Å; M141-I184 HydrophobicContact SD-CG2 4.26Å; M141-D186 WeakPolarHBondContact CB-OD2 3.47Å; M141-D186 HydrophobicContact CG-CB 4.12Å; M141-D186 PolarHBondContact N-OD2 3.13Å |
| 142 | D | 97.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 176.5 | 66.8 | -62 | 0 | 0 | 0 | 112 | R55 Q140 G145 L146 M189 M210 | R55-D142 IonicContact CZ-OD2 3.06Å; R55-D142 IonicContact NE-OD2 3.82Å; R55-D142 PolarHBondContact NE-OD2 3.09Å; R55-D142 IonicContact NH2-OD1 3.42Å; R55-D142 IonicContact NH2-OD2 2.58Å; R55-D142 PolarHBondContact NH2-OD2 3.26Å; Q140-D142 VanDerWaalsContact C-N 3.32Å; Q140-D142 PolarHBondContact O-N 3.06Å; D142-G145 PolarHBondContact O-N 3.14Å; D142-L146 WeakPolarHBondContact O-CB 3.13Å; D142-L146 PolarHBondContact O-N 3.32Å; D142-M189 HydrophobicContact CB-CE 4.49Å; D142-M210 HydrophobicContact CB-CB 4.34Å; D142-M210 HydrophobicContact CB-CG 4.16Å |
| 143 | C | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.7 | -45.5 | -175.7 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | V54 Q140 M141 L146 Y147 | V54-C143 VanDerWaalsContact CB-SG 3.6Å; V54-C143 VanDerWaalsContact CG1-SG 3.53Å; Q140-C143 HydrophobicContact CB-CB 4.07Å; Q140-C143 PolarHBondContact O-N 3.35Å; M141-C143 VanDerWaalsContact C-N 3.28Å; M141-C143 PolarHBondContact O-N 3.01Å; C143-L146 PolarHBondContact O-N 2.7Å; C143-Y147 PolarHBondContact O-N 2.81Å; C143-Y147 VanDerWaalsContact O-N 3.1Å |
| 144 | I | 97.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69 | -40.3 | 177.8 | -59.8 | 161 | 0 | 0 | 0 | 110.1 | W99 L119 L146 Y147 V148 L174 Y177 L178 | W99-I144 HydrophobicContact CH2-CB 4.38Å; W99-I144 HydrophobicContact CH2-CG1 3.88Å; W99-I144 HydrophobicContact CZ2-CG1 4.11Å; L119-I144 HydrophobicContact CD1-CD1 4.42Å; I144-L146 PolarHBondContact O-N 3.13Å; I144-Y147 PolarHBondContact O-N 3.09Å; I144-V148 WeakPolarHBondContact O-CG2 3.44Å; I144-V148 PolarHBondContact O-N 3.39Å; I144-V148 VanDerWaalsContact O-N 3.08Å; I144-L174 HydrophobicContact CG2-CD2 4.42Å; I144-Y177 HydrophobicContact CD1-CD1 3.65Å; I144-Y177 HydrophobicContact CD1-CE1 3.14Å; I144-Y177 HydrophobicContact CD1-CE2 4.26Å; I144-Y177 HydrophobicContact CD1-CG 4.41Å; I144-L178 HydrophobicContact CB-CD2 4.05Å; I144-L178 HydrophobicContact CG2-CD1 4.19Å; I144-L178 HydrophobicContact CG2-CD2 3.9Å; I144-L178 HydrophobicContact CG2-CG 4.04Å |
| 145 | G | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M141 D142 Y147 V148 I149 | M141-G145 PolarHBondContact O-N 3.39Å; D142-G145 PolarHBondContact O-N 3.14Å; G145-Y147 PolarHBondContact O-N 2.93Å; G145-V148 PolarHBondContact O-N 2.87Å; G145-I149 WeakPolarHBondContact O-CD1 3.5Å; G145-I149 VanDerWaalsContact O-CG1 3.23Å; G145-I149 WeakPolarHBondContact O-CG1 3.42Å; G145-I149 PolarHBondContact O-N 3.15Å |
| 146 | L | 98.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 2% | 0.016 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 177.4 | 177.8 | 66.3 | 0 | 0 | 0 | 112.1 | R55 V58 Y59 D142 C143 I144 V148 I149 Q150 M210 P272 | R55-L146 HydrophobicContact CG-CD2 3.66Å; V58-L146 HydrophobicContact CB-CD2 4.33Å; V58-L146 HydrophobicContact CG1-CD2 4.15Å; V58-L146 HydrophobicContact CG1-CG 3.93Å; Y59-L146 HydrophobicContact CD2-CD2 3.91Å; Y59-L146 HydrophobicContact CE1-CD1 4.45Å; Y59-L146 HydrophobicContact CE2-CD1 4.46Å; Y59-L146 HydrophobicContact CE2-CD2 3.41Å; Y59-L146 VanDerWaalsContact CE2-CD2 3.41Å; D142-L146 WeakPolarHBondContact O-CB 3.13Å; D142-L146 PolarHBondContact O-N 3.32Å; C143-L146 PolarHBondContact O-N 2.7Å; I144-L146 PolarHBondContact O-N 3.13Å; L146-V148 PolarHBondContact O-N 3.18Å; L146-I149 PolarHBondContact O-N 3.11Å; L146-Q150 WeakPolarHBondContact O-CB 3.43Å; L146-Q150 PolarHBondContact O-N 2.72Å; L146-M210 HydrophobicContact CB-SD 4.46Å; L146-P272 HydrophobicContact CD1-CB 4.47Å; L146-P272 HydrophobicContact CD1-CG 3.52Å |
| 147 | Y | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -57 | -49.1 | 177.7 | 176.8 | -94.5 | 0 | 0 | 0 | 111.4 | V58 M92 I95 L96 W99 C143 I144 G145 Q150 L151 | V58-Y147 HydrophobicContact CG2-CD2 3.92Å; M92-Y147 HydrophobicContact CE-CD2 3.53Å; M92-Y147 HydrophobicContact CE-CE2 3.37Å; M92-Y147 HydrophobicContact CE-CG 4.31Å; M92-Y147 PolarHBondContact O-OH 3.29Å; M92-Y147 HydrophobicContact SD-CD2 4.17Å; M92-Y147 HydrophobicContact SD-CE2 3.98Å; I95-Y147 HydrophobicContact CB-CD2 4.27Å; I95-Y147 HydrophobicContact CB-CE2 3.78Å; I95-Y147 HydrophobicContact CD1-CD2 4.29Å; I95-Y147 HydrophobicContact CD1-CE2 4.3Å; I95-Y147 HydrophobicContact CG2-CD2 3.68Å; I95-Y147 HydrophobicContact CG2-CE2 3.56Å; I95-Y147 HydrophobicContact CG2-CG 4.48Å; L96-Y147 WeakPolarHBondContact CB-OH 3.49Å; W99-Y147 HydrophobicContact CE3-CD1 4.41Å; W99-Y147 HydrophobicContact CH2-CG 4.17Å; W99-Y147 AromaticContact CZ3-CD1 3.64Å; W99-Y147 HydrophobicContact CZ3-CD1 3.64Å; W99-Y147 HydrophobicContact CZ3-CD2 4.3Å; W99-Y147 HydrophobicContact CZ3-CE1 4.22Å; W99-Y147 AromaticContact CZ3-CG 3.69Å; W99-Y147 HydrophobicContact CZ3-CG 3.69Å; C143-Y147 PolarHBondContact O-N 2.81Å; C143-Y147 VanDerWaalsContact O-N 3.1Å; I144-Y147 PolarHBondContact O-N 3.09Å; G145-Y147 PolarHBondContact O-N 2.93Å; Y147-Q150 PolarHBondContact O-N 3.42Å; Y147-L151 HydrophobicContact CE1-CB 4.45Å; Y147-L151 HydrophobicContact CE1-CD2 3.95Å; Y147-L151 VanDerWaalsContact O-CB 3.22Å; Y147-L151 WeakPolarHBondContact O-CB 3.31Å; Y147-L151 PolarHBondContact O-N 3.02Å |
| 148 | V | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.006 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | -179 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | I144 G145 L146 Q150 L151 V152 L178 A214 V218 | I144-V148 WeakPolarHBondContact O-CG2 3.44Å; I144-V148 PolarHBondContact O-N 3.39Å; I144-V148 VanDerWaalsContact O-N 3.08Å; G145-V148 PolarHBondContact O-N 2.87Å; L146-V148 PolarHBondContact O-N 3.18Å; V148-Q150 VanDerWaalsContact C-N 3.31Å; V148-Q150 PolarHBondContact O-N 3.31Å; V148-L151 PolarHBondContact O-N 3.07Å; V148-V152 WeakPolarHBondContact O-CG2 3.41Å; V148-V152 PolarHBondContact O-N 3.47Å; V148-V152 VanDerWaalsContact O-N 3.1Å; V148-L178 HydrophobicContact CB-CD1 4.4Å; V148-L178 HydrophobicContact CG2-CD1 4.08Å; V148-A214 HydrophobicContact CB-CB 3.94Å; V148-A214 HydrophobicContact CG1-CB 3.86Å; V148-V218 HydrophobicContact CG1-CG1 3.31Å |
| 149 | I | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.1 | -48.8 | 176 | -69 | 160.6 | 0 | 0 | 0 | 110.1 | G145 L146 Q153 M210 A213 A214 A273 | G145-I149 WeakPolarHBondContact O-CD1 3.5Å; G145-I149 VanDerWaalsContact O-CG1 3.23Å; G145-I149 WeakPolarHBondContact O-CG1 3.42Å; G145-I149 PolarHBondContact O-N 3.15Å; L146-I149 PolarHBondContact O-N 3.11Å; I149-Q153 WeakPolarHBondContact O-CG 3.27Å; I149-Q153 PolarHBondContact O-N 2.81Å; I149-Q153 VanDerWaalsContact O-N 3.15Å; I149-M210 HydrophobicContact CD1-SD 4.06Å; I149-A213 HydrophobicContact CD1-CB 3.67Å; I149-A213 HydrophobicContact CG1-CB 4.39Å; I149-A214 HydrophobicContact CD1-CB 4.46Å; I149-A214 HydrophobicContact CG1-CB 3.97Å; I149-A273 HydrophobicContact CD1-CB 4.31Å |
| 150 | Q | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.8 | -33.9 | -175.1 | -167.1 | 59.7 | 71.1 | 0 | 0 | 112.6 | V58 T62 M92 L146 Y147 V148 Q153 M154 | V58-Q150 HydrophobicContact CG1-CB 3.86Å; V58-Q150 HydrophobicContact CG1-CG 4.07Å; T62-Q150 VanDerWaalsContact OG1-CD 3.24Å; T62-Q150 WeakPolarHBondContact OG1-CG 3.27Å; T62-Q150 PolarHBondContact OG1-OE1 2.88Å; M92-Q150 HydrophobicContact CE-CB 4.38Å; L146-Q150 WeakPolarHBondContact O-CB 3.43Å; L146-Q150 PolarHBondContact O-N 2.72Å; Y147-Q150 PolarHBondContact O-N 3.42Å; V148-Q150 VanDerWaalsContact C-N 3.31Å; V148-Q150 PolarHBondContact O-N 3.31Å; Q150-Q153 PolarHBondContact O-N 3.29Å; Q150-M154 HydrophobicContact CG-CE 3.51Å; Q150-M154 HydrophobicContact CG-CG 4.42Å; Q150-M154 HydrophobicContact CG-SD 4.06Å; Q150-M154 WeakPolarHBondContact O-CB 3.35Å; Q150-M154 WeakPolarHBondContact O-CG 3.38Å; Q150-M154 PolarHBondContact O-N 2.7Å |
| 151 | L | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.9 | -50.3 | 173.1 | 179.2 | 68.2 | 0 | 0 | 0 | 110.8 | M92 Y147 V148 Q153 M154 I155 I161 V171 I223 | M92-L151 HydrophobicContact CE-CB 4.12Å; Y147-L151 HydrophobicContact CE1-CB 4.45Å; Y147-L151 HydrophobicContact CE1-CD2 3.95Å; Y147-L151 VanDerWaalsContact O-CB 3.22Å; Y147-L151 WeakPolarHBondContact O-CB 3.31Å; Y147-L151 PolarHBondContact O-N 3.02Å; V148-L151 PolarHBondContact O-N 3.07Å; L151-Q153 PolarHBondContact O-N 2.94Å; L151-M154 PolarHBondContact O-N 3.22Å; L151-I155 HydrophobicContact CD1-CD1 3.7Å; L151-I155 HydrophobicContact CD1-CG1 4.44Å; L151-I155 HydrophobicContact CG-CD1 3.82Å; L151-I155 WeakPolarHBondContact O-CG1 3.24Å; L151-I155 PolarHBondContact O-N 3.33Å; L151-I161 HydrophobicContact CD1-CB 3.89Å; L151-I161 HydrophobicContact CD1-CD1 3.94Å; L151-I161 HydrophobicContact CD1-CG2 3.5Å; L151-I161 VanDerWaalsContact CD1-CG2 3.5Å; L151-V171 HydrophobicContact CD2-CG1 4.18Å; L151-V171 HydrophobicContact CD2-CG2 4.25Å; L151-I223 HydrophobicContact CD2-CD1 4.02Å; L151-I223 HydrophobicContact CG-CD1 4.31Å |
| 152 | V | 96.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | V148 M154 I155 H156 S217 V218 F221 I435 | V148-V152 WeakPolarHBondContact O-CG2 3.41Å; V148-V152 PolarHBondContact O-N 3.47Å; V148-V152 VanDerWaalsContact O-N 3.1Å; V152-M154 PolarHBondContact O-N 3.05Å; V152-I155 PolarHBondContact O-N 3.46Å; V152-H156 VanDerWaalsContact O-CB 3.27Å; V152-H156 WeakPolarHBondContact O-CB 3.41Å; V152-H156 PolarHBondContact O-N 2.73Å; V152-S217 WeakPolarHBondContact CG1-O 3.48Å; V152-V218 HydrophobicContact CG2-CG1 3.98Å; V152-F221 HydrophobicContact CB-CD1 4.4Å; V152-F221 HydrophobicContact CB-CE1 4.23Å; V152-F221 HydrophobicContact CB-CZ 4.48Å; V152-F221 HydrophobicContact CG1-CD1 4Å; V152-F221 HydrophobicContact CG1-CD2 3.89Å; V152-F221 HydrophobicContact CG1-CE1 3.97Å; V152-F221 HydrophobicContact CG1-CE2 3.87Å; V152-F221 HydrophobicContact CG1-CG 3.94Å; V152-F221 HydrophobicContact CG1-CZ 3.9Å; V152-F221 HydrophobicContact CG2-CD1 3.91Å; V152-F221 HydrophobicContact CG2-CE1 4.09Å; V152-F221 HydrophobicContact CG2-CG 4.45Å; V152-I435 HydrophobicContact CG1-CD1 4.02Å; V152-I435 HydrophobicContact CG1-CG2 4.27Å |
| 153 | Q | 95 | Very high | 96.5 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 179.3 | -73.7 | -166 | 69.2 | 0 | 0 | 112.9 | W65 I149 Q150 L151 S157 L432 P434 I435 | W65-Q153 HydrophobicContact CH2-CB 3.97Å; W65-Q153 HydrophobicContact CZ2-CB 4.34Å; I149-Q153 WeakPolarHBondContact O-CG 3.27Å; I149-Q153 PolarHBondContact O-N 2.81Å; I149-Q153 VanDerWaalsContact O-N 3.15Å; Q150-Q153 PolarHBondContact O-N 3.29Å; L151-Q153 PolarHBondContact O-N 2.94Å; Q153-S157 PolarHBondContact O-N 3.07Å; Q153-S157 VanDerWaalsContact O-N 3.08Å; Q153-L432 PolarHBondContact OE1-O 3.42Å; Q153-P434 HydrophobicContact CB-CG 4.42Å; Q153-I435 HydrophobicContact CG-CD1 3.78Å; Q153-I435 HydrophobicContact CG-CG1 3.92Å |
| 154 | M | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 178.7 | -73.9 | 172.3 | 178.7 | 0 | 0 | 111.6 | A61 W65 A88 M92 Q150 L151 V152 S157 G158 L159 I161 | A61-M154 HydrophobicContact CB-CE 3.94Å; W65-M154 HydrophobicContact CB-CE 3.69Å; W65-M154 HydrophobicContact CB-CG 4.38Å; W65-M154 HydrophobicContact CD2-CE 4.39Å; W65-M154 HydrophobicContact CD2-CG 3.88Å; W65-M154 HydrophobicContact CG-CE 4.06Å; W65-M154 HydrophobicContact CG-CG 3.79Å; A88-M154 HydrophobicContact CB-CE 4.5Å; M92-M154 HydrophobicContact CE-SD 4.36Å; M92-M154 HydrophobicContact CG-CE 4.3Å; M92-M154 HydrophobicContact CG-SD 3.62Å; M92-M154 HydrophobicContact SD-SD 4.29Å; Q150-M154 HydrophobicContact CG-CE 3.51Å; Q150-M154 HydrophobicContact CG-CG 4.42Å; Q150-M154 HydrophobicContact CG-SD 4.06Å; Q150-M154 WeakPolarHBondContact O-CB 3.35Å; Q150-M154 WeakPolarHBondContact O-CG 3.38Å; Q150-M154 PolarHBondContact O-N 2.7Å; L151-M154 PolarHBondContact O-N 3.22Å; V152-M154 PolarHBondContact O-N 3.05Å; M154-S157 PolarHBondContact O-N 3.17Å; M154-S157 PolarHBondContact O-OG 2.58Å; M154-G158 PolarHBondContact O-N 3.19Å; M154-L159 HydrophobicContact CB-CD1 4.15Å; M154-L159 HydrophobicContact CG-CD1 4.36Å; M154-L159 WeakPolarHBondContact O-CB 3.43Å; M154-L159 PolarHBondContact O-N 2.93Å; M154-L159 VanDerWaalsContact O-N 3.13Å; M154-I161 HydrophobicContact CB-CD1 3.68Å; M154-I161 HydrophobicContact CG-CD1 4.49Å; M154-I161 HydrophobicContact SD-CD1 4.06Å |
| 155 | I | 96.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67 | -41.9 | 178.4 | -66.3 | 165.6 | 0 | 0 | 0 | 111.3 | L151 V152 S157 G158 L159 I161 V162 F221 I223 | L151-I155 HydrophobicContact CD1-CD1 3.7Å; L151-I155 HydrophobicContact CD1-CG1 4.44Å; L151-I155 HydrophobicContact CG-CD1 3.82Å; L151-I155 WeakPolarHBondContact O-CG1 3.24Å; L151-I155 PolarHBondContact O-N 3.33Å; V152-I155 PolarHBondContact O-N 3.46Å; I155-S157 PolarHBondContact O-N 2.92Å; I155-G158 PolarHBondContact O-N 3.36Å; I155-L159 VanDerWaalsContact CA-O 3.32Å; I155-L159 WeakPolarHBondContact CA-O 3.33Å; I155-I161 HydrophobicContact CD1-CB 4.28Å; I155-I161 HydrophobicContact CG1-CB 4.19Å; I155-I161 HydrophobicContact CG1-CD1 4.26Å; I155-I161 HydrophobicContact CG1-CG1 4.33Å; I155-V162 HydrophobicContact CD1-CG2 4.36Å; I155-F221 HydrophobicContact CB-CE1 4.16Å; I155-F221 HydrophobicContact CB-CZ 3.9Å; I155-F221 HydrophobicContact CG2-CE1 3.99Å; I155-F221 HydrophobicContact CG2-CZ 3.71Å; I155-I223 HydrophobicContact CD1-CD1 3.63Å; I155-I223 HydrophobicContact CD1-CG1 4.17Å |
| 156 | H | 93.6 | Very high | 96.1 | Very high | 51 Ų | 51 | 30.6 Ų | 30.6 | 24% | 0.236 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -32.5 | 176 | -170.1 | 89.9 | 0 | 0 | 0 | 112.1 | V152 G158 F221 I435 | V152-H156 VanDerWaalsContact O-CB 3.27Å; V152-H156 WeakPolarHBondContact O-CB 3.41Å; V152-H156 PolarHBondContact O-N 2.73Å; H156-G158 PolarHBondContact O-N 3.38Å; H156-F221 HydrophobicContact CB-CE2 3.97Å; H156-F221 HydrophobicContact CB-CZ 4.28Å; H156-I435 HydrophobicContact CB-CG2 3.75Å |
| 157 | S | 92.9 | Very high | 96.1 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 21% | 0.21 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -3.9 | 173.8 | 70.4 | 0 | 0 | 0 | 0 | 115.1 | W65 Q153 M154 I155 | W65-S157 PolarHBondContact NE1-OG 3.37Å; Q153-S157 PolarHBondContact O-N 3.07Å; Q153-S157 VanDerWaalsContact O-N 3.08Å; M154-S157 PolarHBondContact O-N 3.17Å; M154-S157 PolarHBondContact O-OG 2.58Å; I155-S157 PolarHBondContact O-N 2.92Å |
| 158 | G | 92.9 | Very high | 96 | Very high | 52 Ų | 52 | 31.3 Ų | 31.3 | 54% | 0.536 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.6 | 2.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | M154 I155 H156 | M154-G158 PolarHBondContact O-N 3.19Å; I155-G158 PolarHBondContact O-N 3.36Å; H156-G158 PolarHBondContact O-N 3.38Å |
| 159 | L | 95.7 | Very high | 95.9 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | trans | -78.3 | 133.3 | 175.2 | -64.3 | -177.1 | 0 | 0 | 0 | 111.5 | V89 M154 I155 | V89-L159 HydrophobicContact CG2-CB 3.96Å; V89-L159 HydrophobicContact CG2-CD1 4.11Å; V89-L159 HydrophobicContact CG2-CD2 4.2Å; V89-L159 HydrophobicContact CG2-CG 4.33Å; M154-L159 HydrophobicContact CB-CD1 4.15Å; M154-L159 HydrophobicContact CG-CD1 4.36Å; M154-L159 WeakPolarHBondContact O-CB 3.43Å; M154-L159 PolarHBondContact O-N 2.93Å; M154-L159 VanDerWaalsContact O-N 3.13Å; I155-L159 VanDerWaalsContact CA-O 3.32Å; I155-L159 WeakPolarHBondContact CA-O 3.33Å | ||
| 160 | Q | 95.4 | Very high | 95.9 | Very high | 118 Ų | 118 | 31.6 Ų | 31.6 | 55% | 0.551 | 17% | 0.167 | S | C | * | . | trans | -92.2 | 109.8 | 174.8 | -63.5 | 178.8 | -16.4 | 0 | 0 | 109.8 | V89 Y163 | V89-Q160 WeakPolarHBondContact CG1-O 3.48Å; Q160-Y163 HydrophobicContact CB-CE1 3.74Å; Q160-Y163 PolarHBondContact O-OH 2.9Å | ||
| 161 | I | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -111.8 | -33.3 | -179.4 | -61.8 | 173.1 | 0 | 0 | 0 | 111.7 | V89 M92 R93 L151 M154 I155 | V89-I161 HydrophobicContact CG1-CG1 4.4Å; V89-I161 HydrophobicContact CG2-CG1 4.02Å; M92-I161 HydrophobicContact CB-CD1 4.09Å; M92-I161 HydrophobicContact CB-CG2 4.08Å; M92-I161 HydrophobicContact CG-CD1 4.34Å; R93-I161 HydrophobicContact CG-CG2 3.87Å; R93-I161 WeakPolarHBondContact CG-O 3.41Å; R93-I161 PolarHBondContact NH1-O 3.45Å; L151-I161 HydrophobicContact CD1-CB 3.89Å; L151-I161 HydrophobicContact CD1-CD1 3.94Å; L151-I161 HydrophobicContact CD1-CG2 3.5Å; L151-I161 VanDerWaalsContact CD1-CG2 3.5Å; M154-I161 HydrophobicContact CB-CD1 3.68Å; M154-I161 HydrophobicContact CG-CD1 4.49Å; M154-I161 HydrophobicContact SD-CD1 4.06Å; I155-I161 HydrophobicContact CD1-CB 4.28Å; I155-I161 HydrophobicContact CG1-CB 4.19Å; I155-I161 HydrophobicContact CG1-CD1 4.26Å; I155-I161 HydrophobicContact CG1-CG1 4.33Å | ||
| 162 | V | 97.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | trans | -108.6 | 135.5 | -179.6 | 178.7 | 0 | 0 | 0 | 0 | 109 | L96 I155 E167 V168 V171 I223 Y224 | L96-V162 HydrophobicContact CD2-CG2 4.28Å; I155-V162 HydrophobicContact CD1-CG2 4.36Å; V162-E167 HydrophobicContact CG1-CB 3.75Å; V162-V168 HydrophobicContact CG1-CG2 4Å; V162-V171 HydrophobicContact CG2-CG2 4.45Å; V162-I223 HydrophobicContact CB-CG1 4.21Å; V162-I223 HydrophobicContact CG1-CG1 4.4Å; V162-I223 HydrophobicContact CG1-CG2 4.25Å; V162-I223 HydrophobicContact CG2-CG1 3.88Å; V162-Y224 HydrophobicContact CB-CE1 4.44Å; V162-Y224 HydrophobicContact CG1-CD1 4.34Å; V162-Y224 HydrophobicContact CG1-CE1 3.87Å; V162-Y224 VanDerWaalsContact O-CD1 3.29Å; V162-Y224 WeakPolarHBondContact O-CD1 3.47Å; V162-Y224 WeakPolarHBondContact O-CE1 3.41Å | ||
| 163 | Y | 94.8 | Very high | 95.9 | Very high | 108 Ų | 108 | 31.8 Ų | 31.8 | 42% | 0.424 | 17% | 0.168 | S | C | . | . | trans | -129 | -23.3 | -172.3 | -62 | -62.4 | 0 | 0 | 0 | 114.9 | Q160 E167 Y224 | Q160-Y163 HydrophobicContact CB-CE1 3.74Å; Q160-Y163 PolarHBondContact O-OH 2.9Å; Y163-E167 WeakPolarHBondContact CA-OE2 3.38Å; Y163-E167 PolarHBondContact N-OE2 2.93Å; Y163-Y224 PolarHBondContact O-OH 3.22Å | ||
| 164 | T | 95.2 | Very high | 96 | Very high | 63 Ų | 63 | 31.8 Ų | 31.8 | 39% | 0.387 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -123.6 | 151.6 | -172.6 | 68 | 0 | 0 | 0 | 0 | 112.6 | D166 E167 V168 Y224 | T164-D166 PolarHBondContact O-N 3.29Å; T164-E167 PolarHBondContact N-OE2 3.44Å; T164-E167 WeakPolarHBondContact O-CB 3.27Å; T164-E167 PolarHBondContact O-N 3.38Å; T164-E167 VanDerWaalsContact O-N 3.09Å; T164-E167 VanDerWaalsContact OG1-CG 3.27Å; T164-E167 WeakPolarHBondContact OG1-CG 3.35Å; T164-E167 PolarHBondContact OG1-N 3.45Å; T164-E167 PolarHBondContact OG1-OE2 2.94Å; T164-V168 WeakPolarHBondContact O-CG2 3.25Å; T164-V168 PolarHBondContact O-N 3.34Å; T164-Y224 WeakPolarHBondContact CA-OH 3.49Å; T164-Y224 PolarHBondContact N-OH 3.04Å; T164-Y224 PolarHBondContact O-OH 2.93Å |
| 165 | K | 93 | Very high | 96 | Very high | 150 Ų | 150 | 31.8 Ų | 31.8 | 65% | 0.652 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -61.1 | -29.7 | 176 | -72.2 | -167.6 | 175.4 | -173.1 | 0 | 112.9 | V168 A169 Y224 | K165-V168 WeakPolarHBondContact O-CB 3.16Å; K165-V168 PolarHBondContact O-N 3.16Å; K165-A169 WeakPolarHBondContact O-CB 3.48Å; K165-A169 PolarHBondContact O-N 3.29Å; K165-Y224 PolarHBondContact N-OH 3.34Å |
| 166 | D | 96.1 | Very high | 95.9 | Very high | 38 Ų | 38 | 31.6 Ų | 31.6 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 174.8 | -69.8 | -49.6 | 0 | 0 | 0 | 111 | T164 A169 F170 S514 R516 L517 | T164-D166 PolarHBondContact O-N 3.29Å; D166-A169 PolarHBondContact O-N 3.37Å; D166-F170 PolarHBondContact O-N 3.15Å; D166-S514 PolarHBondContact OD1-OG 3.5Å; D166-R516 WeakPolarHBondContact OD2-CD 3.32Å; D166-R516 IonicContact OD2-NH1 3.58Å; D166-R516 PolarHBondContact OD2-NH1 3.36Å; D166-L517 HydrophobicContact CB-CD1 4.08Å; D166-L517 HydrophobicContact CB-CG 4.47Å; D166-L517 WeakPolarHBondContact O-CD1 3.19Å |
| 167 | E | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 171.1 | -71.5 | 165.2 | 148.9 | 0 | 0 | 111.7 | R93 L96 M97 M100 V162 Y163 T164 A169 F170 V171 | R93-E167 IonicContact CZ-OE1 2.82Å; R93-E167 IonicContact NH1-OE1 2.79Å; R93-E167 PolarHBondContact NH1-OE1 3.37Å; R93-E167 IonicContact NH2-OE1 2.77Å; R93-E167 PolarHBondContact NH2-OE1 2.92Å; L96-E167 HydrophobicContact CD2-CB 4.27Å; L96-E167 HydrophobicContact CD2-CG 4.02Å; M97-E167 HydrophobicContact CE-CG 4.5Å; M97-E167 WeakPolarHBondContact CE-OE1 3.45Å; M100-E167 HydrophobicContact CE-CG 3.82Å; M100-E167 HydrophobicContact SD-CB 4.36Å; M100-E167 HydrophobicContact SD-CG 3.55Å; M100-E167 VanDerWaalsContact SD-CG 3.55Å; V162-E167 HydrophobicContact CG1-CB 3.75Å; Y163-E167 WeakPolarHBondContact CA-OE2 3.38Å; Y163-E167 PolarHBondContact N-OE2 2.93Å; T164-E167 PolarHBondContact N-OE2 3.44Å; T164-E167 WeakPolarHBondContact O-CB 3.27Å; T164-E167 PolarHBondContact O-N 3.38Å; T164-E167 VanDerWaalsContact O-N 3.09Å; T164-E167 VanDerWaalsContact OG1-CG 3.27Å; T164-E167 WeakPolarHBondContact OG1-CG 3.35Å; T164-E167 PolarHBondContact OG1-N 3.45Å; T164-E167 PolarHBondContact OG1-OE2 2.94Å; E167-A169 VanDerWaalsContact C-N 3.34Å; E167-A169 PolarHBondContact O-N 3.17Å; E167-F170 WeakPolarHBondContact O-CB 3.47Å; E167-F170 PolarHBondContact O-N 3.44Å; E167-V171 WeakPolarHBondContact O-CG2 3.31Å; E167-V171 PolarHBondContact O-N 2.95Å |
| 168 | V | 96.2 | Very high | 96.2 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 9% | 0.085 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 173.8 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | V162 T164 K165 F170 V171 Q172 I223 Y224 | V162-V168 HydrophobicContact CG1-CG2 4Å; T164-V168 WeakPolarHBondContact O-CG2 3.25Å; T164-V168 PolarHBondContact O-N 3.34Å; K165-V168 WeakPolarHBondContact O-CB 3.16Å; K165-V168 PolarHBondContact O-N 3.16Å; V168-F170 VanDerWaalsContact C-N 3.3Å; V168-F170 PolarHBondContact O-N 2.93Å; V168-V171 PolarHBondContact O-N 3.04Å; V168-Q172 WeakPolarHBondContact O-CB 3.45Å; V168-Q172 PolarHBondContact O-N 2.87Å; V168-I223 HydrophobicContact CB-CG2 4.29Å; V168-I223 HydrophobicContact CG1-CG2 4.04Å; V168-I223 HydrophobicContact CG2-CG2 3.62Å; V168-Y224 HydrophobicContact CG2-CE1 3.97Å; V168-Y224 HydrophobicContact CG2-CE2 4.18Å |
| 169 | A | 96.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 6% | 0.058 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.9 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K165 D166 E167 Q172 N173 | K165-A169 WeakPolarHBondContact O-CB 3.48Å; K165-A169 PolarHBondContact O-N 3.29Å; D166-A169 PolarHBondContact O-N 3.37Å; E167-A169 VanDerWaalsContact C-N 3.34Å; E167-A169 PolarHBondContact O-N 3.17Å; A169-Q172 PolarHBondContact O-N 3.23Å; A169-N173 PolarHBondContact O-N 3.14Å; A169-N173 PolarHBondContact O-ND2 3.33Å |
| 170 | F | 98 | Very high | 96 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -50.3 | 175.8 | -170.9 | -90.4 | 0 | 0 | 0 | 112.2 | L96 W99 M100 L106 D166 E167 V168 Q172 N173 L174 L517 L519 | L96-F170 HydrophobicContact CD1-CD1 3.75Å; L96-F170 HydrophobicContact CD1-CE1 4.24Å; W99-F170 HydrophobicContact CB-CE1 3.81Å; W99-F170 HydrophobicContact CB-CZ 3.7Å; W99-F170 WeakPolarHBondContact O-CE2 2.75Å; W99-F170 WeakPolarHBondContact O-CZ 3.42Å; M100-F170 HydrophobicContact CB-CD2 4.35Å; M100-F170 HydrophobicContact CB-CE2 4.42Å; M100-F170 HydrophobicContact CG-CB 4.09Å; M100-F170 HydrophobicContact CG-CD1 3.8Å; M100-F170 HydrophobicContact CG-CD2 3.71Å; M100-F170 HydrophobicContact CG-CE1 4.18Å; M100-F170 HydrophobicContact CG-CE2 4.11Å; M100-F170 HydrophobicContact CG-CG 3.56Å; M100-F170 HydrophobicContact CG-CZ 4.35Å; L106-F170 HydrophobicContact CD2-CD2 3.94Å; L106-F170 HydrophobicContact CD2-CE1 4.32Å; L106-F170 HydrophobicContact CD2-CE2 3.46Å; L106-F170 VanDerWaalsContact CD2-CE2 3.46Å; L106-F170 HydrophobicContact CD2-CZ 3.66Å; D166-F170 PolarHBondContact O-N 3.15Å; E167-F170 WeakPolarHBondContact O-CB 3.47Å; E167-F170 PolarHBondContact O-N 3.44Å; V168-F170 VanDerWaalsContact C-N 3.3Å; V168-F170 PolarHBondContact O-N 2.93Å; F170-Q172 VanDerWaalsContact C-N 3.29Å; F170-Q172 PolarHBondContact O-N 3.43Å; F170-N173 WeakPolarHBondContact O-CA 3.42Å; F170-N173 WeakPolarHBondContact O-CB 3.43Å; F170-N173 PolarHBondContact O-N 2.66Å; F170-L174 HydrophobicContact CD1-CD1 4.3Å; F170-L174 HydrophobicContact CD1-CG 4.26Å; F170-L174 HydrophobicContact CE1-CD1 4Å; F170-L174 HydrophobicContact CE1-CD2 3.91Å; F170-L174 HydrophobicContact CE1-CG 3.96Å; F170-L174 HydrophobicContact CZ-CD2 4.28Å; F170-L174 PolarHBondContact O-N 3.47Å; F170-L517 HydrophobicContact CB-CD1 4.16Å; F170-L517 HydrophobicContact CD2-CD1 4.43Å; F170-L519 HydrophobicContact CB-CD1 4.44Å; F170-L519 HydrophobicContact CD2-CD1 4.09Å |
| 171 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | L96 L151 V162 E167 V168 N173 L174 V175 I223 L234 | L96-V171 HydrophobicContact CD1-CG2 4.12Å; L151-V171 HydrophobicContact CD2-CG1 4.18Å; L151-V171 HydrophobicContact CD2-CG2 4.25Å; V162-V171 HydrophobicContact CG2-CG2 4.45Å; E167-V171 WeakPolarHBondContact O-CG2 3.31Å; E167-V171 PolarHBondContact O-N 2.95Å; V168-V171 PolarHBondContact O-N 3.04Å; V171-N173 VanDerWaalsContact C-N 3.26Å; V171-N173 PolarHBondContact O-N 3.12Å; V171-L174 WeakPolarHBondContact O-CB 3.45Å; V171-L174 PolarHBondContact O-N 3.3Å; V171-V175 PolarHBondContact O-N 3.34Å; V171-V175 VanDerWaalsContact O-N 3.12Å; V171-I223 HydrophobicContact CG1-CD1 4.35Å; V171-L234 HydrophobicContact CG1-CD1 3.74Å; V171-L234 HydrophobicContact CG1-CD2 4.26Å |
| 172 | Q | 96.7 | Very high | 95.4 | Very high | 7 Ų | 7 | 20.2 Ų | 20.2 | 3% | 0.033 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.9 | -33.5 | 173.6 | -175.5 | 59.8 | 69.3 | 0 | 0 | 112.6 | V168 A169 F170 V175 F176 L234 F235 M511 | V168-Q172 WeakPolarHBondContact O-CB 3.45Å; V168-Q172 PolarHBondContact O-N 2.87Å; A169-Q172 PolarHBondContact O-N 3.23Å; F170-Q172 VanDerWaalsContact C-N 3.29Å; F170-Q172 PolarHBondContact O-N 3.43Å; Q172-V175 WeakPolarHBondContact O-CB 3.43Å; Q172-V175 PolarHBondContact O-N 3.42Å; Q172-F176 HydrophobicContact CG-CE1 4.39Å; Q172-F176 HydrophobicContact CG-CE2 4.01Å; Q172-F176 HydrophobicContact CG-CZ 3.71Å; Q172-F176 WeakPolarHBondContact O-CD2 3.22Å; Q172-F176 PolarHBondContact O-N 3.5Å; Q172-L234 HydrophobicContact CB-CD2 4.07Å; Q172-F235 PolarHBondContact NE2-O 3.33Å; Q172-M511 HydrophobicContact CG-CG 3.96Å |
| 173 | N | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74 | -28.8 | 173.6 | -78 | -96.6 | 0 | 0 | 0 | 112.9 | L106 K110 A169 F170 V171 V175 F176 Y177 G512 L519 | L106-N173 HydrophobicContact CD1-CB 4.47Å; L106-N173 HydrophobicContact CD2-CB 3.64Å; L106-N173 HydrophobicContact CG-CB 4.07Å; K110-N173 WeakPolarHBondContact CD-OD1 3.28Å; K110-N173 PolarHBondContact NZ-OD1 2.82Å; A169-N173 PolarHBondContact O-N 3.14Å; A169-N173 PolarHBondContact O-ND2 3.33Å; F170-N173 WeakPolarHBondContact O-CA 3.42Å; F170-N173 WeakPolarHBondContact O-CB 3.43Å; F170-N173 PolarHBondContact O-N 2.66Å; V171-N173 VanDerWaalsContact C-N 3.26Å; V171-N173 PolarHBondContact O-N 3.12Å; N173-V175 PolarHBondContact O-N 2.83Å; N173-F176 HydrophobicContact CB-CD2 4.36Å; N173-F176 PolarHBondContact O-N 3.43Å; N173-Y177 PolarHBondContact O-N 2.93Å; N173-G512 PolarHBondContact ND2-O 3.3Å; N173-L519 HydrophobicContact CB-CD1 4.45Å |
| 174 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.6 | -34.1 | 167.4 | -61.1 | -178.7 | 0 | 0 | 0 | 111.4 | W99 L106 L119 I144 F170 V171 Y177 L178 | W99-L174 HydrophobicContact CE3-CD1 4.12Å; W99-L174 HydrophobicContact CZ3-CD1 4.26Å; L106-L174 HydrophobicContact CD1-CD2 4.36Å; L106-L174 HydrophobicContact CD2-CD2 4.12Å; L119-L174 HydrophobicContact CD1-CD2 3.45Å; L119-L174 VanDerWaalsContact CD1-CD2 3.45Å; I144-L174 HydrophobicContact CG2-CD2 4.42Å; F170-L174 HydrophobicContact CD1-CD1 4.3Å; F170-L174 HydrophobicContact CD1-CG 4.26Å; F170-L174 HydrophobicContact CE1-CD1 4Å; F170-L174 HydrophobicContact CE1-CD2 3.91Å; F170-L174 HydrophobicContact CE1-CG 3.96Å; F170-L174 HydrophobicContact CZ-CD2 4.28Å; F170-L174 PolarHBondContact O-N 3.47Å; V171-L174 WeakPolarHBondContact O-CB 3.45Å; V171-L174 PolarHBondContact O-N 3.3Å; L174-Y177 VanDerWaalsContact O-CB 3.26Å; L174-Y177 WeakPolarHBondContact O-CB 3.42Å; L174-Y177 PolarHBondContact O-N 3.15Å; L174-L178 WeakPolarHBondContact O-CG 3.43Å; L174-L178 PolarHBondContact O-N 3.43Å; L174-L178 VanDerWaalsContact O-N 3.08Å |
| 175 | V | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 172.1 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | V171 Q172 N173 Y177 L178 E179 L215 V218 F235 M236 | V171-V175 PolarHBondContact O-N 3.34Å; V171-V175 VanDerWaalsContact O-N 3.12Å; Q172-V175 WeakPolarHBondContact O-CB 3.43Å; Q172-V175 PolarHBondContact O-N 3.42Å; N173-V175 PolarHBondContact O-N 2.83Å; V175-Y177 PolarHBondContact O-N 2.86Å; V175-L178 PolarHBondContact O-N 3.1Å; V175-L178 VanDerWaalsContact O-N 3.09Å; V175-E179 WeakPolarHBondContact O-CG 3.28Å; V175-E179 PolarHBondContact O-N 3.01Å; V175-L215 HydrophobicContact CG1-CD2 3.69Å; V175-V218 HydrophobicContact CG1-CG2 4.15Å; V175-V218 HydrophobicContact CG2-CB 4.35Å; V175-V218 HydrophobicContact CG2-CG1 4.25Å; V175-V218 HydrophobicContact CG2-CG2 3.95Å; V175-F235 WeakPolarHBondContact CG1-O 3.23Å; V175-M236 HydrophobicContact CG1-CB 4.44Å |
| 176 | F | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 0% | 0.004 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -63.9 | -27.1 | 177.3 | -54.7 | -35.5 | 0 | 0 | 0 | 114.1 | K110 Q172 N173 M511 R522 R525 | K110-F176 HydrophobicContact CD-CB 4.39Å; K110-F176 HydrophobicContact CD-CD2 4.43Å; Q172-F176 HydrophobicContact CG-CE1 4.39Å; Q172-F176 HydrophobicContact CG-CE2 4.01Å; Q172-F176 HydrophobicContact CG-CZ 3.71Å; Q172-F176 WeakPolarHBondContact O-CD2 3.22Å; Q172-F176 PolarHBondContact O-N 3.5Å; N173-F176 HydrophobicContact CB-CD2 4.36Å; N173-F176 PolarHBondContact O-N 3.43Å; F176-M511 HydrophobicContact CE1-SD 3.81Å; F176-M511 WeakPolarHBondContact CE2-O 3.41Å; F176-M511 HydrophobicContact CZ-CB 4.12Å; F176-M511 HydrophobicContact CZ-CG 3.82Å; F176-M511 HydrophobicContact CZ-SD 3.7Å; F176-R522 HydrophobicContact CD1-CG 4.08Å; F176-R522 HydrophobicContact CD2-CB 4.5Å; F176-R522 HydrophobicContact CE1-CB 3.89Å; F176-R522 HydrophobicContact CE1-CG 3.72Å; F176-R522 VanDerWaalsContact CE2-CA 3.46Å; F176-R522 HydrophobicContact CE2-CB 3.89Å; F176-R522 HydrophobicContact CE2-CG 4.47Å; F176-R522 HydrophobicContact CZ-CB 3.54Å; F176-R522 HydrophobicContact CZ-CG 3.94Å; F176-R525 PolarHBondContact O-NH1 2.67Å |
| 177 | Y | 95.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.008 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65.2 | -49.2 | 171.6 | -167.5 | -73.2 | 0 | 0 | 0 | 110.2 | L106 F109 C118 L119 M141 I144 N173 L174 V175 | L106-Y177 HydrophobicContact CD1-CD2 3.55Å; L106-Y177 HydrophobicContact CD1-CE2 4.44Å; L106-Y177 HydrophobicContact CD1-CG 4.31Å; F109-Y177 HydrophobicContact CB-CD2 4.22Å; F109-Y177 HydrophobicContact CB-CE2 3.93Å; F109-Y177 HydrophobicContact CD1-CD1 4.24Å; F109-Y177 AromaticContact CD1-CD2 3.13Å; F109-Y177 HydrophobicContact CD1-CD2 3.13Å; F109-Y177 HydrophobicContact CD1-CE1 4.14Å; F109-Y177 AromaticContact CD1-CE2 3.06Å; F109-Y177 HydrophobicContact CD1-CE2 3.06Å; F109-Y177 AromaticContact CD1-CG 3.76Å; F109-Y177 HydrophobicContact CD1-CG 3.76Å; F109-Y177 AromaticContact CD1-CZ 3.59Å; F109-Y177 AromaticContact CD2-CE2 3.82Å; F109-Y177 HydrophobicContact CD2-CE2 3.82Å; F109-Y177 AromaticContact CE1-CD1 3.76Å; F109-Y177 HydrophobicContact CE1-CD1 3.76Å; F109-Y177 AromaticContact CE1-CD2 3.54Å; F109-Y177 HydrophobicContact CE1-CD2 3.54Å; F109-Y177 AromaticContact CE1-CE1 3.52Å; F109-Y177 HydrophobicContact CE1-CE1 3.52Å; F109-Y177 AromaticContact CE1-CE2 3.33Å; F109-Y177 HydrophobicContact CE1-CE2 3.33Å; F109-Y177 AromaticContact CE1-CG 3.75Å; F109-Y177 HydrophobicContact CE1-CG 3.75Å; F109-Y177 AromaticContact CE1-CZ 3.3Å; F109-Y177 HydrophobicContact CE2-CE2 4.05Å; F109-Y177 AromaticContact CE2-CZ 3.8Å; F109-Y177 WeakPolarHBondContact CE2-OH 3.31Å; F109-Y177 AromaticContact CG-CD2 3.77Å; F109-Y177 HydrophobicContact CG-CD2 3.77Å; F109-Y177 AromaticContact CG-CE2 3.3Å; F109-Y177 HydrophobicContact CG-CE2 3.3Å; F109-Y177 AromaticContact CG-CZ 3.93Å; F109-Y177 HydrophobicContact CZ-CD1 4.44Å; F109-Y177 HydrophobicContact CZ-CD2 4.44Å; F109-Y177 AromaticContact CZ-CE1 3.76Å; F109-Y177 HydrophobicContact CZ-CE1 3.76Å; F109-Y177 AromaticContact CZ-CE2 3.81Å; F109-Y177 HydrophobicContact CZ-CE2 3.81Å; F109-Y177 AromaticContact CZ-CZ 3.4Å; F109-Y177 WeakPolarHBondContact CZ-OH 3.34Å; C118-Y177 WeakPolarHBondContact CB-OH 3.49Å; L119-Y177 HydrophobicContact CD1-CE2 4.46Å; L119-Y177 HydrophobicContact CG-CE2 4.23Å; M141-Y177 HydrophobicContact CE-CD1 3.73Å; M141-Y177 HydrophobicContact CE-CE1 3.81Å; M141-Y177 WeakPolarHBondContact CE-O 3.35Å; M141-Y177 HydrophobicContact SD-CD1 4.01Å; M141-Y177 HydrophobicContact SD-CE1 3.43Å; M141-Y177 WeakPolarHBondContact SD-CE1 3.45Å; I144-Y177 HydrophobicContact CD1-CD1 3.65Å; I144-Y177 HydrophobicContact CD1-CE1 3.14Å; I144-Y177 HydrophobicContact CD1-CE2 4.26Å; I144-Y177 HydrophobicContact CD1-CG 4.41Å; N173-Y177 PolarHBondContact O-N 2.93Å; L174-Y177 VanDerWaalsContact O-CB 3.26Å; L174-Y177 WeakPolarHBondContact O-CB 3.42Å; L174-Y177 PolarHBondContact O-N 3.15Å; V175-Y177 PolarHBondContact O-N 2.86Å |
| 178 | L | 96.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 5.3 Ų | 5.3 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -72.8 | -29 | -178.2 | -66.3 | 175.1 | 0 | 0 | 0 | 114.1 | M141 I144 V148 L174 V175 R180 A181 A211 A214 L215 | M141-L178 HydrophobicContact CE-CD2 4.09Å; I144-L178 HydrophobicContact CB-CD2 4.05Å; I144-L178 HydrophobicContact CG2-CD1 4.19Å; I144-L178 HydrophobicContact CG2-CD2 3.9Å; I144-L178 HydrophobicContact CG2-CG 4.04Å; V148-L178 HydrophobicContact CB-CD1 4.4Å; V148-L178 HydrophobicContact CG2-CD1 4.08Å; L174-L178 WeakPolarHBondContact O-CG 3.43Å; L174-L178 PolarHBondContact O-N 3.43Å; L174-L178 VanDerWaalsContact O-N 3.08Å; V175-L178 PolarHBondContact O-N 3.1Å; V175-L178 VanDerWaalsContact O-N 3.09Å; L178-R180 PolarHBondContact O-N 3.4Å; L178-A181 WeakPolarHBondContact O-CB 3.34Å; L178-A181 PolarHBondContact O-N 3.32Å; L178-A211 HydrophobicContact CB-CB 4.34Å; L178-A211 HydrophobicContact CD2-CB 3.97Å; L178-A214 HydrophobicContact CD1-CB 3.64Å; L178-L215 HydrophobicContact CB-CD2 4.17Å |
| 179 | E | 93.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 4.9 Ų | 4.9 | 1% | 0.009 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -29 | 179.8 | -83.2 | 178.9 | 172.9 | 0 | 0 | 114.2 | V175 L215 D237 A240 N244 R525 | V175-E179 WeakPolarHBondContact O-CG 3.28Å; V175-E179 PolarHBondContact O-N 3.01Å; E179-L215 HydrophobicContact CG-CD2 4.06Å; E179-D237 HydrophobicContact CG-CB 4.46Å; E179-D237 VanDerWaalsContact OE1-CB 3.22Å; E179-D237 WeakPolarHBondContact OE1-CB 3.39Å; E179-D237 PolarHBondContact OE1-N 3.16Å; E179-D237 VanDerWaalsContact OE1-N 3.12Å; E179-A240 HydrophobicContact CB-CB 3.75Å; E179-A240 HydrophobicContact CG-CB 3.78Å; E179-N244 PolarHBondContact O-ND2 2.88Å; E179-R525 IonicContact OE2-NH1 2.64Å; E179-R525 PolarHBondContact OE2-NH1 3.43Å; E179-R525 VanDerWaalsContact OE2-NH1 3.12Å |
| 180 | R | 90 | Very high | 94.1 | Very high | 18 Ų | 18 | 5.5 Ų | 5.5 | 7% | 0.068 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 8.6 | -177 | -63.8 | -62.9 | -174 | 172.1 | 2.8 | 114.3 | L178 Y182 R183 I184 R525 | L178-R180 PolarHBondContact O-N 3.4Å; R180-Y182 PolarHBondContact NH1-OH 3.18Å; R180-Y182 PolarHBondContact O-N 3.06Å; R180-R183 HydrophobicContact CB-CG 4.27Å; R180-R183 VanDerWaalsContact O-CG 3.27Å; R180-R183 WeakPolarHBondContact O-CG 3.27Å; R180-R183 PolarHBondContact O-N 2.78Å; R180-I184 HydrophobicContact CB-CD1 3.78Å; R180-I184 HydrophobicContact CB-CG1 4.32Å; R180-I184 WeakPolarHBondContact O-CG1 3.48Å; R180-I184 PolarHBondContact O-N 2.93Å; R180-R525 VanDerWaalsContact NH2-CG 3.3Å |
| 181 | A | 92.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 7.8 Ų | 7.8 | 2% | 0.017 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -52.8 | -34.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M141 L178 R183 I184 A211 N244 | M141-A181 HydrophobicContact CE-CB 3.73Å; L178-A181 WeakPolarHBondContact O-CB 3.34Å; L178-A181 PolarHBondContact O-N 3.32Å; A181-R183 PolarHBondContact O-N 3.13Å; A181-I184 PolarHBondContact O-N 2.91Å; A181-A211 HydrophobicContact CB-CB 3.36Å; A181-N244 WeakPolarHBondContact CB-OD1 3.42Å |
| 182 | Y | 87.8 | Confident | 93.5 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 0% | 0.004 | 4% | 0.038 | C | C | . | . | G | 310 helix | trans | -56.5 | -15.7 | 176.4 | 76.1 | -95.1 | 0 | 0 | 0 | 115.6 | R180 R243 N244 I247 | R180-Y182 PolarHBondContact NH1-OH 3.18Å; R180-Y182 PolarHBondContact O-N 3.06Å; Y182-R243 HydrophobicContact CD1-CB 3.84Å; Y182-R243 HydrophobicContact CD2-CB 4.32Å; Y182-R243 HydrophobicContact CE1-CB 3.86Å; Y182-R243 HydrophobicContact CE2-CB 4.35Å; Y182-R243 HydrophobicContact CG-CB 4.08Å; Y182-N244 WeakPolarHBondContact CB-OD1 3.4Å; Y182-N244 PolarHBondContact N-OD1 3.44Å; Y182-I247 HydrophobicContact CD2-CG1 3.97Å; Y182-I247 HydrophobicContact CG-CG1 4.25Å |
| 183 | R | 86.1 | Confident | 93.2 | Very high | 20 Ų | 20 | 8 Ų | 8 | 8% | 0.075 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -128.9 | 7.2 | -179.2 | 70.6 | 165.8 | -150.8 | -178.6 | 9.7 | 114.5 | Q113 R180 A181 P185 P818 | Q113-R183 VanDerWaalsContact NE2-NH2 3.19Å; R180-R183 HydrophobicContact CB-CG 4.27Å; R180-R183 VanDerWaalsContact O-CG 3.27Å; R180-R183 WeakPolarHBondContact O-CG 3.27Å; R180-R183 PolarHBondContact O-N 2.78Å; A181-R183 PolarHBondContact O-N 3.13Å; R183-P185 WeakPolarHBondContact O-CD 3.46Å; R183-P818 HydrophobicContact CB-CB 3.62Å; R183-P818 HydrophobicContact CB-CG 4.19Å |
| 184 | I | 89.3 | Confident | 92.7 | Very high | 6 Ų | 6 | 8.3 Ų | 8.3 | 3% | 0.031 | 4% | 0.039 | C | C | . | . | trans | -108.8 | 101.1 | -179.2 | -62.3 | 171.7 | 0 | 0 | 0 | 107.6 | F109 Q113 L139 M141 R180 A181 | F109-I184 HydrophobicContact CE1-CD1 3.87Å; F109-I184 HydrophobicContact CZ-CD1 3.91Å; F109-I184 HydrophobicContact CZ-CG2 4.29Å; Q113-I184 HydrophobicContact CB-CD1 4Å; Q113-I184 HydrophobicContact CB-CG1 4.12Å; Q113-I184 HydrophobicContact CG-CD1 4Å; Q113-I184 HydrophobicContact CG-CG1 4.48Å; L139-I184 HydrophobicContact CD1-CG2 4.28Å; L139-I184 HydrophobicContact CD2-CG2 4.35Å; M141-I184 HydrophobicContact CE-CD1 4.38Å; M141-I184 HydrophobicContact SD-CG2 4.26Å; R180-I184 HydrophobicContact CB-CD1 3.78Å; R180-I184 HydrophobicContact CB-CG1 4.32Å; R180-I184 WeakPolarHBondContact O-CG1 3.48Å; R180-I184 PolarHBondContact O-N 2.93Å; A181-I184 PolarHBondContact O-N 2.91Å | ||
| 185 | P | 90.3 | Very high | 92.3 | Very high | 21 Ų | 21 | 8.4 Ų | 8.4 | 14% | 0.136 | 4% | 0.039 | C | C | . | . | trans | -59.2 | 135.7 | 166.8 | -21.6 | 34.1 | 0 | 0 | 0 | 110.1 | L139 R183 T201 E202 L203 K817 | L139-P185 WeakPolarHBondContact CD2-O 3.47Å; R183-P185 WeakPolarHBondContact O-CD 3.46Å; P185-T201 WeakPolarHBondContact CB-OG1 3.4Å; P185-E202 CarbonylContact C-O 3.52Å; P185-E202 WeakPolarHBondContact CA-O 3.24Å; P185-L203 HydrophobicContact CG-CG 4.39Å; P185-K817 HydrophobicContact CG-CB 4.36Å | ||
| 186 | D | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | B | Isolated β-bridge | trans | -132.9 | -177.4 | -178.3 | 77.1 | -11.3 | 0 | 0 | 0 | 110.9 | L139 M141 G188 T201 E202 H204 S207 | L139-D186 HydrophobicContact CG-CB 4.02Å; L139-D186 WeakPolarHBondContact O-CB 3.37Å; M141-D186 WeakPolarHBondContact CB-OD2 3.47Å; M141-D186 HydrophobicContact CG-CB 4.12Å; M141-D186 PolarHBondContact N-OD2 3.13Å; D186-G188 VanDerWaalsContact C-N 3.29Å; D186-G188 PolarHBondContact OD1-N 2.97Å; D186-G188 VanDerWaalsContact OD1-N 3.12Å; D186-T201 WeakPolarHBondContact O-CA 3.34Å; D186-T201 WeakPolarHBondContact O-CB 3.36Å; D186-E202 PolarHBondContact N-O 2.97Å; D186-E202 PolarHBondContact O-N 2.89Å; D186-H204 PolarHBondContact O-CE1 3Å; D186-H204 VanDerWaalsContact O-CE1 3.22Å; D186-H204 PolarHBondContact O-ND1 2.74Å; D186-H204 IonicContact OD1-CE1 3.8Å; D186-H204 IonicContact OD1-CG 3.44Å; D186-H204 IonicContact OD1-ND1 3.87Å; D186-H204 PolarHBondContact OD1-ND1 3.48Å; D186-S207 PolarHBondContact OD1-OG 3.22Å; D186-S207 VanDerWaalsContact OD2-CB 3.3Å; D186-S207 WeakPolarHBondContact OD2-CB 3.41Å; D186-S207 PolarHBondContact OD2-OG 3.06Å |
| 187 | Y | 94.6 | Very high | 91.3 | Very high | 8 Ų | 8 | 9.7 Ų | 9.7 | 3% | 0.031 | 5% | 0.046 | C | C | . | . | trans | -85.7 | -3.2 | 177.5 | -68.8 | -82.1 | 0 | 0 | 0 | 113.7 | L115 K137 L139 E191 R192 G193 N199 T201 | L115-Y187 HydrophobicContact CD1-CE2 3.95Å; L115-Y187 HydrophobicContact CD2-CE2 4.32Å; K137-Y187 HydrophobicContact CB-CD1 3.84Å; K137-Y187 HydrophobicContact CB-CD2 3.7Å; K137-Y187 HydrophobicContact CB-CE1 4.16Å; K137-Y187 HydrophobicContact CB-CE2 4.06Å; K137-Y187 HydrophobicContact CB-CG 3.59Å; K137-Y187 HydrophobicContact CD-CD1 3.61Å; K137-Y187 HydrophobicContact CD-CE1 3.72Å; K137-Y187 HydrophobicContact CD-CG 4.25Å; K137-Y187 HydrophobicContact CG-CD1 3.71Å; K137-Y187 HydrophobicContact CG-CD2 4.22Å; K137-Y187 HydrophobicContact CG-CE1 3.62Å; K137-Y187 HydrophobicContact CG-CE2 4.17Å; K137-Y187 HydrophobicContact CG-CG 4.01Å; L139-Y187 HydrophobicContact CB-CD2 4.03Å; L139-Y187 HydrophobicContact CB-CE2 4.22Å; L139-Y187 PolarHBondContact O-N 2.77Å; Y187-E191 PolarHBondContact O-N 2.96Å; Y187-R192 PolarHBondContact O-N 2.9Å; Y187-G193 PolarHBondContact O-N 3.28Å; Y187-N199 WeakPolarHBondContact CE1-OD1 3.2Å; Y187-N199 VanDerWaalsContact CZ-OD1 3.31Å; Y187-N199 PolarHBondContact OH-OD1 3.35Å; Y187-T201 HydrophobicContact CD1-CG2 4.27Å; Y187-T201 HydrophobicContact CD2-CG2 3.89Å; Y187-T201 HydrophobicContact CE1-CG2 4Å; Y187-T201 HydrophobicContact CE2-CG2 3.54Å; Y187-T201 HydrophobicContact CG-CG2 4.22Å | ||
| 188 | G | 93.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -179 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D186 W190 E191 H204 | D186-G188 VanDerWaalsContact C-N 3.29Å; D186-G188 PolarHBondContact OD1-N 2.97Å; D186-G188 VanDerWaalsContact OD1-N 3.12Å; G188-W190 PolarHBondContact O-N 3.45Å; G188-E191 PolarHBondContact O-N 3.12Å; G188-H204 PolarHBondContact N-CE1 3.02Å; G188-H204 PolarHBondContact N-ND1 3.43Å |
| 189 | M | 95.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.02 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.4 | -177.1 | -173.2 | 170.6 | -68.7 | 0 | 0 | 114 | R55 D142 M210 P267 W411 | R55-M189 PolarHBondContact NH1-O 3.29Å; R55-M189 PolarHBondContact NH2-O 3.41Å; R55-M189 VanDerWaalsContact NH2-O 3.08Å; D142-M189 HydrophobicContact CB-CE 4.49Å; M189-M210 HydrophobicContact CE-CE 4.37Å; M189-P267 HydrophobicContact CE-CG 3.88Å; M189-P267 HydrophobicContact SD-CG 4.08Å; M189-W411 HydrophobicContact CG-CH2 3.95Å; M189-W411 HydrophobicContact SD-CH2 3.76Å; M189-W411 HydrophobicContact SD-CZ2 4.14Å |
| 190 | W | 94.4 | Very high | 89.8 | Confident | 20 Ų | 20 | 23.6 Ų | 23.6 | 8% | 0.076 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 3.4 | -177.1 | -53.4 | 128.5 | 0 | 0 | 0 | 114.8 | G188 R192 D262 R301 F302 W332 M334 F335 W411 | G188-W190 PolarHBondContact O-N 3.45Å; W190-R192 VanDerWaalsContact C-N 3.29Å; W190-R192 WeakPolarHBondContact O-CG 3.4Å; W190-R192 PolarHBondContact O-N 2.89Å; W190-D262 PolarHBondContact NE1-OD1 3.46Å; W190-D262 PolarHBondContact NE1-OD2 3.04Å; W190-R301 HydrophobicContact CD2-CG 4.41Å; W190-R301 HydrophobicContact CH2-CG 4.2Å; W190-R301 HydrophobicContact CZ2-CB 4.16Å; W190-R301 HydrophobicContact CZ2-CG 3.9Å; W190-F302 AromaticContact CD1-CD1 3.99Å; W190-F302 AromaticContact CD1-CE1 3.92Å; W190-W332 HydrophobicContact CZ3-CH2 4.45Å; W190-W332 HydrophobicContact CZ3-CZ3 4.43Å; W190-M334 HydrophobicContact CH2-CE 4.37Å; W190-F335 HydrophobicContact CH2-CE2 4.25Å; W190-F335 AromaticContact CH2-CZ 3.79Å; W190-F335 HydrophobicContact CH2-CZ 3.79Å; W190-F335 HydrophobicContact CZ2-CE2 4.37Å; W190-F335 AromaticContact CZ2-CZ 3.81Å; W190-F335 HydrophobicContact CZ2-CZ 3.81Å; W190-W411 HydrophobicContact CZ3-CH2 4.27Å; W190-W411 HydrophobicContact CZ3-CZ3 4.37Å |
| 191 | E | 92.9 | Very high | 89.9 | Confident | 48 Ų | 48 | 25.2 Ų | 25.2 | 22% | 0.224 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 33.4 | 174.2 | -24 | -170 | 133 | 0 | 0 | 113.1 | H53 Y136 K137 Q140 Y187 G188 | H53-E191 IonicContact CD2-OE1 2.58Å; H53-E191 IonicContact CE1-OE1 3.24Å; H53-E191 IonicContact NE2-OE1 2.9Å; H53-E191 PolarHBondContact NE2-OE1 3.42Å; Y136-E191 VanDerWaalsContact CE2-OE2 3.3Å; Y136-E191 WeakPolarHBondContact CE2-OE2 3.14Å; Y136-E191 PolarHBondContact OH-OE1 3.44Å; Y136-E191 PolarHBondContact OH-OE2 2.99Å; K137-E191 HydrophobicContact CB-CB 4.5Å; K137-E191 WeakPolarHBondContact CD-O 3.24Å; Q140-E191 VanDerWaalsContact NE2-CG 3.25Å; Q140-E191 PolarHBondContact NE2-OE1 2.98Å; Y187-E191 PolarHBondContact O-N 2.96Å; G188-E191 PolarHBondContact O-N 3.12Å |
| 192 | R | 90.6 | Very high | 89.7 | Confident | 11 Ų | 11 | 25.8 Ų | 25.8 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | trans | -119.1 | -31.9 | -175.9 | -62.9 | -178.6 | 78.8 | 91.6 | 3.8 | 115.2 | Y187 W190 T194 N197 S315 Y317 | Y187-R192 PolarHBondContact O-N 2.9Å; W190-R192 VanDerWaalsContact C-N 3.29Å; W190-R192 WeakPolarHBondContact O-CG 3.4Å; W190-R192 PolarHBondContact O-N 2.89Å; R192-T194 PolarHBondContact O-N 3.05Å; R192-N197 WeakPolarHBondContact CA-OD1 3.33Å; R192-N197 HydrophobicContact CB-CB 4.18Å; R192-N197 WeakPolarHBondContact CB-OD1 3.24Å; R192-N197 HydrophobicContact CG-CB 4.25Å; R192-N197 VanDerWaalsContact CZ-CB 3.43Å; R192-N197 PolarHBondContact O-OD1 3Å; R192-S315 PolarHBondContact NH2-O 3.12Å; R192-S315 VanDerWaalsContact NH2-O 3.16Å; R192-Y317 PolarHBondContact NH2-OH 3.22Å | ||
| 193 | G | 90.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 70.1 | -110.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y187 M200 H204 K259 | Y187-G193 PolarHBondContact O-N 3.28Å; G193-M200 CarbonylContact C-O 3.48Å; G193-M200 WeakPolarHBondContact CA-O 3.42Å; G193-H204 PolarHBondContact O-NE2 3.31Å; G193-K259 VanDerWaalsContact O-CE 3.23Å; G193-K259 WeakPolarHBondContact O-CE 3.21Å; G193-K259 PolarHBondContact O-NZ 2.97Å |
| 194 | T | 89 | Confident | 90.1 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -64.9 | 160.3 | 174.5 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | R192 Q196 N197 M200 E202 | R192-T194 PolarHBondContact O-N 3.05Å; T194-Q196 PolarHBondContact O-N 3.1Å; T194-N197 PolarHBondContact O-N 3.19Å; T194-N197 VanDerWaalsContact O-N 3.11Å; T194-N197 PolarHBondContact OG1-N 3.3Å; T194-M200 HydrophobicContact CG2-CB 3.58Å; T194-M200 PolarHBondContact N-O 3.22Å; T194-E202 HydrophobicContact CG2-CG 3.96Å |
| 195 | K | 87.4 | Confident | 90.4 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -40.1 | 171.3 | -79.9 | -179.7 | 170.9 | 156.1 | 0 | 112.9 | N197 S258 K259 F302 L322 D1103 | K195-N197 PolarHBondContact O-N 3.32Å; K195-S258 WeakPolarHBondContact CD-O 3.24Å; K195-S258 WeakPolarHBondContact CE-O 3.44Å; K195-S258 PolarHBondContact N-OG 2.87Å; K195-S258 VanDerWaalsContact N-OG 3.1Å; K195-S258 PolarHBondContact NZ-O 3Å; K195-K259 HydrophobicContact CG-CG 3.83Å; K195-F302 HydrophobicContact CG-CD2 4.18Å; K195-F302 HydrophobicContact CG-CE2 4.08Å; K195-L322 HydrophobicContact CB-CD1 4.01Å; K195-D1103 IonicContact NZ-OD1 2.94Å; K195-D1103 IonicContact NZ-OD2 3.23Å |
| 196 | Q | 85.6 | Confident | 90.7 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 9% | 0.093 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.4 | -178.5 | -61.4 | 79.1 | 2.2 | 0 | 0 | 113.1 | T194 R198 Y317 L322 | T194-Q196 PolarHBondContact O-N 3.1Å; Q196-R198 VanDerWaalsContact C-N 3.28Å; Q196-R198 HydrophobicContact CB-CG 4.01Å; Q196-R198 PolarHBondContact O-N 3.02Å; Q196-Y317 PolarHBondContact O-N 2.96Å; Q196-L322 HydrophobicContact CG-CD1 4.03Å |
| 197 | N | 87.1 | Confident | 90.8 | Very high | 9 Ų | 9 | 25 Ų | 25 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | trans | 62.9 | 25.3 | 178.8 | -164.4 | 29.8 | 0 | 0 | 0 | 115.8 | K137 R192 T194 K195 N199 S315 | K137-N197 PolarHBondContact NZ-O 2.88Å; K137-N197 VanDerWaalsContact NZ-O 3.14Å; K137-N197 PolarHBondContact NZ-OD1 2.89Å; R192-N197 WeakPolarHBondContact CA-OD1 3.33Å; R192-N197 HydrophobicContact CB-CB 4.18Å; R192-N197 WeakPolarHBondContact CB-OD1 3.24Å; R192-N197 HydrophobicContact CG-CB 4.25Å; R192-N197 VanDerWaalsContact CZ-CB 3.43Å; R192-N197 PolarHBondContact O-OD1 3Å; T194-N197 PolarHBondContact O-N 3.19Å; T194-N197 VanDerWaalsContact O-N 3.11Å; T194-N197 PolarHBondContact OG1-N 3.3Å; K195-N197 PolarHBondContact O-N 3.32Å; N197-N199 PolarHBondContact O-N 3.23Å; N197-S315 WeakPolarHBondContact CB-O 3.39Å; N197-S315 PolarHBondContact ND2-O 2.69Å | ||
| 198 | R | 84 | Confident | 90.9 | Very high | 92 Ų | 92 | 24.7 Ų | 24.7 | 35% | 0.347 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -84.3 | 46.8 | -178.8 | -61 | -174 | -170.1 | 151 | 11.5 | 113.3 | Q196 M200 Y317 P319 | Q196-R198 VanDerWaalsContact C-N 3.28Å; Q196-R198 HydrophobicContact CB-CG 4.01Å; Q196-R198 PolarHBondContact O-N 3.02Å; R198-M200 PolarHBondContact O-N 2.87Å; R198-M200 VanDerWaalsContact O-N 3.09Å; R198-Y317 VanDerWaalsContact CZ-O 3.26Å; R198-Y317 PolarHBondContact NE-O 3.47Å; R198-Y317 PolarHBondContact NH2-O 2.93Å; R198-P319 VanDerWaalsContact NH2-CG 3.34Å |
| 199 | N | 84.5 | Confident | 91 | Very high | 84 Ų | 84 | 24.6 Ų | 24.6 | 45% | 0.449 | 12% | 0.119 | S | C | . | . | S | Bend | trans | 53.8 | 31.4 | 178.1 | -155.6 | 29.1 | 0 | 0 | 0 | 115.7 | Y187 N197 | Y187-N199 WeakPolarHBondContact CE1-OD1 3.2Å; Y187-N199 VanDerWaalsContact CZ-OD1 3.31Å; Y187-N199 PolarHBondContact OH-OD1 3.35Å; N197-N199 PolarHBondContact O-N 3.23Å |
| 200 | M | 86.4 | Confident | 91.1 | Very high | 120 Ų | 120 | 24.5 Ų | 24.5 | 59% | 0.591 | 12% | 0.119 | S | C | * | . | trans | -111.4 | 121.5 | 179.2 | -72.9 | -177.4 | 70.9 | 0 | 0 | 110.5 | G193 T194 R198 | G193-M200 CarbonylContact C-O 3.48Å; G193-M200 WeakPolarHBondContact CA-O 3.42Å; T194-M200 HydrophobicContact CG2-CB 3.58Å; T194-M200 PolarHBondContact N-O 3.22Å; R198-M200 PolarHBondContact O-N 2.87Å; R198-M200 VanDerWaalsContact O-N 3.09Å | ||
| 201 | T | 90.6 | Very high | 91.2 | Very high | 52 Ų | 52 | 23.5 Ų | 23.5 | 32% | 0.319 | 12% | 0.115 | S | C | . | . | trans | -79.4 | 149.1 | 179.1 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | P185 D186 Y187 | P185-T201 WeakPolarHBondContact CB-OG1 3.4Å; D186-T201 WeakPolarHBondContact O-CA 3.34Å; D186-T201 WeakPolarHBondContact O-CB 3.36Å; Y187-T201 HydrophobicContact CD1-CG2 4.27Å; Y187-T201 HydrophobicContact CD2-CG2 3.89Å; Y187-T201 HydrophobicContact CE1-CG2 4Å; Y187-T201 HydrophobicContact CE2-CG2 3.54Å; Y187-T201 HydrophobicContact CG-CG2 4.22Å | ||
| 202 | E | 88.8 | Confident | 91.3 | Very high | 14 Ų | 14 | 21.5 Ų | 21.5 | 7% | 0.065 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -131.9 | 159 | 176.1 | -64.3 | -174.7 | 152.7 | 0 | 0 | 110.9 | P185 D186 T194 H204 S256 S258 | P185-E202 CarbonylContact C-O 3.52Å; P185-E202 WeakPolarHBondContact CA-O 3.24Å; D186-E202 PolarHBondContact N-O 2.97Å; D186-E202 PolarHBondContact O-N 2.89Å; T194-E202 HydrophobicContact CG2-CG 3.96Å; E202-H204 PolarHBondContact O-CE1 2.64Å; E202-H204 PolarHBondContact O-N 2.83Å; E202-H204 PolarHBondContact O-ND1 3Å; E202-S256 WeakPolarHBondContact OE2-CB 3.3Å; E202-S256 PolarHBondContact OE2-OG 3.32Å; E202-S258 WeakPolarHBondContact OE1-CB 3.24Å; E202-S258 PolarHBondContact OE1-N 2.9Å; E202-S258 PolarHBondContact OE1-OG 3.47Å; E202-S258 PolarHBondContact OE2-N 2.91Å; E202-S258 PolarHBondContact OE2-OG 3.27Å |
| 203 | L | 89.9 | Confident | 91.5 | Very high | 26 Ų | 26 | 21 Ų | 21 | 14% | 0.136 | 10% | 0.104 | C | C | . | . | trans | -73.8 | 114.2 | 166.4 | -76 | 170.7 | 0 | 0 | 0 | 109.4 | P185 I208 S256 V798 P818 | P185-L203 HydrophobicContact CG-CG 4.39Å; L203-I208 HydrophobicContact CD2-CD1 4.2Å; L203-S256 WeakPolarHBondContact O-CA 3.49Å; L203-S256 WeakPolarHBondContact O-CB 3.31Å; L203-V798 HydrophobicContact CD1-CG2 4.47Å; L203-P818 HydrophobicContact CD1-CG 3.78Å | ||
| 204 | H | 93.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | trans | -97.9 | 124.5 | 176.9 | -66.6 | 95.8 | 0 | 0 | 0 | 110.8 | D186 G188 G193 E202 S206 S207 I208 E255 K259 | D186-H204 PolarHBondContact O-CE1 3Å; D186-H204 VanDerWaalsContact O-CE1 3.22Å; D186-H204 PolarHBondContact O-ND1 2.74Å; D186-H204 IonicContact OD1-CE1 3.8Å; D186-H204 IonicContact OD1-CG 3.44Å; D186-H204 IonicContact OD1-ND1 3.87Å; D186-H204 PolarHBondContact OD1-ND1 3.48Å; G188-H204 PolarHBondContact N-CE1 3.02Å; G188-H204 PolarHBondContact N-ND1 3.43Å; G193-H204 PolarHBondContact O-NE2 3.31Å; E202-H204 PolarHBondContact O-CE1 2.64Å; E202-H204 PolarHBondContact O-N 2.83Å; E202-H204 PolarHBondContact O-ND1 3Å; H204-S206 VanDerWaalsContact C-N 3.26Å; H204-S206 PolarHBondContact O-N 2.74Å; H204-S207 PolarHBondContact O-N 3.46Å; H204-I208 WeakPolarHBondContact O-CG1 3.38Å; H204-I208 PolarHBondContact O-N 3.44Å; H204-I208 VanDerWaalsContact O-N 3.12Å; H204-E255 WeakPolarHBondContact CB-OE1 3.48Å; H204-E255 IonicContact CD2-OE1 3.04Å; H204-E255 PolarHBondContact CD2-OE1 3.21Å; H204-E255 IonicContact CG-OE1 3.03Å; H204-K259 PolarHBondContact NE2-NZ 2.87Å | ||
| 205 | A | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.8 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S207 I208 C209 L251 L252 E255 L265 | A205-S207 PolarHBondContact O-N 3.3Å; A205-I208 PolarHBondContact O-N 3.04Å; A205-C209 VanDerWaalsContact O-CB 3.28Å; A205-C209 WeakPolarHBondContact O-CB 3.14Å; A205-C209 PolarHBondContact O-N 2.93Å; A205-C209 PolarHBondContact O-SG 3.32Å; A205-L251 HydrophobicContact CB-CB 4.03Å; A205-L251 HydrophobicContact CB-CD1 4.35Å; A205-L252 HydrophobicContact CB-CD2 4.02Å; A205-L252 HydrophobicContact CB-CG 4.48Å; A205-E255 PolarHBondContact N-O 2.74Å; A205-E255 PolarHBondContact N-OE2 2.88Å; A205-L265 HydrophobicContact CB-CD2 3.96Å |
| 206 | S | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 174.4 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | H204 C209 M210 E255 S264 | H204-S206 VanDerWaalsContact C-N 3.26Å; H204-S206 PolarHBondContact O-N 2.74Å; S206-C209 WeakPolarHBondContact O-CB 3.42Å; S206-C209 PolarHBondContact O-N 3.22Å; S206-M210 WeakPolarHBondContact O-CG 3.27Å; S206-M210 PolarHBondContact O-N 2.77Å; S206-E255 VanDerWaalsContact CB-OE1 3.31Å; S206-E255 WeakPolarHBondContact CB-OE1 3.4Å; S206-E255 PolarHBondContact N-OE2 3.31Å; S206-E255 PolarHBondContact OG-OE1 3.02Å; S206-S264 WeakPolarHBondContact CB-O 3.46Å; S206-S264 WeakPolarHBondContact CB-OG 3.49Å; S206-S264 PolarHBondContact OG-OG 3.12Å |
| 207 | S | 97.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 176 | -73 | 0 | 0 | 0 | 0 | 112.6 | D186 H204 A205 M210 A211 | D186-S207 PolarHBondContact OD1-OG 3.22Å; D186-S207 VanDerWaalsContact OD2-CB 3.3Å; D186-S207 WeakPolarHBondContact OD2-CB 3.41Å; D186-S207 PolarHBondContact OD2-OG 3.06Å; H204-S207 PolarHBondContact O-N 3.46Å; A205-S207 PolarHBondContact O-N 3.3Å; S207-M210 PolarHBondContact O-N 2.72Å; S207-A211 WeakPolarHBondContact O-CB 3.45Å; S207-A211 PolarHBondContact O-N 2.88Å |
| 208 | I | 96 | Very high | 92.7 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.8 | -38.9 | 179.5 | -60.2 | 163.7 | 0 | 0 | 0 | 110.6 | L203 H204 A205 A211 K212 N244 I247 M248 L251 | L203-I208 HydrophobicContact CD2-CD1 4.2Å; H204-I208 WeakPolarHBondContact O-CG1 3.38Å; H204-I208 PolarHBondContact O-N 3.44Å; H204-I208 VanDerWaalsContact O-N 3.12Å; A205-I208 PolarHBondContact O-N 3.04Å; I208-A211 PolarHBondContact O-N 3.38Å; I208-K212 VanDerWaalsContact O-CB 3.23Å; I208-K212 WeakPolarHBondContact O-CB 3.27Å; I208-K212 PolarHBondContact O-N 3.47Å; I208-N244 HydrophobicContact CG2-CB 4.09Å; I208-N244 WeakPolarHBondContact CG2-O 3.5Å; I208-I247 HydrophobicContact CD1-CG2 3.79Å; I208-M248 HydrophobicContact CG2-CB 3.93Å; I208-L251 HydrophobicContact CD1-CD1 3.52Å |
| 209 | C | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -55.5 | -49.8 | 171.6 | -84.4 | 0 | 0 | 0 | 0 | 111.2 | A205 S206 K212 A213 M248 A268 | A205-C209 VanDerWaalsContact O-CB 3.28Å; A205-C209 WeakPolarHBondContact O-CB 3.14Å; A205-C209 PolarHBondContact O-N 2.93Å; A205-C209 PolarHBondContact O-SG 3.32Å; S206-C209 WeakPolarHBondContact O-CB 3.42Å; S206-C209 PolarHBondContact O-N 3.22Å; C209-K212 PolarHBondContact O-N 3.34Å; C209-A213 WeakPolarHBondContact O-CB 3.44Å; C209-A213 PolarHBondContact O-N 3.36Å; C209-M248 HydrophobicContact CB-SD 4.36Å; C209-M248 WeakPolarHBondContact SG-CG 3.33Å; C209-M248 PolarHBondContact SG-SD 2.97Å; C209-A268 HydrophobicContact CB-CB 3.69Å |
| 210 | M | 96.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 177.8 | -78.6 | -72.3 | -172.8 | 0 | 0 | 112.3 | D142 L146 I149 M189 S206 S207 A213 A214 P267 P272 A273 | D142-M210 HydrophobicContact CB-CB 4.34Å; D142-M210 HydrophobicContact CB-CG 4.16Å; L146-M210 HydrophobicContact CB-SD 4.46Å; I149-M210 HydrophobicContact CD1-SD 4.06Å; M189-M210 HydrophobicContact CE-CE 4.37Å; S206-M210 WeakPolarHBondContact O-CG 3.27Å; S206-M210 PolarHBondContact O-N 2.77Å; S207-M210 PolarHBondContact O-N 2.72Å; M210-A213 WeakPolarHBondContact O-CB 3.48Å; M210-A213 PolarHBondContact O-N 3.04Å; M210-A214 WeakPolarHBondContact O-CB 3.41Å; M210-A214 PolarHBondContact O-N 3.32Å; M210-P267 HydrophobicContact CE-CB 4.16Å; M210-P272 HydrophobicContact CE-CG 4.36Å; M210-A273 HydrophobicContact CE-CB 3.94Å; M210-A273 HydrophobicContact CG-CB 4.43Å; M210-A273 HydrophobicContact SD-CB 3.48Å; M210-A273 WeakPolarHBondContact SD-CB 3.31Å |
| 211 | A | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L178 A181 S207 I208 A213 A214 L215 | L178-A211 HydrophobicContact CB-CB 4.34Å; L178-A211 HydrophobicContact CD2-CB 3.97Å; A181-A211 HydrophobicContact CB-CB 3.36Å; S207-A211 WeakPolarHBondContact O-CB 3.45Å; S207-A211 PolarHBondContact O-N 2.88Å; I208-A211 PolarHBondContact O-N 3.38Å; A211-A213 VanDerWaalsContact C-N 3.27Å; A211-A213 PolarHBondContact O-N 3.46Å; A211-A214 WeakPolarHBondContact O-CB 3.46Å; A211-A214 PolarHBondContact O-N 2.87Å; A211-L215 WeakPolarHBondContact O-CG 2.93Å; A211-L215 PolarHBondContact O-N 3.08Å |
| 212 | K | 94.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 5.5 Ų | 5.5 | 2% | 0.022 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -56.8 | -44.8 | 175.5 | 179 | -82.4 | -165.6 | 178.3 | 0 | 110.9 | I208 C209 A214 L215 E216 N244 R245 G275 | I208-K212 VanDerWaalsContact O-CB 3.23Å; I208-K212 WeakPolarHBondContact O-CB 3.27Å; I208-K212 PolarHBondContact O-N 3.47Å; C209-K212 PolarHBondContact O-N 3.34Å; K212-A214 VanDerWaalsContact C-N 3.35Å; K212-A214 PolarHBondContact O-N 3.16Å; K212-L215 WeakPolarHBondContact O-CB 3.42Å; K212-L215 PolarHBondContact O-N 3.04Å; K212-E216 HydrophobicContact CD-CG 4.31Å; K212-E216 WeakPolarHBondContact CE-OE1 3.49Å; K212-E216 IonicContact NZ-OE1 3.4Å; K212-E216 PolarHBondContact NZ-OE1 2.91Å; K212-E216 IonicContact NZ-OE2 2.76Å; K212-E216 PolarHBondContact NZ-OE2 3.43Å; K212-E216 PolarHBondContact O-N 3.4Å; K212-N244 HydrophobicContact CB-CB 4.05Å; K212-N244 HydrophobicContact CG-CB 4.45Å; K212-R245 HydrophobicContact CG-CB 4.48Å; K212-G275 VanDerWaalsContact CD-O 3.23Å; K212-G275 WeakPolarHBondContact CD-O 3.39Å; K212-G275 WeakPolarHBondContact CE-O 3.4Å; K212-G275 PolarHBondContact NZ-O 3.37Å |
| 213 | A | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I149 C209 M210 A211 E216 S217 A273 R437 | I149-A213 HydrophobicContact CD1-CB 3.67Å; I149-A213 HydrophobicContact CG1-CB 4.39Å; C209-A213 WeakPolarHBondContact O-CB 3.44Å; C209-A213 PolarHBondContact O-N 3.36Å; M210-A213 WeakPolarHBondContact O-CB 3.48Å; M210-A213 PolarHBondContact O-N 3.04Å; A211-A213 VanDerWaalsContact C-N 3.27Å; A211-A213 PolarHBondContact O-N 3.46Å; A213-E216 PolarHBondContact O-N 3.06Å; A213-S217 PolarHBondContact O-N 3.12Å; A213-S217 VanDerWaalsContact O-N 3.13Å; A213-S217 PolarHBondContact O-OG 3.36Å; A213-A273 HydrophobicContact CB-CB 4.06Å; A213-A273 WeakPolarHBondContact CB-O 3.08Å; A213-R437 PolarHBondContact O-NH2 3.45Å; A213-R437 VanDerWaalsContact O-NH2 3.16Å |
| 214 | A | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 6.5 Ų | 6.5 | 1% | 0.008 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V148 I149 L178 M210 A211 K212 E216 S217 V218 | V148-A214 HydrophobicContact CB-CB 3.94Å; V148-A214 HydrophobicContact CG1-CB 3.86Å; I149-A214 HydrophobicContact CD1-CB 4.46Å; I149-A214 HydrophobicContact CG1-CB 3.97Å; L178-A214 HydrophobicContact CD1-CB 3.64Å; M210-A214 WeakPolarHBondContact O-CB 3.41Å; M210-A214 PolarHBondContact O-N 3.32Å; A211-A214 WeakPolarHBondContact O-CB 3.46Å; A211-A214 PolarHBondContact O-N 2.87Å; K212-A214 VanDerWaalsContact C-N 3.35Å; K212-A214 PolarHBondContact O-N 3.16Å; A214-E216 VanDerWaalsContact C-N 3.27Å; A214-E216 PolarHBondContact O-N 3.19Å; A214-S217 WeakPolarHBondContact O-CB 3.47Å; A214-S217 PolarHBondContact O-N 3.43Å; A214-V218 PolarHBondContact O-N 2.96Å |
| 215 | L | 94.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -56.5 | -41.6 | 176.1 | -67.9 | 178.2 | 0 | 0 | 0 | 111.6 | V175 L178 E179 A211 K212 S217 V218 A219 M236 H241 | V175-L215 HydrophobicContact CG1-CD2 3.69Å; L178-L215 HydrophobicContact CB-CD2 4.17Å; E179-L215 HydrophobicContact CG-CD2 4.06Å; A211-L215 WeakPolarHBondContact O-CG 2.93Å; A211-L215 PolarHBondContact O-N 3.08Å; K212-L215 WeakPolarHBondContact O-CB 3.42Å; K212-L215 PolarHBondContact O-N 3.04Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.06Å; L215-V218 VanDerWaalsContact O-CG2 3.29Å; L215-V218 WeakPolarHBondContact O-CG2 3.46Å; L215-A219 PolarHBondContact O-N 3.1Å; L215-M236 HydrophobicContact CB-CG 3.89Å; L215-M236 HydrophobicContact CB-SD 4.29Å; L215-M236 HydrophobicContact CD2-CG 3.94Å; L215-M236 HydrophobicContact CG-CG 4.37Å; L215-M236 WeakPolarHBondContact O-CE 3.39Å; L215-H241 HydrophobicContact CD1-CB 4.41Å |
| 216 | E | 90.5 | Very high | 93.2 | Very high | 22 Ų | 22 | 14.4 Ų | 14.4 | 10% | 0.103 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.1 | -35.5 | 174.9 | -73.1 | -175.8 | 160.9 | 0 | 0 | 113.6 | K212 A213 A214 A219 H241 F456 | K212-E216 HydrophobicContact CD-CG 4.31Å; K212-E216 WeakPolarHBondContact CE-OE1 3.49Å; K212-E216 IonicContact NZ-OE1 3.4Å; K212-E216 PolarHBondContact NZ-OE1 2.91Å; K212-E216 IonicContact NZ-OE2 2.76Å; K212-E216 PolarHBondContact NZ-OE2 3.43Å; K212-E216 PolarHBondContact O-N 3.4Å; A213-E216 PolarHBondContact O-N 3.06Å; A214-E216 VanDerWaalsContact C-N 3.27Å; A214-E216 PolarHBondContact O-N 3.19Å; E216-A219 WeakPolarHBondContact O-CB 3.42Å; E216-H241 VanDerWaalsContact CG-CD2 3.48Å; E216-H241 WeakPolarHBondContact CG-CD2 3.46Å; E216-H241 WeakPolarHBondContact CG-NE2 3.49Å; E216-H241 IonicContact OE1-CE1 2.68Å; E216-H241 IonicContact OE1-NE2 3.35Å; E216-H241 PolarHBondContact OE1-NE2 3.06Å; E216-F456 HydrophobicContact CB-CE2 4.25Å; E216-F456 HydrophobicContact CG-CD2 4.49Å; E216-F456 HydrophobicContact CG-CE2 4Å; E216-F456 HydrophobicContact CG-CZ 4.39Å |
| 217 | S | 91.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 6% | 0.056 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.6 | -35.9 | -176.4 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | V152 A213 A214 L215 A219 R437 | V152-S217 WeakPolarHBondContact CG1-O 3.48Å; A213-S217 PolarHBondContact O-N 3.12Å; A213-S217 VanDerWaalsContact O-N 3.13Å; A213-S217 PolarHBondContact O-OG 3.36Å; A214-S217 WeakPolarHBondContact O-CB 3.47Å; A214-S217 PolarHBondContact O-N 3.43Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.06Å; S217-A219 VanDerWaalsContact C-N 3.3Å; S217-A219 PolarHBondContact O-N 3.37Å; S217-R437 PolarHBondContact OG-NE 3.49Å |
| 218 | V | 92.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -80.8 | -9.7 | 179.4 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | V148 V152 V175 A214 L215 G220 F221 L234 M236 | V148-V218 HydrophobicContact CG1-CG1 3.31Å; V152-V218 HydrophobicContact CG2-CG1 3.98Å; V175-V218 HydrophobicContact CG1-CG2 4.15Å; V175-V218 HydrophobicContact CG2-CB 4.35Å; V175-V218 HydrophobicContact CG2-CG1 4.25Å; V175-V218 HydrophobicContact CG2-CG2 3.95Å; A214-V218 PolarHBondContact O-N 2.96Å; L215-V218 VanDerWaalsContact O-CG2 3.29Å; L215-V218 WeakPolarHBondContact O-CG2 3.46Å; V218-G220 PolarHBondContact O-N 3.46Å; V218-F221 PolarHBondContact O-N 3.08Å; V218-L234 HydrophobicContact CB-CB 4.13Å; V218-L234 HydrophobicContact CB-CD1 4.02Å; V218-L234 HydrophobicContact CG1-CD1 3.92Å; V218-M236 HydrophobicContact CG2-CB 4.36Å |
| 219 | A | 86.5 | Confident | 91.7 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 97.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L215 E216 S217 F221 M236 L455 F456 | L215-A219 PolarHBondContact O-N 3.1Å; E216-A219 WeakPolarHBondContact O-CB 3.42Å; S217-A219 VanDerWaalsContact C-N 3.3Å; S217-A219 PolarHBondContact O-N 3.37Å; A219-F221 PolarHBondContact O-N 3.46Å; A219-M236 HydrophobicContact CB-CE 3.21Å; A219-L455 HydrophobicContact CB-CB 4.29Å; A219-L455 HydrophobicContact CB-CD1 3.95Å; A219-L455 WeakPolarHBondContact O-CD1 3.33Å; A219-L455 WeakPolarHBondContact O-CG 3.3Å; A219-F456 HydrophobicContact CB-CD2 4.23Å; A219-F456 HydrophobicContact CB-CE2 3.56Å; A219-F456 HydrophobicContact CB-CZ 4.4Å |
| 220 | G | 84.2 | Confident | 91 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 11% | 0.113 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 13.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V218 L234 E453 | V218-G220 PolarHBondContact O-N 3.46Å; G220-L234 PolarHBondContact N-O 3.41Å; G220-E453 WeakPolarHBondContact O-CG 3.17Å |
| 221 | F | 91.3 | Very high | 90.4 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | trans | -78.3 | 132.2 | -179.4 | 179.8 | -106.4 | 0 | 0 | 0 | 111 | V152 I155 H156 V218 A219 I223 L234 E453 | V152-F221 HydrophobicContact CB-CD1 4.4Å; V152-F221 HydrophobicContact CB-CE1 4.23Å; V152-F221 HydrophobicContact CB-CZ 4.48Å; V152-F221 HydrophobicContact CG1-CD1 4Å; V152-F221 HydrophobicContact CG1-CD2 3.89Å; V152-F221 HydrophobicContact CG1-CE1 3.97Å; V152-F221 HydrophobicContact CG1-CE2 3.87Å; V152-F221 HydrophobicContact CG1-CG 3.94Å; V152-F221 HydrophobicContact CG1-CZ 3.9Å; V152-F221 HydrophobicContact CG2-CD1 3.91Å; V152-F221 HydrophobicContact CG2-CE1 4.09Å; V152-F221 HydrophobicContact CG2-CG 4.45Å; I155-F221 HydrophobicContact CB-CE1 4.16Å; I155-F221 HydrophobicContact CB-CZ 3.9Å; I155-F221 HydrophobicContact CG2-CE1 3.99Å; I155-F221 HydrophobicContact CG2-CZ 3.71Å; H156-F221 HydrophobicContact CB-CE2 3.97Å; H156-F221 HydrophobicContact CB-CZ 4.28Å; V218-F221 PolarHBondContact O-N 3.08Å; A219-F221 PolarHBondContact O-N 3.46Å; F221-I223 HydrophobicContact CD1-CD1 4.19Å; F221-I223 HydrophobicContact CE1-CD1 4Å; F221-I223 PolarHBondContact O-N 3.07Å; F221-L234 PolarHBondContact O-N 3.35Å; F221-E453 WeakPolarHBondContact CA-OE2 3.29Å | ||
| 222 | N | 93.5 | Very high | 90 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -79.5 | 113.5 | 171.1 | -156 | -40.8 | 0 | 0 | 0 | 112 | Y224 G225 G228 G229 S232 I233 E453 | N222-Y224 PolarHBondContact O-N 3.1Å; N222-Y224 PolarHBondContact OD1-N 3.08Å; N222-G225 WeakPolarHBondContact O-CA 3.19Å; N222-G225 PolarHBondContact O-N 3.03Å; N222-G228 WeakPolarHBondContact ND2-CA 3.31Å; N222-G228 PolarHBondContact ND2-O 2.94Å; N222-G228 WeakPolarHBondContact OD1-CA 3.32Å; N222-G229 PolarHBondContact ND2-O 3.38Å; N222-S232 PolarHBondContact ND2-OG 3.45Å; N222-S232 WeakPolarHBondContact OD1-CB 3.41Å; N222-S232 PolarHBondContact OD1-OG 2.91Å; N222-I233 HydrophobicContact CB-CG1 4.48Å; N222-E453 PolarHBondContact N-OE2 3.34Å |
| 223 | I | 94.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -10.6 | -174.8 | -157.5 | 61.2 | 0 | 0 | 0 | 113.9 | L151 I155 V162 V168 V171 F221 G225 S232 L234 | L151-I223 HydrophobicContact CD2-CD1 4.02Å; L151-I223 HydrophobicContact CG-CD1 4.31Å; I155-I223 HydrophobicContact CD1-CD1 3.63Å; I155-I223 HydrophobicContact CD1-CG1 4.17Å; V162-I223 HydrophobicContact CB-CG1 4.21Å; V162-I223 HydrophobicContact CG1-CG1 4.4Å; V162-I223 HydrophobicContact CG1-CG2 4.25Å; V162-I223 HydrophobicContact CG2-CG1 3.88Å; V168-I223 HydrophobicContact CB-CG2 4.29Å; V168-I223 HydrophobicContact CG1-CG2 4.04Å; V168-I223 HydrophobicContact CG2-CG2 3.62Å; V171-I223 HydrophobicContact CG1-CD1 4.35Å; F221-I223 HydrophobicContact CD1-CD1 4.19Å; F221-I223 HydrophobicContact CE1-CD1 4Å; F221-I223 PolarHBondContact O-N 3.07Å; I223-G225 VanDerWaalsContact C-N 3.34Å; I223-S232 WeakPolarHBondContact CG2-O 3.2Å; I223-S232 PolarHBondContact N-O 3.49Å; I223-S232 VanDerWaalsContact N-O 3.15Å; I223-L234 HydrophobicContact CB-CD1 4.23Å; I223-L234 HydrophobicContact CB-CG 4.2Å; I223-L234 HydrophobicContact CD1-CD1 3.82Å; I223-L234 HydrophobicContact CG1-CD1 4.21Å |
| 224 | Y | 95 | Very high | 89.8 | Confident | 60 Ų | 60 | 35 Ų | 35 | 24% | 0.235 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4.9 | 168 | -66.2 | -39.3 | 0 | 0 | 0 | 113.2 | V162 Y163 T164 K165 V168 N222 S232 | V162-Y224 HydrophobicContact CB-CE1 4.44Å; V162-Y224 HydrophobicContact CG1-CD1 4.34Å; V162-Y224 HydrophobicContact CG1-CE1 3.87Å; V162-Y224 VanDerWaalsContact O-CD1 3.29Å; V162-Y224 WeakPolarHBondContact O-CD1 3.47Å; V162-Y224 WeakPolarHBondContact O-CE1 3.41Å; Y163-Y224 PolarHBondContact O-OH 3.22Å; T164-Y224 WeakPolarHBondContact CA-OH 3.49Å; T164-Y224 PolarHBondContact N-OH 3.04Å; T164-Y224 PolarHBondContact O-OH 2.93Å; K165-Y224 PolarHBondContact N-OH 3.34Å; V168-Y224 HydrophobicContact CG2-CE1 3.97Å; V168-Y224 HydrophobicContact CG2-CE2 4.18Å; N222-Y224 PolarHBondContact O-N 3.1Å; N222-Y224 PolarHBondContact OD1-N 3.08Å; Y224-S232 VanDerWaalsContact CD2-CB 3.4Å; Y224-S232 WeakPolarHBondContact CD2-OG 3.47Å |
| 225 | G | 90.8 | Very high | 89.6 | Confident | 14 Ų | 14 | 35.8 Ų | 35.8 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | 68.9 | -148.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N222 I223 E227 G228 | N222-G225 WeakPolarHBondContact O-CA 3.19Å; N222-G225 PolarHBondContact O-N 3.03Å; I223-G225 VanDerWaalsContact C-N 3.34Å; G225-E227 PolarHBondContact O-N 2.86Å; G225-G228 PolarHBondContact O-N 3.47Å; G225-G228 VanDerWaalsContact O-N 3.15Å |
| 226 | Y | 86.4 | Confident | 89.4 | Confident | 153 Ų | 153 | 36.7 Ų | 36.7 | 60% | 0.6 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -63.5 | -21.5 | -174.6 | -59.6 | -73.3 | 0 | 0 | 0 | 114.7 | G228 | Y226-G228 VanDerWaalsContact C-N 3.32Š|
| 227 | E | 86.8 | Confident | 89.3 | Confident | 167 Ų | 167 | 36 Ų | 36 | 78% | 0.78 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -84.9 | -4.8 | -179.9 | -60.3 | -61.4 | 155.6 | 0 | 0 | 113.1 | G225 | G225-E227 PolarHBondContact O-N 2.86Š|
| 228 | G | 86.3 | Confident | 89.1 | Confident | 21 Ų | 21 | 36 Ų | 36 | 22% | 0.216 | 19% | 0.194 | C | C | . | . | trans | -81.1 | 148.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N222 G225 Y226 | N222-G228 WeakPolarHBondContact ND2-CA 3.31Å; N222-G228 PolarHBondContact ND2-O 2.94Å; N222-G228 WeakPolarHBondContact OD1-CA 3.32Å; G225-G228 PolarHBondContact O-N 3.47Å; G225-G228 VanDerWaalsContact O-N 3.15Å; Y226-G228 VanDerWaalsContact C-N 3.32Å | ||
| 229 | G | 85.3 | Confident | 88.9 | Confident | 42 Ų | 42 | 36.3 Ų | 36.3 | 43% | 0.433 | 20% | 0.196 | S | C | . | . | trans | -92.4 | 179.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N222 S231 S232 | N222-G229 PolarHBondContact ND2-O 3.38Å; G229-S231 PolarHBondContact O-N 2.99Å; G229-S231 VanDerWaalsContact O-N 3.16Å; G229-S232 PolarHBondContact N-OG 3.23Å; G229-S232 PolarHBondContact O-N 3.49Å; G229-S232 VanDerWaalsContact O-N 3.16Å; G229-S232 PolarHBondContact O-OG 2.97Å | ||
| 230 | H | 82.2 | Confident | 89 | Confident | 119 Ų | 119 | 36.2 Ų | 36.2 | 55% | 0.551 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -60.7 | -26 | 179.3 | -62.9 | -63.5 | 0 | 0 | 0 | 114.2 | S232 I233 D639 | H230-S232 VanDerWaalsContact C-N 3.26Å; H230-S232 PolarHBondContact O-N 2.9Å; H230-I233 HydrophobicContact CB-CD1 4.41Å; H230-I233 PolarHBondContact O-N 3.19Å; H230-D639 HydrophobicContact CB-CB 4.11Å; H230-D639 WeakPolarHBondContact CB-OD2 3.49Å; H230-D639 IonicContact CG-OD2 3.27Å |
| 231 | S | 82.7 | Confident | 89.2 | Confident | 61 Ų | 61 | 36.3 Ų | 36.3 | 43% | 0.427 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -74.1 | -11 | 179.3 | 64.6 | 0 | 0 | 0 | 0 | 114.6 | G229 | G229-S231 PolarHBondContact O-N 2.99Å; G229-S231 VanDerWaalsContact O-N 3.16Å |
| 232 | S | 90.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -107.8 | 7.8 | 178.3 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | N222 I223 Y224 G229 H230 | N222-S232 PolarHBondContact ND2-OG 3.45Å; N222-S232 WeakPolarHBondContact OD1-CB 3.41Å; N222-S232 PolarHBondContact OD1-OG 2.91Å; I223-S232 WeakPolarHBondContact CG2-O 3.2Å; I223-S232 PolarHBondContact N-O 3.49Å; I223-S232 VanDerWaalsContact N-O 3.15Å; Y224-S232 VanDerWaalsContact CD2-CB 3.4Å; Y224-S232 WeakPolarHBondContact CD2-OG 3.47Å; G229-S232 PolarHBondContact N-OG 3.23Å; G229-S232 PolarHBondContact O-N 3.49Å; G229-S232 VanDerWaalsContact O-N 3.16Å; G229-S232 PolarHBondContact O-OG 2.97Å; H230-S232 VanDerWaalsContact C-N 3.26Å; H230-S232 PolarHBondContact O-N 2.9Å |
| 233 | I | 91.6 | Very high | 88.5 | Confident | 30 Ų | 30 | 38 Ų | 38 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -72.5 | 131.1 | 173 | -64.4 | 176.4 | 0 | 0 | 0 | 108.8 | N222 H230 F235 | N222-I233 HydrophobicContact CB-CG1 4.48Å; H230-I233 HydrophobicContact CB-CD1 4.41Å; H230-I233 PolarHBondContact O-N 3.19Å; I233-F235 HydrophobicContact CB-CE2 4.49Å; I233-F235 HydrophobicContact CG2-CZ 4.42Å; I233-F235 VanDerWaalsContact O-CD2 3.29Å; I233-F235 WeakPolarHBondContact O-CD2 3.38Å; I233-F235 WeakPolarHBondContact O-CE2 3.39Å |
| 234 | L | 92.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -82.2 | 138.6 | 172.8 | -64.2 | 179 | 0 | 0 | 0 | 110.9 | V171 Q172 V218 G220 F221 I223 | V171-L234 HydrophobicContact CG1-CD1 3.74Å; V171-L234 HydrophobicContact CG1-CD2 4.26Å; Q172-L234 HydrophobicContact CB-CD2 4.07Å; V218-L234 HydrophobicContact CB-CB 4.13Å; V218-L234 HydrophobicContact CB-CD1 4.02Å; V218-L234 HydrophobicContact CG1-CD1 3.92Å; G220-L234 PolarHBondContact N-O 3.41Å; F221-L234 PolarHBondContact O-N 3.35Å; I223-L234 HydrophobicContact CB-CD1 4.23Å; I223-L234 HydrophobicContact CB-CG 4.2Å; I223-L234 HydrophobicContact CD1-CD1 3.82Å; I223-L234 HydrophobicContact CG1-CD1 4.21Å | ||
| 235 | F | 91.2 | Very high | 87.9 | Confident | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | trans | -111.6 | 148 | -179.4 | -65.2 | -87.7 | 0 | 0 | 0 | 110.7 | Q172 V175 I233 M511 E636 H637 L638 F640 | Q172-F235 PolarHBondContact NE2-O 3.33Å; V175-F235 WeakPolarHBondContact CG1-O 3.23Å; I233-F235 HydrophobicContact CB-CE2 4.49Å; I233-F235 HydrophobicContact CG2-CZ 4.42Å; I233-F235 VanDerWaalsContact O-CD2 3.29Å; I233-F235 WeakPolarHBondContact O-CD2 3.38Å; I233-F235 WeakPolarHBondContact O-CE2 3.39Å; F235-M511 HydrophobicContact CB-CE 3.48Å; F235-M511 VanDerWaalsContact CB-CE 3.48Å; F235-M511 HydrophobicContact CB-CG 4.46Å; F235-M511 HydrophobicContact CB-SD 3.47Å; F235-M511 WeakPolarHBondContact CB-SD 3.43Å; F235-M511 HydrophobicContact CD1-CE 4.16Å; F235-M511 HydrophobicContact CD2-CE 3.98Å; F235-M511 HydrophobicContact CD2-CG 4.28Å; F235-M511 HydrophobicContact CD2-SD 4.29Å; F235-M511 HydrophobicContact CG-CE 3.61Å; F235-M511 HydrophobicContact CG-SD 4.09Å; F235-E636 HydrophobicContact CE1-CG 4.3Å; F235-H637 WeakPolarHBondContact CE1-O 3.49Å; F235-H637 WeakPolarHBondContact CZ-O 3.26Å; F235-L638 HydrophobicContact CD1-CD2 4.1Å; F235-L638 HydrophobicContact CE1-CD2 3.79Å; F235-L638 HydrophobicContact CZ-CD2 4.4Å; F235-F640 HydrophobicContact CD2-CD1 4.22Å; F235-F640 HydrophobicContact CD2-CE1 4.24Å; F235-F640 AromaticContact CE2-CD1 3.7Å; F235-F640 HydrophobicContact CE2-CD1 3.7Å; F235-F640 AromaticContact CE2-CE1 3.98Å; F235-F640 HydrophobicContact CE2-CE1 3.98Å; F235-F640 HydrophobicContact CZ-CD1 4.13Å; F235-F640 HydrophobicContact CZ-CE1 4.19Å | ||
| 236 | M | 90.1 | Very high | 87.4 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | trans | -136.8 | 133.1 | -179.8 | 174 | -111.1 | -56.9 | 0 | 0 | 109.2 | V175 L215 V218 A219 A238 H241 F456 | V175-M236 HydrophobicContact CG1-CB 4.44Å; L215-M236 HydrophobicContact CB-CG 3.89Å; L215-M236 HydrophobicContact CB-SD 4.29Å; L215-M236 HydrophobicContact CD2-CG 3.94Å; L215-M236 HydrophobicContact CG-CG 4.37Å; L215-M236 WeakPolarHBondContact O-CE 3.39Å; V218-M236 HydrophobicContact CG2-CB 4.36Å; A219-M236 HydrophobicContact CB-CE 3.21Å; M236-A238 PolarHBondContact O-N 2.99Å; M236-A238 VanDerWaalsContact O-N 3.14Å; M236-H241 HydrophobicContact SD-CB 3.41Å; M236-H241 WeakPolarHBondContact SD-CB 3.49Å; M236-F456 HydrophobicContact CE-CE2 3.66Å; M236-F456 HydrophobicContact CE-CZ 3.52Å | ||
| 237 | D | 89.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | trans | -68.7 | 108.4 | 171.6 | -175.4 | -17 | 0 | 0 | 0 | 110.2 | E179 D239 A240 H241 R522 | E179-D237 HydrophobicContact CG-CB 4.46Å; E179-D237 VanDerWaalsContact OE1-CB 3.22Å; E179-D237 WeakPolarHBondContact OE1-CB 3.39Å; E179-D237 PolarHBondContact OE1-N 3.16Å; E179-D237 VanDerWaalsContact OE1-N 3.12Å; D237-D239 PolarHBondContact O-N 2.84Å; D237-D239 WeakPolarHBondContact OD1-CB 3.47Å; D237-D239 PolarHBondContact OD1-N 2.71Å; D237-A240 HydrophobicContact CB-CB 3.79Å; D237-A240 WeakPolarHBondContact O-CA 3.5Å; D237-A240 WeakPolarHBondContact O-CB 3.47Å; D237-A240 PolarHBondContact O-N 3.02Å; D237-A240 PolarHBondContact OD1-N 3.5Å; D237-H241 PolarHBondContact O-N 3.18Å; D237-R522 IonicContact OD2-NH2 2.87Å; D237-R522 PolarHBondContact OD2-NH2 3.29Å | ||
| 238 | A | 87.6 | Confident | 87.4 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 7% | 0.066 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.5 | -32.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M236 H241 S242 L530 L581 | M236-A238 PolarHBondContact O-N 2.99Å; M236-A238 VanDerWaalsContact O-N 3.14Å; A238-H241 PolarHBondContact O-N 3.11Å; A238-S242 WeakPolarHBondContact O-CB 3.48Å; A238-S242 PolarHBondContact O-N 3.47Å; A238-L530 HydrophobicContact CB-CB 3.84Å; A238-L530 HydrophobicContact CB-CD1 4.15Å; A238-L530 WeakPolarHBondContact O-CD1 3.46Å; A238-L581 HydrophobicContact CB-CD1 4.35Å |
| 239 | D | 87.3 | Confident | 87.3 | Confident | 8 Ų | 8 | 24.6 Ų | 24.6 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.3 | -35.4 | 176.4 | -61.4 | -72.9 | 0 | 0 | 0 | 111.3 | D237 R243 G528 Q529 L530 G531 | D237-D239 PolarHBondContact O-N 2.84Å; D237-D239 WeakPolarHBondContact OD1-CB 3.47Å; D237-D239 PolarHBondContact OD1-N 2.71Å; D239-R243 WeakPolarHBondContact O-CB 3.13Å; D239-R243 WeakPolarHBondContact O-CG 3.36Å; D239-R243 PolarHBondContact O-N 2.9Å; D239-R243 PolarHBondContact O-NE 3.46Å; D239-R243 VanDerWaalsContact O-NE 3.16Å; D239-G528 VanDerWaalsContact CG-C 3.43Å; D239-G528 VanDerWaalsContact OD1-C 3.23Å; D239-G528 WeakPolarHBondContact OD1-CA 3.42Å; D239-G528 WeakPolarHBondContact OD2-CA 3.4Å; D239-G528 PolarHBondContact OD2-N 2.77Å; D239-Q529 PolarHBondContact OD1-N 2.89Å; D239-Q529 VanDerWaalsContact OD1-N 3.07Å; D239-L530 WeakPolarHBondContact OD1-CB 3.36Å; D239-L530 PolarHBondContact OD1-N 2.94Å; D239-G531 PolarHBondContact OD2-N 3.01Å |
| 240 | A | 88.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E179 D237 R243 N244 | E179-A240 HydrophobicContact CB-CB 3.75Å; E179-A240 HydrophobicContact CG-CB 3.78Å; D237-A240 HydrophobicContact CB-CB 3.79Å; D237-A240 WeakPolarHBondContact O-CA 3.5Å; D237-A240 WeakPolarHBondContact O-CB 3.47Å; D237-A240 PolarHBondContact O-N 3.02Å; D237-A240 PolarHBondContact OD1-N 3.5Å; A240-R243 PolarHBondContact O-N 2.88Å; A240-N244 PolarHBondContact O-N 3.34Å; A240-N244 PolarHBondContact O-ND2 3.43Å |
| 241 | H | 89.7 | Confident | 87.2 | Confident | 13 Ų | 13 | 20 Ų | 20 | 6% | 0.06 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 173.2 | 165.2 | -82.4 | 0 | 0 | 0 | 112.3 | L215 E216 M236 D237 A238 R243 N244 R245 | L215-H241 HydrophobicContact CD1-CB 4.41Å; E216-H241 VanDerWaalsContact CG-CD2 3.48Å; E216-H241 WeakPolarHBondContact CG-CD2 3.46Å; E216-H241 WeakPolarHBondContact CG-NE2 3.49Å; E216-H241 IonicContact OE1-CE1 2.68Å; E216-H241 IonicContact OE1-NE2 3.35Å; E216-H241 PolarHBondContact OE1-NE2 3.06Å; M236-H241 HydrophobicContact SD-CB 3.41Å; M236-H241 WeakPolarHBondContact SD-CB 3.49Å; D237-H241 PolarHBondContact O-N 3.18Å; A238-H241 PolarHBondContact O-N 3.11Å; H241-R243 VanDerWaalsContact C-N 3.32Å; H241-R243 PolarHBondContact O-N 2.97Å; H241-N244 PolarHBondContact O-N 3.35Å; H241-R245 PolarHBondContact O-N 3.07Å |
| 242 | S | 84.1 | Confident | 87.5 | Confident | 4 Ų | 4 | 17.8 Ų | 17.8 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 178.8 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | A238 R245 I246 | A238-S242 WeakPolarHBondContact O-CB 3.48Å; A238-S242 PolarHBondContact O-N 3.47Å; S242-R245 WeakPolarHBondContact O-CB 3.41Å; S242-R245 PolarHBondContact O-N 3.4Å; S242-I246 VanDerWaalsContact O-CG1 3.31Å; S242-I246 WeakPolarHBondContact O-CG1 3.3Å; S242-I246 PolarHBondContact O-N 3.13Å |
| 243 | R | 85.6 | Confident | 87.5 | Confident | 47 Ų | 47 | 19.3 Ų | 19.3 | 18% | 0.177 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 174.5 | -76.1 | 177.8 | -70.5 | -147.6 | -2.3 | 112.5 | Y182 D239 A240 H241 R245 I246 I247 | Y182-R243 HydrophobicContact CD1-CB 3.84Å; Y182-R243 HydrophobicContact CD2-CB 4.32Å; Y182-R243 HydrophobicContact CE1-CB 3.86Å; Y182-R243 HydrophobicContact CE2-CB 4.35Å; Y182-R243 HydrophobicContact CG-CB 4.08Å; D239-R243 WeakPolarHBondContact O-CB 3.13Å; D239-R243 WeakPolarHBondContact O-CG 3.36Å; D239-R243 PolarHBondContact O-N 2.9Å; D239-R243 PolarHBondContact O-NE 3.46Å; D239-R243 VanDerWaalsContact O-NE 3.16Å; A240-R243 PolarHBondContact O-N 2.88Å; H241-R243 VanDerWaalsContact C-N 3.32Å; H241-R243 PolarHBondContact O-N 2.97Å; R243-R245 VanDerWaalsContact C-N 3.26Å; R243-R245 PolarHBondContact O-N 3.35Å; R243-I246 PolarHBondContact O-N 3.46Å; R243-I247 WeakPolarHBondContact O-CB 3.26Å; R243-I247 WeakPolarHBondContact O-CG1 3.41Å; R243-I247 PolarHBondContact O-N 3.09Å |
| 244 | N | 89.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.9 | -42.1 | 174.3 | -74.6 | -75.6 | 0 | 0 | 0 | 111.7 | E179 A181 Y182 I208 K212 A240 H241 M248 | E179-N244 PolarHBondContact O-ND2 2.88Å; A181-N244 WeakPolarHBondContact CB-OD1 3.42Å; Y182-N244 WeakPolarHBondContact CB-OD1 3.4Å; Y182-N244 PolarHBondContact N-OD1 3.44Å; I208-N244 HydrophobicContact CG2-CB 4.09Å; I208-N244 WeakPolarHBondContact CG2-O 3.5Å; K212-N244 HydrophobicContact CB-CB 4.05Å; K212-N244 HydrophobicContact CG-CB 4.45Å; A240-N244 PolarHBondContact O-N 3.34Å; A240-N244 PolarHBondContact O-ND2 3.43Å; H241-N244 PolarHBondContact O-N 3.35Å; N244-M248 WeakPolarHBondContact O-CB 3.46Å; N244-M248 PolarHBondContact O-N 3.43Å |
| 245 | R | 86.9 | Confident | 87.3 | Confident | 56 Ų | 56 | 20.3 Ų | 20.3 | 21% | 0.211 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 178.1 | -174.5 | 178.1 | 173.6 | -134.3 | -8.7 | 112.9 | K212 H241 S242 R243 M248 T249 W578 | K212-R245 HydrophobicContact CG-CB 4.48Å; H241-R245 PolarHBondContact O-N 3.07Å; S242-R245 WeakPolarHBondContact O-CB 3.41Å; S242-R245 PolarHBondContact O-N 3.4Å; R243-R245 VanDerWaalsContact C-N 3.26Å; R243-R245 PolarHBondContact O-N 3.35Å; R245-M248 HydrophobicContact CG-CE 4.22Å; R245-T249 WeakPolarHBondContact O-CB 3.43Å; R245-T249 PolarHBondContact O-N 2.72Å; R245-T249 PolarHBondContact O-OG1 2.98Å; R245-W578 HydrophobicContact CG-CZ3 4.02Å; R245-W578 VanDerWaalsContact NH1-CZ3 3.27Å |
| 246 | I | 81.2 | Confident | 87.2 | Confident | 35 Ų | 35 | 19.4 Ų | 19.4 | 18% | 0.179 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.3 | -49.6 | 178.5 | -69.7 | 163.3 | 0 | 0 | 0 | 109.6 | S242 R243 M248 T249 N250 F574 W578 | S242-I246 VanDerWaalsContact O-CG1 3.31Å; S242-I246 WeakPolarHBondContact O-CG1 3.3Å; S242-I246 PolarHBondContact O-N 3.13Å; R243-I246 PolarHBondContact O-N 3.46Å; I246-M248 PolarHBondContact O-N 3.39Å; I246-T249 PolarHBondContact O-N 3.41Å; I246-N250 PolarHBondContact O-N 3.29Å; I246-N250 VanDerWaalsContact O-N 3.09Å; I246-F574 HydrophobicContact CD1-CE2 4.14Å; I246-W578 HydrophobicContact CD1-CD2 4.43Å; I246-W578 HydrophobicContact CD1-CH2 4.43Å; I246-W578 HydrophobicContact CD1-CZ2 4.14Å; I246-W578 HydrophobicContact CG1-CD2 4.43Å; I246-W578 HydrophobicContact CG1-CE3 4.3Å; I246-W578 HydrophobicContact CG1-CH2 3.51Å; I246-W578 HydrophobicContact CG1-CZ2 3.61Å; I246-W578 HydrophobicContact CG1-CZ3 3.85Å |
| 247 | I | 83.7 | Confident | 86.8 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.015 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | -179 | -70.6 | -23.9 | 0 | 0 | 0 | 110.9 | Y182 I208 R243 T249 N250 L251 V798 | Y182-I247 HydrophobicContact CD2-CG1 3.97Å; Y182-I247 HydrophobicContact CG-CG1 4.25Å; I208-I247 HydrophobicContact CD1-CG2 3.79Å; R243-I247 WeakPolarHBondContact O-CB 3.26Å; R243-I247 WeakPolarHBondContact O-CG1 3.41Å; R243-I247 PolarHBondContact O-N 3.09Å; I247-T249 VanDerWaalsContact C-N 3.34Å; I247-T249 PolarHBondContact O-N 3.01Å; I247-N250 PolarHBondContact O-N 3.5Å; I247-L251 HydrophobicContact CG2-CD1 4.05Å; I247-L251 PolarHBondContact O-N 3.01Å; I247-V798 HydrophobicContact CB-CG1 4.05Å; I247-V798 HydrophobicContact CB-CG2 4.25Å; I247-V798 HydrophobicContact CD1-CB 3.75Å; I247-V798 HydrophobicContact CD1-CG1 3.8Å; I247-V798 HydrophobicContact CD1-CG2 3.76Å; I247-V798 HydrophobicContact CG1-CB 4.48Å; I247-V798 HydrophobicContact CG1-CG1 4.35Å; I247-V798 HydrophobicContact CG1-CG2 4.05Å; I247-V798 HydrophobicContact CG2-CB 4.38Å; I247-V798 HydrophobicContact CG2-CG1 3.92Å; I247-V798 HydrophobicContact CG2-CG2 3.65Å; I247-V798 WeakPolarHBondContact O-CG1 3.46Å |
| 248 | M | 88.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 175.8 | 174.4 | -155.9 | 71.6 | 0 | 0 | 112.3 | I208 C209 N244 R245 I246 N250 L251 L252 G275 T276 | I208-M248 HydrophobicContact CG2-CB 3.93Å; C209-M248 HydrophobicContact CB-SD 4.36Å; C209-M248 WeakPolarHBondContact SG-CG 3.33Å; C209-M248 PolarHBondContact SG-SD 2.97Å; N244-M248 WeakPolarHBondContact O-CB 3.46Å; N244-M248 PolarHBondContact O-N 3.43Å; R245-M248 HydrophobicContact CG-CE 4.22Å; I246-M248 PolarHBondContact O-N 3.39Å; M248-N250 PolarHBondContact O-N 2.87Å; M248-L251 PolarHBondContact O-N 3.47Å; M248-L252 HydrophobicContact CG-CD1 4.04Å; M248-L252 WeakPolarHBondContact O-CG 3.09Å; M248-L252 PolarHBondContact O-N 2.93Å; M248-G275 VanDerWaalsContact SD-O 3.41Å; M248-T276 HydrophobicContact CE-CG2 4.38Å |
| 249 | T | 83.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 19.2 Ų | 19.2 | 25% | 0.252 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -60.2 | -36.7 | -179.9 | -61.8 | 0 | 0 | 0 | 0 | 112 | R245 I246 I247 T281 | R245-T249 WeakPolarHBondContact O-CB 3.43Å; R245-T249 PolarHBondContact O-N 2.72Å; R245-T249 PolarHBondContact O-OG1 2.98Å; I246-T249 PolarHBondContact O-N 3.41Å; I247-T249 VanDerWaalsContact C-N 3.34Å; I247-T249 PolarHBondContact O-N 3.01Å; T249-T281 HydrophobicContact CG2-CG2 3.79Å |
| 250 | N | 81.4 | Confident | 86.4 | Confident | 56 Ų | 56 | 19.7 Ų | 19.7 | 30% | 0.299 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -80.9 | -27.7 | 179.7 | -78.7 | -20 | 0 | 0 | 0 | 113.3 | I246 I247 M248 V798 | I246-N250 PolarHBondContact O-N 3.29Å; I246-N250 VanDerWaalsContact O-N 3.09Å; I247-N250 PolarHBondContact O-N 3.5Å; M248-N250 PolarHBondContact O-N 2.87Å; N250-V798 HydrophobicContact CB-CG1 3.27Å |
| 251 | L | 84.7 | Confident | 86.6 | Confident | 9 Ų | 9 | 19.8 Ų | 19.8 | 5% | 0.047 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.7 | -46.5 | 172.6 | -77.6 | 171.8 | 0 | 0 | 0 | 111.6 | A205 I208 I247 M248 R254 V798 | A205-L251 HydrophobicContact CB-CB 4.03Å; A205-L251 HydrophobicContact CB-CD1 4.35Å; I208-L251 HydrophobicContact CD1-CD1 3.52Å; I247-L251 HydrophobicContact CG2-CD1 4.05Å; I247-L251 PolarHBondContact O-N 3.01Å; M248-L251 PolarHBondContact O-N 3.47Å; L251-R254 CarbonylContact C-O 3.45Å; L251-R254 WeakPolarHBondContact O-CA 3.37Å; L251-R254 VanDerWaalsContact O-CB 3.28Å; L251-R254 WeakPolarHBondContact O-CB 3.37Å; L251-R254 PolarHBondContact O-N 3.33Å; L251-R254 VanDerWaalsContact O-O 3.07Å; L251-V798 HydrophobicContact CG-CG1 4.25Å |
| 252 | L | 89.7 | Confident | 86.8 | Confident | 14 Ų | 14 | 19.2 Ų | 19.2 | 7% | 0.073 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 144.9 | -179.9 | -68.3 | 172.8 | 0 | 0 | 0 | 111.1 | A205 M248 L265 L269 T276 A285 | A205-L252 HydrophobicContact CB-CD2 4.02Å; A205-L252 HydrophobicContact CB-CG 4.48Å; M248-L252 HydrophobicContact CG-CD1 4.04Å; M248-L252 WeakPolarHBondContact O-CG 3.09Å; M248-L252 PolarHBondContact O-N 2.93Å; L252-L265 HydrophobicContact CD2-CD2 3.67Å; L252-L269 HydrophobicContact CD1-CD2 3.84Å; L252-L269 HydrophobicContact CD2-CD1 4.36Å; L252-L269 HydrophobicContact CD2-CD2 4.49Å; L252-T276 HydrophobicContact CD1-CG2 4.12Å; L252-A285 HydrophobicContact CD2-CB 4.08Å |
| 253 | P | 89.5 | Confident | 87.5 | Confident | 35 Ų | 35 | 19 Ų | 19 | 23% | 0.227 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -83.5 | 10.4 | 4.5 | 31 | -37 | 0 | 0 | 0 | 116 | A285 | P253-A285 HydrophobicContact CB-CB 3.81Š|
| 254 | R | 89.1 | Confident | 88 | Confident | 51 Ų | 51 | 16.8 Ų | 16.8 | 19% | 0.192 | 9% | 0.093 | C | C | . | . | trans | -83.2 | 147.7 | 175.4 | -175.7 | -173.9 | 69.3 | 179.4 | 3.4 | 110.7 | L251 S256 K259 G260 | L251-R254 CarbonylContact C-O 3.45Å; L251-R254 WeakPolarHBondContact O-CA 3.37Å; L251-R254 VanDerWaalsContact O-CB 3.28Å; L251-R254 WeakPolarHBondContact O-CB 3.37Å; L251-R254 PolarHBondContact O-N 3.33Å; L251-R254 VanDerWaalsContact O-O 3.07Å; R254-S256 WeakPolarHBondContact CD-O 3.48Å; R254-S256 WeakPolarHBondContact CG-O 3.46Å; R254-S256 PolarHBondContact NE-O 3.4Å; R254-K259 WeakPolarHBondContact CG-O 3.49Å; R254-G260 WeakPolarHBondContact CA-O 3.41Å | ||
| 255 | E | 91.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | trans | -82.6 | -55.9 | 175.2 | 171.9 | 64.3 | 178.4 | 0 | 0 | 112.4 | H204 A205 S206 K259 D262 S264 L265 | H204-E255 WeakPolarHBondContact CB-OE1 3.48Å; H204-E255 IonicContact CD2-OE1 3.04Å; H204-E255 PolarHBondContact CD2-OE1 3.21Å; H204-E255 IonicContact CG-OE1 3.03Å; A205-E255 PolarHBondContact N-O 2.74Å; A205-E255 PolarHBondContact N-OE2 2.88Å; S206-E255 VanDerWaalsContact CB-OE1 3.31Å; S206-E255 WeakPolarHBondContact CB-OE1 3.4Å; S206-E255 PolarHBondContact N-OE2 3.31Å; S206-E255 PolarHBondContact OG-OE1 3.02Å; E255-K259 HydrophobicContact CB-CB 4.18Å; E255-K259 HydrophobicContact CG-CB 4.29Å; E255-K259 HydrophobicContact CG-CD 4.44Å; E255-K259 PolarHBondContact N-O 3.11Å; E255-D262 HydrophobicContact CB-CB 3.74Å; E255-D262 HydrophobicContact CG-CB 3.56Å; E255-S264 PolarHBondContact OE1-OG 3.14Å; E255-L265 HydrophobicContact CB-CD1 4.32Å; E255-L265 WeakPolarHBondContact OE2-CD2 3.31Å; E255-L265 WeakPolarHBondContact OE2-CG 3.28Å | ||
| 256 | S | 88.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -152.9 | -176.8 | -175.9 | 74 | 0 | 0 | 0 | 0 | 112 | E202 L203 R254 K259 | E202-S256 WeakPolarHBondContact OE2-CB 3.3Å; E202-S256 PolarHBondContact OE2-OG 3.32Å; L203-S256 WeakPolarHBondContact O-CA 3.49Å; L203-S256 WeakPolarHBondContact O-CB 3.31Å; R254-S256 WeakPolarHBondContact CD-O 3.48Å; R254-S256 WeakPolarHBondContact CG-O 3.46Å; R254-S256 PolarHBondContact NE-O 3.4Å; S256-K259 PolarHBondContact N-O 3.28Å; S256-K259 PolarHBondContact O-N 3.38Å; S256-K259 WeakPolarHBondContact OG-CB 3.4Å; S256-K259 PolarHBondContact OG-N 3.49Å |
| 257 | A | 82 | Confident | 89.7 | Confident | 26 Ų | 26 | 12.5 Ų | 12.5 | 22% | 0.215 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -61.5 | -45 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1104 | A257-L1104 HydrophobicContact CB-CB 4.26Å; A257-L1104 HydrophobicContact CB-CD1 4.24Å; A257-L1104 PolarHBondContact O-N 3.11Å |
| 258 | S | 83.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -87.2 | -19.8 | 175.5 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | K195 E202 | K195-S258 WeakPolarHBondContact CD-O 3.24Å; K195-S258 WeakPolarHBondContact CE-O 3.44Å; K195-S258 PolarHBondContact N-OG 2.87Å; K195-S258 VanDerWaalsContact N-OG 3.1Å; K195-S258 PolarHBondContact NZ-O 3Å; E202-S258 WeakPolarHBondContact OE1-CB 3.24Å; E202-S258 PolarHBondContact OE1-N 2.9Å; E202-S258 PolarHBondContact OE1-OG 3.47Å; E202-S258 PolarHBondContact OE2-N 2.91Å; E202-S258 PolarHBondContact OE2-OG 3.27Å |
| 259 | K | 86.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.009 | 7% | 0.074 | C | C | . | . | trans | -110.7 | 103.9 | -175.1 | -56.3 | 169.8 | -162.3 | 149.3 | 0 | 112.2 | G193 K195 H204 R254 E255 S256 T261 F302 | G193-K259 VanDerWaalsContact O-CE 3.23Å; G193-K259 WeakPolarHBondContact O-CE 3.21Å; G193-K259 PolarHBondContact O-NZ 2.97Å; K195-K259 HydrophobicContact CG-CG 3.83Å; H204-K259 PolarHBondContact NE2-NZ 2.87Å; R254-K259 WeakPolarHBondContact CG-O 3.49Å; E255-K259 HydrophobicContact CB-CB 4.18Å; E255-K259 HydrophobicContact CG-CB 4.29Å; E255-K259 HydrophobicContact CG-CD 4.44Å; E255-K259 PolarHBondContact N-O 3.11Å; S256-K259 PolarHBondContact N-O 3.28Å; S256-K259 PolarHBondContact O-N 3.38Å; S256-K259 WeakPolarHBondContact OG-CB 3.4Å; S256-K259 PolarHBondContact OG-N 3.49Å; K259-T261 VanDerWaalsContact C-N 3.27Å; K259-T261 PolarHBondContact O-N 3.42Å; K259-F302 HydrophobicContact CD-CD1 4.31Å; K259-F302 HydrophobicContact CD-CG 4.42Å | ||
| 260 | G | 85.1 | Confident | 91.2 | Very high | 19 Ų | 19 | 10.5 Ų | 10.5 | 20% | 0.196 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -59.3 | -30.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R254 | R254-G260 WeakPolarHBondContact CA-O 3.41Š|
| 261 | T | 92.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.006 | 5% | 0.049 | C | C | . | . | trans | -161.9 | 153.4 | 174.3 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | K259 R288 C289 R292 L293 | K259-T261 VanDerWaalsContact C-N 3.27Å; K259-T261 PolarHBondContact O-N 3.42Å; T261-R288 HydrophobicContact CG2-CG 4.44Å; T261-C289 PolarHBondContact OG1-SG 2.9Å; T261-R292 HydrophobicContact CG2-CB 4.01Å; T261-L293 HydrophobicContact CG2-CD1 4.23Å; T261-L293 HydrophobicContact CG2-CD2 4.15Å; T261-L293 HydrophobicContact CG2-CG 4.13Å | ||
| 262 | D | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | B | Isolated β-bridge | trans | -151 | 143.3 | -177.4 | -166.1 | -50.2 | 0 | 0 | 0 | 110 | W190 E255 S264 L265 C289 R301 F302 | W190-D262 PolarHBondContact NE1-OD1 3.46Å; W190-D262 PolarHBondContact NE1-OD2 3.04Å; E255-D262 HydrophobicContact CB-CB 3.74Å; E255-D262 HydrophobicContact CG-CB 3.56Å; D262-S264 VanDerWaalsContact CG-OG 3.31Å; D262-S264 PolarHBondContact O-N 3.29Å; D262-S264 WeakPolarHBondContact OD1-CB 3.49Å; D262-S264 PolarHBondContact OD1-N 3.49Å; D262-S264 PolarHBondContact OD1-OG 3.27Å; D262-S264 VanDerWaalsContact OD1-OG 3.13Å; D262-L265 VanDerWaalsContact O-CB 3.28Å; D262-L265 WeakPolarHBondContact O-CB 3.48Å; D262-L265 WeakPolarHBondContact O-CG 3.49Å; D262-L265 PolarHBondContact O-N 3Å; D262-L265 VanDerWaalsContact O-N 3.16Å; D262-C289 PolarHBondContact O-SG 2.88Å; D262-R301 CarbonylContact C-O 3.54Å; D262-R301 WeakPolarHBondContact CA-O 3.33Å; D262-F302 HydrophobicContact CB-CB 4.46Å; D262-F302 VanDerWaalsContact OD2-CD1 3.28Å; D262-F302 WeakPolarHBondContact OD2-CD1 3.29Å |
| 263 | A | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L265 I266 P267 L293 R301 F335 | A263-L265 PolarHBondContact O-N 3.38Å; A263-L265 VanDerWaalsContact O-N 3.16Å; A263-I266 HydrophobicContact CB-CD1 4.48Å; A263-I266 WeakPolarHBondContact O-CB 3.49Å; A263-I266 PolarHBondContact O-N 3.13Å; A263-P267 WeakPolarHBondContact O-CD 3.43Å; A263-L293 HydrophobicContact CB-CD1 4.18Å; A263-L293 VanDerWaalsContact N-CD1 3.33Å; A263-R301 PolarHBondContact N-O 3.27Å; A263-F335 HydrophobicContact CB-CD1 4.19Å; A263-F335 HydrophobicContact CB-CD2 4.08Å; A263-F335 HydrophobicContact CB-CE1 3.77Å; A263-F335 HydrophobicContact CB-CE2 3.64Å; A263-F335 HydrophobicContact CB-CG 4.33Å; A263-F335 HydrophobicContact CB-CZ 3.46Å; A263-F335 VanDerWaalsContact CB-CZ 3.46Å; A263-F335 VanDerWaalsContact O-CE1 3.25Å; A263-F335 WeakPolarHBondContact O-CE1 3.44Å |
| 264 | S | 97.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 5.3 Ų | 5.3 | 1% | 0.007 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.2 | 170 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | S206 E255 D262 I266 P267 A268 | S206-S264 WeakPolarHBondContact CB-O 3.46Å; S206-S264 WeakPolarHBondContact CB-OG 3.49Å; S206-S264 PolarHBondContact OG-OG 3.12Å; E255-S264 PolarHBondContact OE1-OG 3.14Å; D262-S264 VanDerWaalsContact CG-OG 3.31Å; D262-S264 PolarHBondContact O-N 3.29Å; D262-S264 WeakPolarHBondContact OD1-CB 3.49Å; D262-S264 PolarHBondContact OD1-N 3.49Å; D262-S264 PolarHBondContact OD1-OG 3.27Å; D262-S264 VanDerWaalsContact OD1-OG 3.13Å; S264-I266 PolarHBondContact O-N 2.89Å; S264-P267 WeakPolarHBondContact O-CD 3.42Å; S264-P267 WeakPolarHBondContact O-CG 3.34Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å |
| 265 | L | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -64.3 | -27.1 | 173.5 | -70.2 | 173.7 | 0 | 0 | 0 | 112.5 | A205 L252 E255 D262 A263 A268 L269 | A205-L265 HydrophobicContact CB-CD2 3.96Å; L252-L265 HydrophobicContact CD2-CD2 3.67Å; E255-L265 HydrophobicContact CB-CD1 4.32Å; E255-L265 WeakPolarHBondContact OE2-CD2 3.31Å; E255-L265 WeakPolarHBondContact OE2-CG 3.28Å; D262-L265 VanDerWaalsContact O-CB 3.28Å; D262-L265 WeakPolarHBondContact O-CB 3.48Å; D262-L265 WeakPolarHBondContact O-CG 3.49Å; D262-L265 PolarHBondContact O-N 3Å; D262-L265 VanDerWaalsContact O-N 3.16Å; A263-L265 PolarHBondContact O-N 3.38Å; A263-L265 VanDerWaalsContact O-N 3.16Å; L265-A268 PolarHBondContact O-N 3.03Å; L265-L269 HydrophobicContact CB-CD1 4.11Å; L265-L269 WeakPolarHBondContact O-CB 3.49Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 3.42Å |
| 266 | I | 97.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 3 Ų | 3 | 1% | 0.005 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -62.9 | -60.1 | -178.5 | -62.6 | 171.1 | 0 | 0 | 0 | 111.2 | A263 S264 A268 L269 C270 L286 C289 F299 F335 Y338 M339 | A263-I266 HydrophobicContact CB-CD1 4.48Å; A263-I266 WeakPolarHBondContact O-CB 3.49Å; A263-I266 PolarHBondContact O-N 3.13Å; S264-I266 PolarHBondContact O-N 2.89Å; I266-A268 PolarHBondContact O-N 3.31Å; I266-L269 PolarHBondContact O-N 3.19Å; I266-C270 WeakPolarHBondContact O-CA 3.03Å; I266-C270 WeakPolarHBondContact O-CB 3.47Å; I266-C270 PolarHBondContact O-N 3.44Å; I266-L286 HydrophobicContact CG1-CD2 4.48Å; I266-C289 HydrophobicContact CG1-CB 4.46Å; I266-F299 HydrophobicContact CD1-CD1 3.98Å; I266-F299 HydrophobicContact CD1-CE1 3.99Å; I266-F335 HydrophobicContact CB-CD1 4.17Å; I266-F335 HydrophobicContact CB-CE1 4.44Å; I266-F335 HydrophobicContact CD1-CB 4.21Å; I266-F335 HydrophobicContact CD1-CD1 3.72Å; I266-F335 HydrophobicContact CD1-CE1 4.45Å; I266-F335 HydrophobicContact CD1-CG 4.19Å; I266-F335 HydrophobicContact CG1-CD1 4.49Å; I266-F335 HydrophobicContact CG2-CD1 4.4Å; I266-Y338 HydrophobicContact CG2-CG 4.3Å; I266-M339 HydrophobicContact CG2-SD 4.38Å |
| 267 | P | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.7 | -20.1 | 177 | 25.5 | -35.2 | 0 | 0 | 0 | 113.5 | M189 M210 A263 S264 P272 A273 Y338 | M189-P267 HydrophobicContact CE-CG 3.88Å; M189-P267 HydrophobicContact SD-CG 4.08Å; M210-P267 HydrophobicContact CE-CB 4.16Å; A263-P267 WeakPolarHBondContact O-CD 3.43Å; S264-P267 WeakPolarHBondContact O-CD 3.42Å; S264-P267 WeakPolarHBondContact O-CG 3.34Å; P267-P272 WeakPolarHBondContact O-CD 3.49Å; P267-A273 WeakPolarHBondContact O-CB 3.43Å; P267-A273 PolarHBondContact O-N 3.03Å; P267-Y338 HydrophobicContact CB-CD1 4.31Å; P267-Y338 HydrophobicContact CB-CE1 3.72Å |
| 268 | A | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -80.5 | -32.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C209 S264 L265 I266 A273 G275 | C209-A268 HydrophobicContact CB-CB 3.69Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å; L265-A268 PolarHBondContact O-N 3.03Å; I266-A268 PolarHBondContact O-N 3.31Å; A268-A273 WeakPolarHBondContact O-CB 3.34Å; A268-G275 WeakPolarHBondContact O-CA 3.47Å; A268-G275 PolarHBondContact O-N 3.5Å |
| 269 | L | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -101.6 | -21.4 | -178.8 | -64.8 | 175.3 | 0 | 0 | 0 | 113.5 | L252 L265 I266 T276 R282 A285 L286 | L252-L269 HydrophobicContact CD1-CD2 3.84Å; L252-L269 HydrophobicContact CD2-CD1 4.36Å; L252-L269 HydrophobicContact CD2-CD2 4.49Å; L265-L269 HydrophobicContact CB-CD1 4.11Å; L265-L269 WeakPolarHBondContact O-CB 3.49Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 3.42Å; I266-L269 PolarHBondContact O-N 3.19Å; L269-T276 HydrophobicContact CD2-CG2 3.57Å; L269-R282 HydrophobicContact CB-CG 4.18Å; L269-R282 HydrophobicContact CD2-CG 4.43Å; L269-R282 PolarHBondContact O-NH1 3.39Å; L269-A285 HydrophobicContact CD1-CB 3.61Å; L269-L286 HydrophobicContact CB-CD2 4.03Å; L269-L286 HydrophobicContact CB-CG 4.33Å; L269-L286 HydrophobicContact CD1-CD2 4.13Å; L269-L286 HydrophobicContact CD1-CG 4.18Å |
| 270 | C | 95.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -109.3 | -166.2 | 173.6 | -56.3 | 0 | 0 | 0 | 0 | 109.5 | I266 A273 Y274 E342 | I266-C270 WeakPolarHBondContact O-CA 3.03Å; I266-C270 WeakPolarHBondContact O-CB 3.47Å; I266-C270 PolarHBondContact O-N 3.44Å; C270-A273 PolarHBondContact O-N 2.54Å; C270-Y274 PolarHBondContact O-N 3.19Å; C270-E342 HydrophobicContact CB-CB 4.15Å; C270-E342 HydrophobicContact CB-CG 4.15Å; C270-E342 WeakPolarHBondContact CB-OE2 3.49Å |
| 271 | W | 95.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 1% | 0.011 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 135.4 | 171.2 | 177.9 | 90.4 | 0 | 0 | 0 | 111.3 | Y59 T62 Y274 Y338 I341 L345 V415 I418 L432 | Y59-W271 HydrophobicContact CD1-CH2 4.24Å; Y59-W271 HydrophobicContact CE1-CH2 4.01Å; Y59-W271 HydrophobicContact CE1-CZ3 4.06Å; T62-W271 HydrophobicContact CG2-CH2 4.14Å; T62-W271 HydrophobicContact CG2-CZ2 3.72Å; W271-Y274 HydrophobicContact CB-CE2 4.1Å; W271-Y338 HydrophobicContact CE3-CD1 4.11Å; W271-Y338 AromaticContact CE3-CE1 3.86Å; W271-Y338 HydrophobicContact CE3-CE1 3.86Å; W271-Y338 HydrophobicContact CZ3-CD1 4.42Å; W271-Y338 AromaticContact CZ3-CE1 3.87Å; W271-Y338 HydrophobicContact CZ3-CE1 3.87Å; W271-I341 HydrophobicContact CB-CG2 3.8Å; W271-I341 HydrophobicContact CD2-CG2 3.94Å; W271-I341 HydrophobicContact CE3-CD1 3.81Å; W271-I341 HydrophobicContact CE3-CG2 4.01Å; W271-I341 HydrophobicContact CG-CG2 3.86Å; W271-I341 HydrophobicContact CZ3-CD1 3.76Å; W271-L345 HydrophobicContact CB-CD1 3.69Å; W271-L345 HydrophobicContact CG-CD1 4.02Å; W271-V415 HydrophobicContact CZ3-CG1 4.47Å; W271-V415 HydrophobicContact CZ3-CG2 4.44Å; W271-I418 HydrophobicContact CH2-CD1 3.64Å; W271-I418 HydrophobicContact CZ2-CD1 4.07Å; W271-L432 HydrophobicContact CD2-CD2 4.41Å; W271-L432 HydrophobicContact CZ2-CD1 3.8Å; W271-L432 HydrophobicContact CZ2-CD2 4.27Å; W271-L432 HydrophobicContact CZ2-CG 4.26Å |
| 272 | P | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.5 | -6.1 | 8.8 | 35.3 | -35.8 | 0 | 0 | 0 | 115.2 | Y59 L146 M210 P267 R437 | Y59-P272 HydrophobicContact CE1-CG 4.46Å; L146-P272 HydrophobicContact CD1-CB 4.47Å; L146-P272 HydrophobicContact CD1-CG 3.52Å; M210-P272 HydrophobicContact CE-CG 4.36Å; P267-P272 WeakPolarHBondContact O-CD 3.49Å; P272-R437 PolarHBondContact O-NH1 3.14Å |
| 273 | A | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -39.2 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I149 M210 A213 P267 A268 C270 G275 R437 | I149-A273 HydrophobicContact CD1-CB 4.31Å; M210-A273 HydrophobicContact CE-CB 3.94Å; M210-A273 HydrophobicContact CG-CB 4.43Å; M210-A273 HydrophobicContact SD-CB 3.48Å; M210-A273 WeakPolarHBondContact SD-CB 3.31Å; A213-A273 HydrophobicContact CB-CB 4.06Å; A213-A273 WeakPolarHBondContact CB-O 3.08Å; P267-A273 WeakPolarHBondContact O-CB 3.43Å; P267-A273 PolarHBondContact O-N 3.03Å; A268-A273 WeakPolarHBondContact O-CB 3.34Å; C270-A273 PolarHBondContact O-N 2.54Å; A273-G275 PolarHBondContact O-N 3Å; A273-G275 VanDerWaalsContact O-N 3.12Å; A273-R437 PolarHBondContact O-NH1 3.1Å; A273-R437 PolarHBondContact O-NH2 3.26Å |
| 274 | Y | 92.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | trans | 42.8 | 48.6 | -173.6 | -64.7 | -70.3 | 0 | 0 | 0 | 113.3 | C270 W271 T276 E342 L345 R437 R438 P439 | C270-Y274 PolarHBondContact O-N 3.19Å; W271-Y274 HydrophobicContact CB-CE2 4.1Å; Y274-T276 PolarHBondContact O-N 2.7Å; Y274-E342 VanDerWaalsContact CE1-OE2 3.22Å; Y274-E342 WeakPolarHBondContact CE1-OE2 3.5Å; Y274-E342 PolarHBondContact OH-OE2 3.31Å; Y274-L345 VanDerWaalsContact OH-CD1 3.24Å; Y274-L345 WeakPolarHBondContact OH-CD1 3.41Å; Y274-R437 HydrophobicContact CD2-CB 4.05Å; Y274-R438 HydrophobicContact CD2-CB 4.44Å; Y274-R438 HydrophobicContact CE1-CB 4.38Å; Y274-R438 HydrophobicContact CE2-CB 3.9Å; Y274-P439 HydrophobicContact CD1-CG 4.41Å | ||
| 275 | G | 89.7 | Confident | 91.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -54.3 | -27.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K212 M248 A268 A273 | K212-G275 VanDerWaalsContact CD-O 3.23Å; K212-G275 WeakPolarHBondContact CD-O 3.39Å; K212-G275 WeakPolarHBondContact CE-O 3.4Å; K212-G275 PolarHBondContact NZ-O 3.37Å; M248-G275 VanDerWaalsContact SD-O 3.41Å; A268-G275 WeakPolarHBondContact O-CA 3.47Å; A268-G275 PolarHBondContact O-N 3.5Å; A273-G275 PolarHBondContact O-N 3Å; A273-G275 VanDerWaalsContact O-N 3.12Å | ||
| 276 | T | 86.4 | Confident | 91.1 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | trans | -134.4 | 140.6 | 165.9 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | M248 L252 L269 Y274 S278 T281 R282 | M248-T276 HydrophobicContact CE-CG2 4.38Å; L252-T276 HydrophobicContact CD1-CG2 4.12Å; L269-T276 HydrophobicContact CD2-CG2 3.57Å; Y274-T276 PolarHBondContact O-N 2.7Å; T276-S278 PolarHBondContact OG1-N 3.49Å; T276-S278 VanDerWaalsContact OG1-N 3.09Å; T276-T281 PolarHBondContact OG1-OG1 3.45Å; T276-R282 HydrophobicContact CG2-CB 3.9Å; T276-R282 HydrophobicContact CG2-CG 4.24Å; T276-R282 VanDerWaalsContact O-CD 3.26Å; T276-R282 WeakPolarHBondContact O-CD 3.17Å | ||
| 277 | C | 77.1 | Confident | 91 | Very high | 33 Ų | 33 | 26.4 Ų | 26.4 | 22% | 0.223 | 16% | 0.155 | C | C | . | . | trans | -100.1 | -2.4 | 169.8 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | T279 P439 R442 | C277-T279 PolarHBondContact O-N 3.1Å; C277-P439 HydrophobicContact CB-CB 4.38Å; C277-P439 HydrophobicContact CB-CG 4.19Å; C277-R442 PolarHBondContact SG-NH2 3.47Å | ||
| 278 | S | 80.8 | Confident | 90.8 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 25% | 0.245 | 17% | 0.17 | C | C | . | . | trans | -72.9 | 117.7 | 176.8 | 145.9 | 0 | 0 | 0 | 0 | 109 | T276 S280 T281 R282 | T276-S278 PolarHBondContact OG1-N 3.49Å; T276-S278 VanDerWaalsContact OG1-N 3.09Å; S278-S280 VanDerWaalsContact C-N 3.28Å; S278-S280 PolarHBondContact O-N 3.23Å; S278-S280 PolarHBondContact OG-OG 3.37Å; S278-T281 WeakPolarHBondContact CB-OG1 3.05Å; S278-T281 PolarHBondContact O-N 3.24Å; S278-T281 PolarHBondContact O-OG1 3.5Å; S278-T281 VanDerWaalsContact O-OG1 3.1Å; S278-T281 PolarHBondContact OG-N 3.4Å; S278-T281 PolarHBondContact OG-OG1 3.04Å; S278-R282 WeakPolarHBondContact O-CB 3.41Å; S278-R282 PolarHBondContact O-N 3.07Å | ||
| 279 | T | 83.6 | Confident | 90.8 | Very high | 92 Ų | 92 | 30.2 Ų | 30.2 | 56% | 0.564 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -61.9 | -36.9 | 178.3 | 47.5 | 0 | 0 | 0 | 0 | 112 | C277 T281 L283 | C277-T279 PolarHBondContact O-N 3.1Å; T279-T281 PolarHBondContact O-N 3.45Å; T279-L283 HydrophobicContact CG2-CD1 4.38Å; T279-L283 WeakPolarHBondContact O-CB 3.04Å; T279-L283 PolarHBondContact O-N 2.83Å; T279-L283 VanDerWaalsContact O-N 3.09Å |
| 280 | S | 83.6 | Confident | 90.8 | Very high | 92 Ų | 92 | 32.1 Ų | 32.1 | 64% | 0.643 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -63.2 | -22.9 | 179.2 | 56.9 | 0 | 0 | 0 | 0 | 114.7 | S278 P284 | S278-S280 VanDerWaalsContact C-N 3.28Å; S278-S280 PolarHBondContact O-N 3.23Å; S278-S280 PolarHBondContact OG-OG 3.37Å; S280-P284 WeakPolarHBondContact O-CG 3.1Å |
| 281 | T | 84.5 | Confident | 90.8 | Very high | 24 Ų | 24 | 39.4 Ų | 39.4 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -104.8 | -41.1 | 178.2 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | T249 T276 S278 T279 | T249-T281 HydrophobicContact CG2-CG2 3.79Å; T276-T281 PolarHBondContact OG1-OG1 3.45Å; S278-T281 WeakPolarHBondContact CB-OG1 3.05Å; S278-T281 PolarHBondContact O-N 3.24Å; S278-T281 PolarHBondContact O-OG1 3.5Å; S278-T281 VanDerWaalsContact O-OG1 3.1Å; S278-T281 PolarHBondContact OG-N 3.4Å; S278-T281 PolarHBondContact OG-OG1 3.04Å; T279-T281 PolarHBondContact O-N 3.45Å |
| 282 | R | 90.5 | Very high | 90.7 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.6 | -50.2 | -175.8 | -165.8 | -179.2 | 87.4 | 107.8 | -4.2 | 112.9 | L269 T276 S278 A285 L286 E342 | L269-R282 HydrophobicContact CB-CG 4.18Å; L269-R282 HydrophobicContact CD2-CG 4.43Å; L269-R282 PolarHBondContact O-NH1 3.39Å; T276-R282 HydrophobicContact CG2-CB 3.9Å; T276-R282 HydrophobicContact CG2-CG 4.24Å; T276-R282 VanDerWaalsContact O-CD 3.26Å; T276-R282 WeakPolarHBondContact O-CD 3.17Å; S278-R282 WeakPolarHBondContact O-CB 3.41Å; S278-R282 PolarHBondContact O-N 3.07Å; R282-A285 PolarHBondContact O-N 3.42Å; R282-L286 HydrophobicContact CG-CD1 4.07Å; R282-L286 WeakPolarHBondContact O-CG 3.41Å; R282-L286 PolarHBondContact O-N 3.1Å; R282-L286 VanDerWaalsContact O-N 3.1Å; R282-E342 IonicContact CZ-OE1 3.79Å; R282-E342 IonicContact NH1-OE1 3.63Å; R282-E342 PolarHBondContact NH1-OE1 3.41Å; R282-E342 IonicContact NH2-OE1 2.82Å; R282-E342 PolarHBondContact NH2-OE1 2.86Å; R282-E342 VanDerWaalsContact NH2-OE1 3.1Å |
| 283 | L | 91.8 | Very high | 90.7 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 37% | 0.372 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.6 | -46.8 | -172.4 | -61.8 | 178.6 | 0 | 0 | 0 | 112.2 | T279 A285 L286 E287 | T279-L283 HydrophobicContact CG2-CD1 4.38Å; T279-L283 WeakPolarHBondContact O-CB 3.04Å; T279-L283 PolarHBondContact O-N 2.83Å; T279-L283 VanDerWaalsContact O-N 3.09Å; L283-A285 PolarHBondContact O-N 2.98Å; L283-L286 PolarHBondContact O-N 3.46Å; L283-L286 VanDerWaalsContact O-N 3.11Å; L283-E287 WeakPolarHBondContact O-CB 3.43Å; L283-E287 WeakPolarHBondContact O-CG 3.47Å; L283-E287 PolarHBondContact O-N 3.31Å |
| 284 | P | 94.1 | Very high | 90.8 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 34% | 0.344 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -31.1 | 177.6 | -26.2 | 36.8 | 0 | 0 | 0 | 113.8 | S280 R288 | S280-P284 WeakPolarHBondContact O-CG 3.1Å; P284-R288 WeakPolarHBondContact O-CB 3.26Å; P284-R288 PolarHBondContact O-N 2.76Å; P284-R288 VanDerWaalsContact O-N 3.11Å |
| 285 | A | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.1 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L252 P253 L269 R282 L283 R288 C289 | L252-A285 HydrophobicContact CD2-CB 4.08Å; P253-A285 HydrophobicContact CB-CB 3.81Å; L269-A285 HydrophobicContact CD1-CB 3.61Å; R282-A285 PolarHBondContact O-N 3.42Å; L283-A285 PolarHBondContact O-N 2.98Å; A285-R288 PolarHBondContact O-N 3.08Å; A285-C289 PolarHBondContact O-N 3.01Å; A285-C289 VanDerWaalsContact O-N 3.1Å; A285-C289 PolarHBondContact O-SG 3.13Å |
| 286 | L | 95.4 | Very high | 91 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 176 | -70.4 | 174.9 | 0 | 0 | 0 | 112 | I266 L269 R282 L283 R288 C289 V290 | I266-L286 HydrophobicContact CG1-CD2 4.48Å; L269-L286 HydrophobicContact CB-CD2 4.03Å; L269-L286 HydrophobicContact CB-CG 4.33Å; L269-L286 HydrophobicContact CD1-CD2 4.13Å; L269-L286 HydrophobicContact CD1-CG 4.18Å; R282-L286 HydrophobicContact CG-CD1 4.07Å; R282-L286 WeakPolarHBondContact O-CG 3.41Å; R282-L286 PolarHBondContact O-N 3.1Å; R282-L286 VanDerWaalsContact O-N 3.1Å; L283-L286 PolarHBondContact O-N 3.46Å; L283-L286 VanDerWaalsContact O-N 3.11Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 2.6Å; L286-C289 WeakPolarHBondContact O-CB 3.41Å; L286-C289 PolarHBondContact O-N 3.2Å; L286-C289 VanDerWaalsContact O-N 3.09Å; L286-V290 WeakPolarHBondContact O-CG2 3.43Å; L286-V290 PolarHBondContact O-N 3.36Å |
| 287 | E | 95.7 | Very high | 91.5 | Very high | 108 Ų | 108 | 57.8 Ų | 57.8 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.4 | -47.3 | 174.4 | -75.3 | 166.6 | -176.9 | 0 | 0 | 110.5 | L283 C289 V290 E291 | L283-E287 WeakPolarHBondContact O-CB 3.43Å; L283-E287 WeakPolarHBondContact O-CG 3.47Å; L283-E287 PolarHBondContact O-N 3.31Å; E287-C289 VanDerWaalsContact C-N 3.32Å; E287-C289 PolarHBondContact O-N 3.45Å; E287-V290 PolarHBondContact O-N 3.49Å; E287-V290 VanDerWaalsContact O-N 3.15Å; E287-E291 WeakPolarHBondContact O-CB 3.45Å; E287-E291 VanDerWaalsContact O-CG 3.32Å; E287-E291 WeakPolarHBondContact O-CG 3.34Å; E287-E291 PolarHBondContact O-N 3.34Å |
| 288 | R | 94.3 | Very high | 92.4 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 30% | 0.302 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 175.6 | -174.7 | 177.7 | -64.5 | -172.9 | -0.1 | 113.2 | T261 P284 A285 L286 R292 | T261-R288 HydrophobicContact CG2-CG 4.44Å; P284-R288 WeakPolarHBondContact O-CB 3.26Å; P284-R288 PolarHBondContact O-N 2.76Å; P284-R288 VanDerWaalsContact O-N 3.11Å; A285-R288 PolarHBondContact O-N 3.08Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 2.6Å; R288-R292 HydrophobicContact CG-CG 4.4Å; R288-R292 VanDerWaalsContact O-CB 3.32Å; R288-R292 WeakPolarHBondContact O-CB 3.2Å; R288-R292 WeakPolarHBondContact O-CG 3.17Å; R288-R292 PolarHBondContact O-N 3.15Å; R288-R292 VanDerWaalsContact O-N 3.07Å |
| 289 | C | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.2 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | T261 D262 I266 A285 L286 E287 L293 | T261-C289 PolarHBondContact OG1-SG 2.9Å; D262-C289 PolarHBondContact O-SG 2.88Å; I266-C289 HydrophobicContact CG1-CB 4.46Å; A285-C289 PolarHBondContact O-N 3.01Å; A285-C289 VanDerWaalsContact O-N 3.1Å; A285-C289 PolarHBondContact O-SG 3.13Å; L286-C289 WeakPolarHBondContact O-CB 3.41Å; L286-C289 PolarHBondContact O-N 3.2Å; L286-C289 VanDerWaalsContact O-N 3.09Å; E287-C289 VanDerWaalsContact C-N 3.32Å; E287-C289 PolarHBondContact O-N 3.45Å; C289-L293 WeakPolarHBondContact O-CA 3.21Å; C289-L293 WeakPolarHBondContact O-CB 3.41Å; C289-L293 PolarHBondContact O-N 3.14Å |
| 290 | V | 95.9 | Very high | 93.8 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 24% | 0.242 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 178.4 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L286 E287 R292 K294 F299 M339 | L286-V290 WeakPolarHBondContact O-CG2 3.43Å; L286-V290 PolarHBondContact O-N 3.36Å; E287-V290 PolarHBondContact O-N 3.49Å; E287-V290 VanDerWaalsContact O-N 3.15Å; V290-R292 PolarHBondContact O-N 2.64Å; V290-K294 HydrophobicContact CG1-CD 4.09Å; V290-K294 WeakPolarHBondContact O-CB 3.48Å; V290-K294 PolarHBondContact O-N 3.01Å; V290-F299 HydrophobicContact CG2-CE1 4.17Å; V290-F299 HydrophobicContact CG2-CZ 4.23Å; V290-M339 HydrophobicContact CG2-CE 4.46Å |
| 291 | E | 95.4 | Very high | 94.4 | Very high | 153 Ų | 153 | 48 Ų | 48 | 72% | 0.715 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.7 | -40 | -177.8 | -73 | 175.5 | 174.9 | 0 | 0 | 113.3 | E287 | E287-E291 WeakPolarHBondContact O-CB 3.45Å; E287-E291 VanDerWaalsContact O-CG 3.32Å; E287-E291 WeakPolarHBondContact O-CG 3.34Å; E287-E291 PolarHBondContact O-N 3.34Å |
| 292 | R | 92.8 | Very high | 94.9 | Very high | 132 Ų | 132 | 46.9 Ų | 46.9 | 50% | 0.498 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -97.2 | -25.8 | -171.4 | -64 | -170.8 | 175.5 | -164.3 | -2.5 | 114.5 | T261 R288 V290 | T261-R292 HydrophobicContact CG2-CB 4.01Å; R288-R292 HydrophobicContact CG-CG 4.4Å; R288-R292 VanDerWaalsContact O-CB 3.32Å; R288-R292 WeakPolarHBondContact O-CB 3.2Å; R288-R292 WeakPolarHBondContact O-CG 3.17Å; R288-R292 PolarHBondContact O-N 3.15Å; R288-R292 VanDerWaalsContact O-N 3.07Å; V290-R292 PolarHBondContact O-N 2.64Å |
| 293 | L | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -114.8 | -22 | -170.6 | -53.8 | 177.3 | 0 | 0 | 0 | 113.7 | T261 A263 C289 G295 F299 K300 T303 | T261-L293 HydrophobicContact CG2-CD1 4.23Å; T261-L293 HydrophobicContact CG2-CD2 4.15Å; T261-L293 HydrophobicContact CG2-CG 4.13Å; A263-L293 HydrophobicContact CB-CD1 4.18Å; A263-L293 VanDerWaalsContact N-CD1 3.33Å; C289-L293 WeakPolarHBondContact O-CA 3.21Å; C289-L293 WeakPolarHBondContact O-CB 3.41Å; C289-L293 PolarHBondContact O-N 3.14Å; L293-G295 PolarHBondContact O-N 3.01Å; L293-F299 HydrophobicContact CB-CD1 4.05Å; L293-F299 CarbonylContact O-C 3.6Å; L293-F299 VanDerWaalsContact O-CA 3.29Å; L293-F299 WeakPolarHBondContact O-CA 3.43Å; L293-K300 HydrophobicContact CB-CB 4.48Å; L293-K300 HydrophobicContact CD2-CB 4.26Å; L293-K300 PolarHBondContact O-N 3.26Å; L293-T303 HydrophobicContact CD2-CG2 4.3Å |
| 294 | K | 96.1 | Very high | 94.8 | Very high | 88 Ų | 88 | 46 Ų | 46 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -66.6 | 122.8 | 177.8 | -174.4 | -177.7 | 169.6 | -175.4 | 0 | 110.3 | V290 F299 F336 | V290-K294 HydrophobicContact CG1-CD 4.09Å; V290-K294 WeakPolarHBondContact O-CB 3.48Å; V290-K294 PolarHBondContact O-N 3.01Å; K294-F299 HydrophobicContact CB-CD1 4.25Å; K294-F299 HydrophobicContact CB-CE1 3.89Å; K294-F299 HydrophobicContact CB-CE2 4.22Å; K294-F299 HydrophobicContact CB-CZ 3.86Å; K294-F299 HydrophobicContact CD-CZ 4.35Å; K294-F299 HydrophobicContact CG-CE2 4.04Å; K294-F299 HydrophobicContact CG-CZ 4.03Å; K294-F336 HydrophobicContact CG-CE1 4.21Å |
| 295 | G | 93.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | trans | -111.9 | -164.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L293 G298 | L293-G295 PolarHBondContact O-N 3.01Å; G295-G298 CarbonylContact C-O 3.6Å; G295-G298 WeakPolarHBondContact CA-O 3.46Å; G295-G298 PolarHBondContact N-O 3.08Å | ||
| 296 | V | 93.5 | Very high | 94.6 | Very high | 106 Ų | 106 | 43.5 Ų | 43.5 | 64% | 0.642 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -81.3 | -33.1 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | E331 | V296-E331 PolarHBondContact N-OE2 2.77Å; V296-E331 VanDerWaalsContact N-OE2 3.09Å |
| 297 | Y | 96.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -105 | 7.2 | -175.4 | -59.3 | -103.1 | 0 | 0 | 0 | 113 | E331 L362 Y378 R397 | Y297-E331 WeakPolarHBondContact CA-OE2 3.3Å; Y297-E331 WeakPolarHBondContact CB-OE2 3.43Å; Y297-E331 PolarHBondContact N-OE2 3.09Å; Y297-L362 HydrophobicContact CD1-CD2 3.56Å; Y297-L362 HydrophobicContact CE1-CD2 4.37Å; Y297-L362 HydrophobicContact CG-CD2 4.16Å; Y297-L362 WeakPolarHBondContact O-CD1 3.37Å; Y297-Y378 AromaticContact CD1-CD1 3.42Å; Y297-Y378 HydrophobicContact CD1-CD1 3.42Å; Y297-Y378 VanDerWaalsContact CD1-CD1 3.42Å; Y297-Y378 HydrophobicContact CD1-CD2 4.46Å; Y297-Y378 AromaticContact CD1-CE1 3.82Å; Y297-Y378 HydrophobicContact CD1-CE1 3.82Å; Y297-Y378 AromaticContact CD1-CG 3.79Å; Y297-Y378 HydrophobicContact CD1-CG 3.79Å; Y297-Y378 HydrophobicContact CE1-CD1 4.04Å; Y297-Y378 HydrophobicContact CE1-CE1 4.29Å; Y297-Y378 HydrophobicContact CG-CD1 4.2Å; Y297-Y378 HydrophobicContact CG-CG 4.14Å; Y297-R397 HydrophobicContact CD1-CB 4.23Å; Y297-R397 HydrophobicContact CD2-CB 4.12Å; Y297-R397 HydrophobicContact CD2-CG 4.11Å; Y297-R397 HydrophobicContact CE1-CB 4.08Å; Y297-R397 HydrophobicContact CE2-CB 3.96Å; Y297-R397 HydrophobicContact CE2-CG 3.97Å; Y297-R397 HydrophobicContact CG-CB 4.26Å; Y297-R397 PolarHBondContact OH-N 3.1Å |
| 298 | G | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 142.7 | -156.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G295 W332 | G295-G298 CarbonylContact C-O 3.6Å; G295-G298 WeakPolarHBondContact CA-O 3.46Å; G295-G298 PolarHBondContact N-O 3.08Å; G298-W332 WeakPolarHBondContact CA-O 3.29Å |
| 299 | F | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 140.8 | 175.7 | -74.1 | -119.8 | 0 | 0 | 0 | 110.8 | I266 V290 L293 K294 W332 F335 F336 M339 | I266-F299 HydrophobicContact CD1-CD1 3.98Å; I266-F299 HydrophobicContact CD1-CE1 3.99Å; V290-F299 HydrophobicContact CG2-CE1 4.17Å; V290-F299 HydrophobicContact CG2-CZ 4.23Å; L293-F299 HydrophobicContact CB-CD1 4.05Å; L293-F299 CarbonylContact O-C 3.6Å; L293-F299 VanDerWaalsContact O-CA 3.29Å; L293-F299 WeakPolarHBondContact O-CA 3.43Å; K294-F299 HydrophobicContact CB-CD1 4.25Å; K294-F299 HydrophobicContact CB-CE1 3.89Å; K294-F299 HydrophobicContact CB-CE2 4.22Å; K294-F299 HydrophobicContact CB-CZ 3.86Å; K294-F299 HydrophobicContact CD-CZ 4.35Å; K294-F299 HydrophobicContact CG-CE2 4.04Å; K294-F299 HydrophobicContact CG-CZ 4.03Å; F299-W332 PolarHBondContact N-O 3.06Å; F299-W332 WeakPolarHBondContact O-CB 3.46Å; F299-W332 PolarHBondContact O-N 3.32Å; F299-F335 HydrophobicContact CB-CB 3.8Å; F299-F335 HydrophobicContact CB-CD2 3.82Å; F299-F335 HydrophobicContact CB-CG 4.04Å; F299-F335 HydrophobicContact CD2-CB 3.52Å; F299-F335 HydrophobicContact CE2-CB 4.22Å; F299-F335 HydrophobicContact CG-CB 3.73Å; F299-F335 HydrophobicContact CG-CG 4.38Å; F299-F336 HydrophobicContact CD2-CD1 4.1Å; F299-F336 AromaticContact CD2-CE1 3.98Å; F299-F336 HydrophobicContact CD2-CE1 3.98Å; F299-F336 AromaticContact CE2-CD1 3.66Å; F299-F336 HydrophobicContact CE2-CD1 3.66Å; F299-F336 AromaticContact CE2-CE1 3.6Å; F299-F336 HydrophobicContact CE2-CE1 3.6Å; F299-M339 HydrophobicContact CE2-CG 4.5Å; F299-M339 HydrophobicContact CZ-CG 4.33Å |
| 300 | K | 96.7 | Very high | 93.9 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 16% | 0.161 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 147.1 | 164.5 | -58.6 | 173.5 | -177.2 | -165.7 | 0 | 108.9 | L293 E329 E331 | L293-K300 HydrophobicContact CB-CB 4.48Å; L293-K300 HydrophobicContact CD2-CB 4.26Å; L293-K300 PolarHBondContact O-N 3.26Å; K300-E329 HydrophobicContact CB-CB 4.49Å; K300-E329 HydrophobicContact CD-CB 3.92Å; K300-E329 HydrophobicContact CD-CG 4.38Å; K300-E329 WeakPolarHBondContact CE-OE2 3.33Å; K300-E329 HydrophobicContact CG-CB 4.06Å; K300-E329 IonicContact NZ-OE2 3.51Å; K300-E329 PolarHBondContact NZ-OE2 2.93Å; K300-E331 HydrophobicContact CG-CG 4.24Å |
| 301 | R | 96 | Very high | 93.7 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 3% | 0.034 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -64.5 | -53.2 | 175.1 | -60.4 | -168.5 | -58.6 | 165.7 | 11.5 | 110.6 | W190 D262 A263 D305 W332 | W190-R301 HydrophobicContact CD2-CG 4.41Å; W190-R301 HydrophobicContact CH2-CG 4.2Å; W190-R301 HydrophobicContact CZ2-CB 4.16Å; W190-R301 HydrophobicContact CZ2-CG 3.9Å; D262-R301 CarbonylContact C-O 3.54Å; D262-R301 WeakPolarHBondContact CA-O 3.33Å; A263-R301 PolarHBondContact N-O 3.27Å; R301-D305 WeakPolarHBondContact CB-OD2 3.33Å; R301-D305 IonicContact CZ-OD1 3.76Å; R301-D305 IonicContact CZ-OD2 3.98Å; R301-D305 VanDerWaalsContact CZ-OD2 3.23Å; R301-D305 IonicContact NE-OD2 3.85Å; R301-D305 PolarHBondContact NE-OD2 3.28Å; R301-D305 VanDerWaalsContact NH2-CG 3.28Å; R301-D305 IonicContact NH2-OD1 2.69Å; R301-D305 PolarHBondContact NH2-OD1 2.76Å; R301-D305 IonicContact NH2-OD2 2.93Å; R301-D305 PolarHBondContact NH2-OD2 2.96Å; R301-W332 HydrophobicContact CG-CD2 4.35Å; R301-W332 HydrophobicContact CG-CG 4.37Å; R301-W332 HydrophobicContact CG-CZ2 4.34Å |
| 302 | F | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -153.7 | 170.1 | 170.6 | 49.9 | -92.6 | 0 | 0 | 0 | 109.6 | W190 K195 K259 D262 D305 | W190-F302 AromaticContact CD1-CD1 3.99Å; W190-F302 AromaticContact CD1-CE1 3.92Å; K195-F302 HydrophobicContact CG-CD2 4.18Å; K195-F302 HydrophobicContact CG-CE2 4.08Å; K259-F302 HydrophobicContact CD-CD1 4.31Å; K259-F302 HydrophobicContact CD-CG 4.42Å; D262-F302 HydrophobicContact CB-CB 4.46Å; D262-F302 VanDerWaalsContact OD2-CD1 3.28Å; D262-F302 WeakPolarHBondContact OD2-CD1 3.29Å; F302-D305 HydrophobicContact CD2-CB 3.79Å; F302-D305 HydrophobicContact CE1-CB 4.34Å; F302-D305 HydrophobicContact CE2-CB 3.58Å; F302-D305 HydrophobicContact CG-CB 4.26Å; F302-D305 HydrophobicContact CZ-CB 3.87Å; F302-D305 WeakPolarHBondContact CZ-OD1 3.26Å; F302-D305 WeakPolarHBondContact O-CB 3.43Å; F302-D305 PolarHBondContact O-N 2.84Å |
| 303 | T | 91 | Very high | 92.9 | Very high | 44 Ų | 44 | 34.4 Ų | 34.4 | 27% | 0.27 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 139.5 | 179.6 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | L293 D305 | L293-T303 HydrophobicContact CD2-CG2 4.3Å; T303-D305 PolarHBondContact O-N 2.9Å |
| 304 | R | 90 | Very high | 92.1 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 11% | 0.109 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 25.8 | -174.7 | -50.3 | -170.7 | 176.4 | 160 | -3.2 | 114.2 | G306 L322 V326 E329 T1097 D1098 M1099 | R304-G306 PolarHBondContact O-N 3.04Å; R304-L322 HydrophobicContact CB-CB 4.29Å; R304-V326 HydrophobicContact CG-CG2 3.7Å; R304-E329 PolarHBondContact N-OE1 3.35Å; R304-T1097 PolarHBondContact NH1-O 3.47Å; R304-D1098 VanDerWaalsContact NH1-C 3.32Å; R304-D1098 PolarHBondContact NH1-O 3.4Å; R304-M1099 PolarHBondContact NH1-O 3.26Å |
| 305 | D | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -73.9 | 114.3 | 174.1 | -176.1 | 22.7 | 0 | 0 | 0 | 111 | R301 F302 T303 Y307 E329 | R301-D305 WeakPolarHBondContact CB-OD2 3.33Å; R301-D305 IonicContact CZ-OD1 3.76Å; R301-D305 IonicContact CZ-OD2 3.98Å; R301-D305 VanDerWaalsContact CZ-OD2 3.23Å; R301-D305 IonicContact NE-OD2 3.85Å; R301-D305 PolarHBondContact NE-OD2 3.28Å; R301-D305 VanDerWaalsContact NH2-CG 3.28Å; R301-D305 IonicContact NH2-OD1 2.69Å; R301-D305 PolarHBondContact NH2-OD1 2.76Å; R301-D305 IonicContact NH2-OD2 2.93Å; R301-D305 PolarHBondContact NH2-OD2 2.96Å; F302-D305 HydrophobicContact CD2-CB 3.79Å; F302-D305 HydrophobicContact CE1-CB 4.34Å; F302-D305 HydrophobicContact CE2-CB 3.58Å; F302-D305 HydrophobicContact CG-CB 4.26Å; F302-D305 HydrophobicContact CZ-CB 3.87Å; F302-D305 WeakPolarHBondContact CZ-OD1 3.26Å; F302-D305 WeakPolarHBondContact O-CB 3.43Å; F302-D305 PolarHBondContact O-N 2.84Å; T303-D305 PolarHBondContact O-N 2.9Å; D305-Y307 WeakPolarHBondContact OD1-CB 3.45Å; D305-Y307 PolarHBondContact OD1-N 3.39Å; D305-Y307 VanDerWaalsContact OD1-N 3.13Å; D305-E329 WeakPolarHBondContact O-CG 3.29Å | ||
| 306 | G | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -79.1 | -15.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R304 A308 T309 D312 Y317 F325 | R304-G306 PolarHBondContact O-N 3.04Å; G306-A308 PolarHBondContact O-N 3.36Å; G306-T309 WeakPolarHBondContact O-CB 3.39Å; G306-T309 WeakPolarHBondContact O-CG2 3.42Å; G306-T309 PolarHBondContact O-N 3.16Å; G306-T309 PolarHBondContact O-OG1 2.74Å; G306-D312 VanDerWaalsContact O-CB 3.31Å; G306-D312 WeakPolarHBondContact O-CB 3.19Å; G306-Y317 VanDerWaalsContact CA-OH 3.26Å; G306-Y317 WeakPolarHBondContact CA-OH 3.48Å; G306-F325 VanDerWaalsContact CA-CD1 3.46Å | ||
| 307 | Y | 92.2 | Very high | 90.3 | Very high | 59 Ų | 59 | 37 Ų | 37 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 127 | -171.3 | 177.7 | -100 | 0 | 0 | 0 | 111.9 | D305 T309 D312 Y317 W332 K376 | D305-Y307 WeakPolarHBondContact OD1-CB 3.45Å; D305-Y307 PolarHBondContact OD1-N 3.39Å; D305-Y307 VanDerWaalsContact OD1-N 3.13Å; Y307-T309 PolarHBondContact O-N 2.99Å; Y307-D312 VanDerWaalsContact CA-OD2 3.32Å; Y307-D312 WeakPolarHBondContact CA-OD2 3.43Å; Y307-Y317 PolarHBondContact N-OH 3.27Å; Y307-W332 AromaticContact CD1-CZ2 3.93Å; Y307-W332 HydrophobicContact CD1-CZ2 3.93Å; Y307-W332 HydrophobicContact CE1-CH2 4.23Å; Y307-W332 AromaticContact CE1-CZ2 3.68Å; Y307-W332 HydrophobicContact CE1-CZ2 3.68Å; Y307-K376 PolarHBondContact OH-NZ 3.12Å; Y307-K376 VanDerWaalsContact OH-NZ 3.14Å |
| 308 | A | 90 | Very high | 89.8 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 22.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G306 D312 S330 F377 F379 | G306-A308 PolarHBondContact O-N 3.36Å; A308-D312 PolarHBondContact N-OD2 3.46Å; A308-D312 VanDerWaalsContact N-OD2 3.08Å; A308-S330 PolarHBondContact O-OG 3.01Å; A308-F377 HydrophobicContact CB-CD1 4.14Å; A308-F377 HydrophobicContact CB-CD2 4.04Å; A308-F377 HydrophobicContact CB-CE1 3.64Å; A308-F377 HydrophobicContact CB-CE2 3.52Å; A308-F377 HydrophobicContact CB-CG 4.35Å; A308-F377 HydrophobicContact CB-CZ 3.33Å; A308-F379 WeakPolarHBondContact O-CB 3.48Å |
| 309 | T | 92.5 | Very high | 88.9 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -81.2 | 155 | 160.5 | 69.4 | 0 | 0 | 0 | 0 | 109.1 | G306 Y307 L311 D312 F325 I328 | G306-T309 WeakPolarHBondContact O-CB 3.39Å; G306-T309 WeakPolarHBondContact O-CG2 3.42Å; G306-T309 PolarHBondContact O-N 3.16Å; G306-T309 PolarHBondContact O-OG1 2.74Å; Y307-T309 PolarHBondContact O-N 2.99Å; T309-L311 PolarHBondContact O-N 3.43Å; T309-L311 VanDerWaalsContact O-N 3.1Å; T309-D312 WeakPolarHBondContact O-CB 3.35Å; T309-D312 PolarHBondContact O-N 3.06Å; T309-D312 PolarHBondContact OG1-N 2.9Å; T309-F325 HydrophobicContact CG2-CD1 4.35Å; T309-F325 VanDerWaalsContact OG1-CD1 3.29Å; T309-F325 WeakPolarHBondContact OG1-CD1 3.41Å; T309-F325 WeakPolarHBondContact OG1-CE1 3.25Å; T309-I328 HydrophobicContact CG2-CG1 4.48Å |
| 310 | V | 91.8 | Very high | 87.9 | Confident | 48 Ų | 48 | 44.3 Ų | 44.3 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -9.7 | 177.9 | -67.1 | 0 | 0 | 0 | 0 | 114 | F379 V380 L385 | V310-F379 HydrophobicContact CG1-CD2 3.72Å; V310-F379 HydrophobicContact CG1-CE2 3.83Å; V310-V380 WeakPolarHBondContact CG1-O 3.38Å; V310-V380 WeakPolarHBondContact CG2-O 3.04Å; V310-L385 HydrophobicContact CG2-CD1 3.65Å; V310-L385 HydrophobicContact CG2-CD2 3.72Å; V310-L385 HydrophobicContact CG2-CG 3.88Å |
| 311 | L | 91.1 | Very high | 87.4 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -0.8 | 176.2 | -58.8 | -175 | 0 | 0 | 0 | 112.7 | T309 T313 K324 F325 I328 L385 | T309-L311 PolarHBondContact O-N 3.43Å; T309-L311 VanDerWaalsContact O-N 3.1Å; L311-T313 PolarHBondContact O-N 3.41Å; L311-K324 HydrophobicContact CD1-CB 4.41Å; L311-F325 HydrophobicContact CB-CD1 4.46Å; L311-F325 HydrophobicContact CB-CE1 4.09Å; L311-I328 HydrophobicContact CD1-CD1 3.65Å; L311-I328 HydrophobicContact CG-CD1 4.08Å; L311-L385 HydrophobicContact CD1-CD1 4.47Å; L311-L385 HydrophobicContact CD2-CD1 3.78Å; L311-L385 HydrophobicContact CG-CD1 4.15Å |
| 312 | D | 88.9 | Confident | 86.9 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | trans | -75.2 | 98.4 | 178 | -167.1 | 12.6 | 0 | 0 | 0 | 109.6 | G306 Y307 A308 T309 Y317 | G306-D312 VanDerWaalsContact O-CB 3.31Å; G306-D312 WeakPolarHBondContact O-CB 3.19Å; Y307-D312 VanDerWaalsContact CA-OD2 3.32Å; Y307-D312 WeakPolarHBondContact CA-OD2 3.43Å; A308-D312 PolarHBondContact N-OD2 3.46Å; A308-D312 VanDerWaalsContact N-OD2 3.08Å; T309-D312 WeakPolarHBondContact O-CB 3.35Å; T309-D312 PolarHBondContact O-N 3.06Å; T309-D312 PolarHBondContact OG1-N 2.9Å; D312-Y317 WeakPolarHBondContact OD1-CE1 3.4Å; D312-Y317 PolarHBondContact OD1-OH 3.05Å | ||
| 313 | T | 82.6 | Confident | 86.4 | Confident | 108 Ų | 108 | 46.4 Ų | 46.4 | 66% | 0.663 | 26% | 0.258 | S | S | * | . | trans | -98.9 | -33.7 | 179.4 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | L311 | L311-T313 PolarHBondContact O-N 3.41Š| ||
| 314 | D | 78.5 | Confident | 86.3 | Confident | 94 Ų | 94 | 49 Ų | 49 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | trans | -130 | 144.4 | -175 | -68.8 | -56.3 | 0 | 0 | 0 | 110.8 | E316 Y317 | D314-E316 VanDerWaalsContact C-N 3.32Å; D314-E316 PolarHBondContact O-N 3.4Å; D314-Y317 WeakPolarHBondContact O-CE1 3.32Å | ||
| 315 | S | 76.5 | Confident | 86.3 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -71.2 | -30.2 | 177.6 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | R192 N197 | R192-S315 PolarHBondContact NH2-O 3.12Å; R192-S315 VanDerWaalsContact NH2-O 3.16Å; N197-S315 WeakPolarHBondContact CB-O 3.39Å; N197-S315 PolarHBondContact ND2-O 2.69Å |
| 316 | E | 84.6 | Confident | 86.2 | Confident | 93 Ų | 93 | 49.7 Ų | 49.7 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -103.7 | 114.3 | 178 | -57.2 | -165.9 | 159.8 | 0 | 0 | 110.7 | D314 | D314-E316 VanDerWaalsContact C-N 3.32Å; D314-E316 PolarHBondContact O-N 3.4Å |
| 317 | Y | 86.3 | Confident | 86 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -84 | 135.1 | -172.1 | -58.3 | -44.9 | 0 | 0 | 0 | 112.1 | R192 Q196 R198 G306 Y307 D312 D314 E321 L322 F325 | R192-Y317 PolarHBondContact NH2-OH 3.22Å; Q196-Y317 PolarHBondContact O-N 2.96Å; R198-Y317 VanDerWaalsContact CZ-O 3.26Å; R198-Y317 PolarHBondContact NE-O 3.47Å; R198-Y317 PolarHBondContact NH2-O 2.93Å; G306-Y317 VanDerWaalsContact CA-OH 3.26Å; G306-Y317 WeakPolarHBondContact CA-OH 3.48Å; Y307-Y317 PolarHBondContact N-OH 3.27Å; D312-Y317 WeakPolarHBondContact OD1-CE1 3.4Å; D312-Y317 PolarHBondContact OD1-OH 3.05Å; D314-Y317 WeakPolarHBondContact O-CE1 3.32Å; Y317-E321 WeakPolarHBondContact CA-OE2 3.34Å; Y317-E321 HydrophobicContact CD1-CG 4.19Å; Y317-E321 HydrophobicContact CG-CG 4.45Å; Y317-L322 HydrophobicContact CD2-CD2 3.33Å; Y317-L322 HydrophobicContact CD2-CG 4.44Å; Y317-L322 HydrophobicContact CE2-CD2 3.82Å; Y317-L322 HydrophobicContact CG-CD2 4.12Å; Y317-F325 AromaticContact CD1-CE2 3.96Å; Y317-F325 HydrophobicContact CD1-CE2 3.96Å; Y317-F325 HydrophobicContact CD1-CZ 4.1Å; Y317-F325 HydrophobicContact CD2-CE2 4.26Å; Y317-F325 AromaticContact CE1-CE2 3.73Å; Y317-F325 HydrophobicContact CE1-CE2 3.73Å; Y317-F325 AromaticContact CE1-CZ 3.69Å; Y317-F325 HydrophobicContact CE1-CZ 3.69Å; Y317-F325 AromaticContact CE2-CE2 3.95Å; Y317-F325 HydrophobicContact CE2-CE2 3.95Å; Y317-F325 HydrophobicContact CG-CE2 4.25Å; Y317-F325 AromaticContact CZ-CE2 3.73Å |
| 318 | Q | 83.9 | Confident | 86.1 | Confident | 120 Ų | 120 | 47.3 Ų | 47.3 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 160.1 | 174.5 | -65.1 | -55.8 | -35.8 | 0 | 0 | 111.6 | G320 E321 | Q318-G320 PolarHBondContact O-N 3.19Å; Q318-E321 PolarHBondContact N-OE2 3.34Å; Q318-E321 WeakPolarHBondContact O-CB 3.33Å; Q318-E321 PolarHBondContact O-N 3.17Å; Q318-E321 VanDerWaalsContact O-N 3.12Å |
| 319 | P | 78.2 | Confident | 86.3 | Confident | 64 Ų | 64 | 46.7 Ų | 46.7 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 128.5 | -179.1 | -17.6 | 28 | 0 | 0 | 0 | 111.6 | R198 P1094 D1098 | R198-P319 VanDerWaalsContact NH2-CG 3.34Å; P319-P1094 VanDerWaalsContact C-CB 3.48Å; P319-P1094 HydrophobicContact CB-CB 3.36Å; P319-P1094 HydrophobicContact CB-CG 3.38Å; P319-D1098 WeakPolarHBondContact CA-OD2 3.38Å |
| 320 | G | 77.1 | Confident | 86.4 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q318 L322 T1097 D1098 | Q318-G320 PolarHBondContact O-N 3.19Å; G320-L322 VanDerWaalsContact C-N 3.32Å; G320-L322 PolarHBondContact O-N 3.22Å; G320-T1097 VanDerWaalsContact CA-CB 3.49Å; G320-T1097 WeakPolarHBondContact CA-OG1 3.49Å; G320-D1098 WeakPolarHBondContact CA-OD1 3.31Å; G320-D1098 PolarHBondContact N-OD1 3.47Å; G320-D1098 PolarHBondContact N-OD2 2.89Å |
| 321 | E | 85.8 | Confident | 86.7 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -67.6 | -30.7 | -178 | 178.5 | 148.5 | -124.3 | 0 | 0 | 113.2 | Y317 Q318 M323 K324 F325 | Y317-E321 WeakPolarHBondContact CA-OE2 3.34Å; Y317-E321 HydrophobicContact CD1-CG 4.19Å; Y317-E321 HydrophobicContact CG-CG 4.45Å; Q318-E321 PolarHBondContact N-OE2 3.34Å; Q318-E321 WeakPolarHBondContact O-CB 3.33Å; Q318-E321 PolarHBondContact O-N 3.17Å; Q318-E321 VanDerWaalsContact O-N 3.12Å; E321-M323 PolarHBondContact O-N 2.88Å; E321-M323 VanDerWaalsContact O-N 3.08Å; E321-K324 HydrophobicContact CG-CD 4.13Å; E321-K324 VanDerWaalsContact O-CB 3.28Å; E321-K324 WeakPolarHBondContact O-CB 3.34Å; E321-K324 VanDerWaalsContact O-CG 3.32Å; E321-K324 WeakPolarHBondContact O-CG 3.36Å; E321-K324 PolarHBondContact O-N 3.01Å; E321-K324 IonicContact OE1-NZ 3.83Å; E321-K324 PolarHBondContact OE1-NZ 3.02Å; E321-F325 HydrophobicContact CG-CE2 4.12Å; E321-F325 HydrophobicContact CG-CZ 4.14Å |
| 322 | L | 86.2 | Confident | 87 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -58.8 | -27.5 | -177.1 | -69.3 | -180 | 0 | 0 | 0 | 113.3 | K195 Q196 R304 Y317 G320 K324 F325 D1098 | K195-L322 HydrophobicContact CB-CD1 4.01Å; Q196-L322 HydrophobicContact CG-CD1 4.03Å; R304-L322 HydrophobicContact CB-CB 4.29Å; Y317-L322 HydrophobicContact CD2-CD2 3.33Å; Y317-L322 HydrophobicContact CD2-CG 4.44Å; Y317-L322 HydrophobicContact CE2-CD2 3.82Å; Y317-L322 HydrophobicContact CG-CD2 4.12Å; G320-L322 VanDerWaalsContact C-N 3.32Å; G320-L322 PolarHBondContact O-N 3.22Å; L322-K324 PolarHBondContact O-N 2.81Å; L322-F325 HydrophobicContact CD2-CD2 4.32Å; L322-F325 HydrophobicContact CD2-CE2 4.39Å; L322-F325 PolarHBondContact O-N 3.13Å; L322-D1098 HydrophobicContact CD1-CB 4.5Å |
| 323 | M | 84.2 | Confident | 87.4 | Confident | 78 Ų | 78 | 40.4 Ų | 40.4 | 38% | 0.384 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -62.2 | -29.4 | 175.1 | -85.8 | -54.2 | -137.6 | 0 | 0 | 113.5 | E321 F325 V326 L1096 T1097 | E321-M323 PolarHBondContact O-N 2.88Å; E321-M323 VanDerWaalsContact O-N 3.08Å; M323-F325 PolarHBondContact O-N 3.32Å; M323-F325 VanDerWaalsContact O-N 3.08Å; M323-V326 PolarHBondContact O-N 3.35Å; M323-V326 HydrophobicContact SD-CG2 3.79Å; M323-L1096 WeakPolarHBondContact CE-O 3.4Å; M323-T1097 HydrophobicContact CB-CG2 4.48Å; M323-T1097 HydrophobicContact CG-CG2 3.76Å; M323-T1097 VanDerWaalsContact CG-O 3.22Å; M323-T1097 WeakPolarHBondContact CG-O 3.43Å |
| 324 | K | 88 | Confident | 88.1 | Confident | 97 Ų | 97 | 35.3 Ų | 35.3 | 42% | 0.422 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -58.9 | -26.7 | -177.4 | -62.5 | 179.5 | -167.9 | 167.1 | 0 | 111.6 | L311 E321 L322 I328 R389 | L311-K324 HydrophobicContact CD1-CB 4.41Å; E321-K324 HydrophobicContact CG-CD 4.13Å; E321-K324 VanDerWaalsContact O-CB 3.28Å; E321-K324 WeakPolarHBondContact O-CB 3.34Å; E321-K324 VanDerWaalsContact O-CG 3.32Å; E321-K324 WeakPolarHBondContact O-CG 3.36Å; E321-K324 PolarHBondContact O-N 3.01Å; E321-K324 IonicContact OE1-NZ 3.83Å; E321-K324 PolarHBondContact OE1-NZ 3.02Å; L322-K324 PolarHBondContact O-N 2.81Å; K324-I328 WeakPolarHBondContact O-CD1 3.39Å; K324-R389 PolarHBondContact O-NH2 2.82Å |
| 325 | F | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -92.4 | -11 | -174.1 | -48 | -52.9 | 0 | 0 | 0 | 114.1 | G306 T309 L311 Y317 E321 L322 M323 G327 I328 E329 | G306-F325 VanDerWaalsContact CA-CD1 3.46Å; T309-F325 HydrophobicContact CG2-CD1 4.35Å; T309-F325 VanDerWaalsContact OG1-CD1 3.29Å; T309-F325 WeakPolarHBondContact OG1-CD1 3.41Å; T309-F325 WeakPolarHBondContact OG1-CE1 3.25Å; L311-F325 HydrophobicContact CB-CD1 4.46Å; L311-F325 HydrophobicContact CB-CE1 4.09Å; Y317-F325 AromaticContact CD1-CE2 3.96Å; Y317-F325 HydrophobicContact CD1-CE2 3.96Å; Y317-F325 HydrophobicContact CD1-CZ 4.1Å; Y317-F325 HydrophobicContact CD2-CE2 4.26Å; Y317-F325 AromaticContact CE1-CE2 3.73Å; Y317-F325 HydrophobicContact CE1-CE2 3.73Å; Y317-F325 AromaticContact CE1-CZ 3.69Å; Y317-F325 HydrophobicContact CE1-CZ 3.69Å; Y317-F325 AromaticContact CE2-CE2 3.95Å; Y317-F325 HydrophobicContact CE2-CE2 3.95Å; Y317-F325 HydrophobicContact CG-CE2 4.25Å; Y317-F325 AromaticContact CZ-CE2 3.73Å; E321-F325 HydrophobicContact CG-CE2 4.12Å; E321-F325 HydrophobicContact CG-CZ 4.14Å; L322-F325 HydrophobicContact CD2-CD2 4.32Å; L322-F325 HydrophobicContact CD2-CE2 4.39Å; L322-F325 PolarHBondContact O-N 3.13Å; M323-F325 PolarHBondContact O-N 3.32Å; M323-F325 VanDerWaalsContact O-N 3.08Å; F325-G327 PolarHBondContact O-N 2.87Å; F325-G327 VanDerWaalsContact O-N 3.15Å; F325-I328 WeakPolarHBondContact O-CG1 3.2Å; F325-I328 PolarHBondContact O-N 2.94Å; F325-I328 VanDerWaalsContact O-N 3.1Å; F325-E329 VanDerWaalsContact O-CD 3.27Å; F325-E329 WeakPolarHBondContact O-CG 3.44Å; F325-E329 PolarHBondContact O-N 2.68Å |
| 326 | V | 88.6 | Confident | 90.1 | Very high | 44 Ų | 44 | 27.1 Ų | 27.1 | 27% | 0.267 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 122.2 | -179.1 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | R304 M323 I328 R392 | R304-V326 HydrophobicContact CG-CG2 3.7Å; M323-V326 PolarHBondContact O-N 3.35Å; M323-V326 HydrophobicContact SD-CG2 3.79Å; V326-I328 PolarHBondContact O-N 3.38Å; V326-R392 VanDerWaalsContact CG1-NH2 3.34Å |
| 327 | G | 88.2 | Confident | 90.8 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 8% | 0.082 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -23.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F325 E329 | F325-G327 PolarHBondContact O-N 2.87Å; F325-G327 VanDerWaalsContact O-N 3.15Å; G327-E329 VanDerWaalsContact CA-OE2 3.28Å; G327-E329 WeakPolarHBondContact CA-OE2 3.35Å; G327-E329 PolarHBondContact N-OE2 2.75Å |
| 328 | I | 93.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 5.7 | -178.9 | 65.7 | 164.4 | 0 | 0 | 0 | 113.1 | T309 L311 K324 F325 V326 V380 L385 E388 | T309-I328 HydrophobicContact CG2-CG1 4.48Å; L311-I328 HydrophobicContact CD1-CD1 3.65Å; L311-I328 HydrophobicContact CG-CD1 4.08Å; K324-I328 WeakPolarHBondContact O-CD1 3.39Å; F325-I328 WeakPolarHBondContact O-CG1 3.2Å; F325-I328 PolarHBondContact O-N 2.94Å; F325-I328 VanDerWaalsContact O-N 3.1Å; V326-I328 PolarHBondContact O-N 3.38Å; I328-V380 HydrophobicContact CB-CB 4.5Å; I328-V380 HydrophobicContact CB-CG2 4.29Å; I328-L385 HydrophobicContact CB-CD2 4.39Å; I328-L385 HydrophobicContact CD1-CD2 3.81Å; I328-L385 HydrophobicContact CG2-CD2 4.04Å; I328-E388 HydrophobicContact CG2-CB 4.39Å; I328-E388 HydrophobicContact CG2-CG 3.96Å |
| 329 | E | 94.5 | Very high | 92 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | trans | -55.4 | 140 | -177.8 | -55 | 97.7 | 148.1 | 0 | 0 | 111.1 | K300 R304 D305 F325 G327 R397 | K300-E329 HydrophobicContact CB-CB 4.49Å; K300-E329 HydrophobicContact CD-CB 3.92Å; K300-E329 HydrophobicContact CD-CG 4.38Å; K300-E329 WeakPolarHBondContact CE-OE2 3.33Å; K300-E329 HydrophobicContact CG-CB 4.06Å; K300-E329 IonicContact NZ-OE2 3.51Å; K300-E329 PolarHBondContact NZ-OE2 2.93Å; R304-E329 PolarHBondContact N-OE1 3.35Å; D305-E329 WeakPolarHBondContact O-CG 3.29Å; F325-E329 VanDerWaalsContact O-CD 3.27Å; F325-E329 WeakPolarHBondContact O-CG 3.44Å; F325-E329 PolarHBondContact O-N 2.68Å; G327-E329 VanDerWaalsContact CA-OE2 3.28Å; G327-E329 WeakPolarHBondContact CA-OE2 3.35Å; G327-E329 PolarHBondContact N-OE2 2.75Å; E329-R397 VanDerWaalsContact O-CZ 3.31Å; E329-R397 PolarHBondContact O-NH1 2.69Å; E329-R397 PolarHBondContact O-NH2 3.04Å | ||
| 330 | S | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -67.3 | 141.2 | -179.8 | -73.8 | 0 | 0 | 0 | 0 | 112.5 | A308 Y378 F379 | A308-S330 PolarHBondContact O-OG 3.01Å; S330-Y378 WeakPolarHBondContact CA-O 3.32Å; S330-F379 WeakPolarHBondContact OG-CB 3.34Å | ||
| 331 | E | 97.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 13.9 Ų | 13.9 | 6% | 0.061 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.3 | -176.3 | -68.9 | 176.9 | -162.3 | 0 | 0 | 110.7 | V296 Y297 K300 F377 Y378 R397 | V296-E331 PolarHBondContact N-OE2 2.77Å; V296-E331 VanDerWaalsContact N-OE2 3.09Å; Y297-E331 WeakPolarHBondContact CA-OE2 3.3Å; Y297-E331 WeakPolarHBondContact CB-OE2 3.43Å; Y297-E331 PolarHBondContact N-OE2 3.09Å; K300-E331 HydrophobicContact CG-CG 4.24Å; E331-F377 CarbonylContact O-C 3.5Å; E331-F377 VanDerWaalsContact O-CA 3.24Å; E331-F377 WeakPolarHBondContact O-CA 3.36Å; E331-Y378 PolarHBondContact N-O 2.88Å; E331-Y378 PolarHBondContact O-N 2.77Å; E331-R397 IonicContact OE1-CZ 3.62Å; E331-R397 IonicContact OE1-NE 3.38Å; E331-R397 PolarHBondContact OE1-NE 2.89Å; E331-R397 IonicContact OE1-NH2 3.34Å; E331-R397 PolarHBondContact OE1-NH2 2.73Å |
| 332 | W | 97.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 13.6 Ų | 13.6 | 3% | 0.027 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 109.4 | -171.8 | -71 | 61.4 | 0 | 0 | 0 | 110.1 | W190 G298 F299 R301 Y307 M334 F335 K376 F377 F409 | W190-W332 HydrophobicContact CZ3-CH2 4.45Å; W190-W332 HydrophobicContact CZ3-CZ3 4.43Å; G298-W332 WeakPolarHBondContact CA-O 3.29Å; F299-W332 PolarHBondContact N-O 3.06Å; F299-W332 WeakPolarHBondContact O-CB 3.46Å; F299-W332 PolarHBondContact O-N 3.32Å; R301-W332 HydrophobicContact CG-CD2 4.35Å; R301-W332 HydrophobicContact CG-CG 4.37Å; R301-W332 HydrophobicContact CG-CZ2 4.34Å; Y307-W332 AromaticContact CD1-CZ2 3.93Å; Y307-W332 HydrophobicContact CD1-CZ2 3.93Å; Y307-W332 HydrophobicContact CE1-CH2 4.23Å; Y307-W332 AromaticContact CE1-CZ2 3.68Å; Y307-W332 HydrophobicContact CE1-CZ2 3.68Å; W332-M334 HydrophobicContact CE3-SD 4.12Å; W332-M334 PolarHBondContact O-N 3.5Å; W332-F335 HydrophobicContact CB-CD2 3.79Å; W332-F335 HydrophobicContact CB-CE2 3.92Å; W332-F335 HydrophobicContact CG-CE2 4.49Å; W332-F335 PolarHBondContact O-N 3Å; W332-K376 HydrophobicContact CE3-CG 4.35Å; W332-K376 VanDerWaalsContact CE3-O 3.32Å; W332-K376 HydrophobicContact CH2-CD 4.39Å; W332-K376 HydrophobicContact CH2-CG 3.99Å; W332-K376 HydrophobicContact CZ3-CG 3.79Å; W332-F377 HydrophobicContact CD2-CB 4.27Å; W332-F377 HydrophobicContact CG-CB 4.19Å; W332-F377 HydrophobicContact CZ2-CD1 4.3Å; W332-F409 HydrophobicContact CZ3-CE1 4.2Å; W332-F409 HydrophobicContact CZ3-CZ 4.13Å |
| 333 | P | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -16.7 | -174.5 | 30.3 | -37.3 | 0 | 0 | 0 | 112.9 | F335 F336 L362 L374 P375 Y378 | P333-F335 PolarHBondContact O-N 3.47Å; P333-F335 VanDerWaalsContact O-N 3.11Å; P333-F336 WeakPolarHBondContact O-CB 3.22Å; P333-F336 PolarHBondContact O-N 3.32Å; P333-L362 HydrophobicContact CB-CB 4.45Å; P333-L362 HydrophobicContact CB-CD1 3.95Å; P333-L374 HydrophobicContact CB-CD1 3.88Å; P333-L374 HydrophobicContact CG-CD1 3.88Å; P333-L374 HydrophobicContact CG-CG 4.07Å; P333-P375 WeakPolarHBondContact CG-O 3.43Å; P333-Y378 HydrophobicContact CG-CD2 4.28Å; P333-Y378 HydrophobicContact CG-CE2 4.27Å |
| 334 | M | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.9 | -26.4 | 177.6 | 74.6 | 172 | -138 | 0 | 0 | 113.6 | W190 W332 F336 A337 Y338 L374 F409 W411 | W190-M334 HydrophobicContact CH2-CE 4.37Å; W332-M334 HydrophobicContact CE3-SD 4.12Å; W332-M334 PolarHBondContact O-N 3.5Å; M334-F336 VanDerWaalsContact C-N 3.3Å; M334-F336 PolarHBondContact O-N 3.16Å; M334-A337 WeakPolarHBondContact O-CA 3.17Å; M334-A337 VanDerWaalsContact O-CB 3.3Å; M334-A337 WeakPolarHBondContact O-CB 3.41Å; M334-A337 PolarHBondContact O-N 3.13Å; M334-Y338 HydrophobicContact CE-CD2 4.45Å; M334-Y338 HydrophobicContact CE-CE2 3.78Å; M334-Y338 WeakPolarHBondContact O-CD2 3.39Å; M334-Y338 PolarHBondContact O-N 3.41Å; M334-L374 HydrophobicContact CB-CD2 4.02Å; M334-F409 HydrophobicContact SD-CE1 3.69Å; M334-F409 HydrophobicContact SD-CZ 4.12Å; M334-W411 HydrophobicContact CE-CH2 4.19Å; M334-W411 HydrophobicContact CE-CZ2 3.76Å |
| 335 | F | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -72.6 | -23.5 | 177.9 | -68.3 | -70.4 | 0 | 0 | 0 | 112.8 | W190 A263 I266 F299 W332 P333 A337 Y338 M339 | W190-F335 HydrophobicContact CH2-CE2 4.25Å; W190-F335 AromaticContact CH2-CZ 3.79Å; W190-F335 HydrophobicContact CH2-CZ 3.79Å; W190-F335 HydrophobicContact CZ2-CE2 4.37Å; W190-F335 AromaticContact CZ2-CZ 3.81Å; W190-F335 HydrophobicContact CZ2-CZ 3.81Å; A263-F335 HydrophobicContact CB-CD1 4.19Å; A263-F335 HydrophobicContact CB-CD2 4.08Å; A263-F335 HydrophobicContact CB-CE1 3.77Å; A263-F335 HydrophobicContact CB-CE2 3.64Å; A263-F335 HydrophobicContact CB-CG 4.33Å; A263-F335 HydrophobicContact CB-CZ 3.46Å; A263-F335 VanDerWaalsContact CB-CZ 3.46Å; A263-F335 VanDerWaalsContact O-CE1 3.25Å; A263-F335 WeakPolarHBondContact O-CE1 3.44Å; I266-F335 HydrophobicContact CB-CD1 4.17Å; I266-F335 HydrophobicContact CB-CE1 4.44Å; I266-F335 HydrophobicContact CD1-CB 4.21Å; I266-F335 HydrophobicContact CD1-CD1 3.72Å; I266-F335 HydrophobicContact CD1-CE1 4.45Å; I266-F335 HydrophobicContact CD1-CG 4.19Å; I266-F335 HydrophobicContact CG1-CD1 4.49Å; I266-F335 HydrophobicContact CG2-CD1 4.4Å; F299-F335 HydrophobicContact CB-CB 3.8Å; F299-F335 HydrophobicContact CB-CD2 3.82Å; F299-F335 HydrophobicContact CB-CG 4.04Å; F299-F335 HydrophobicContact CD2-CB 3.52Å; F299-F335 HydrophobicContact CE2-CB 4.22Å; F299-F335 HydrophobicContact CG-CB 3.73Å; F299-F335 HydrophobicContact CG-CG 4.38Å; W332-F335 HydrophobicContact CB-CD2 3.79Å; W332-F335 HydrophobicContact CB-CE2 3.92Å; W332-F335 HydrophobicContact CG-CE2 4.49Å; W332-F335 PolarHBondContact O-N 3Å; P333-F335 PolarHBondContact O-N 3.47Å; P333-F335 VanDerWaalsContact O-N 3.11Å; F335-A337 VanDerWaalsContact C-N 3.32Å; F335-Y338 HydrophobicContact CD1-CD2 4.03Å; F335-Y338 HydrophobicContact CE1-CD2 4.43Å; F335-Y338 PolarHBondContact O-N 2.99Å; F335-M339 VanDerWaalsContact O-CG 3.31Å; F335-M339 WeakPolarHBondContact O-CG 3.44Å; F335-M339 PolarHBondContact O-N 3.3Å |
| 336 | F | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 164.7 | -64.6 | -35.4 | 0 | 0 | 0 | 110.9 | K294 F299 P333 M334 Y338 M339 I340 Y355 L358 M359 L362 | K294-F336 HydrophobicContact CG-CE1 4.21Å; F299-F336 HydrophobicContact CD2-CD1 4.1Å; F299-F336 AromaticContact CD2-CE1 3.98Å; F299-F336 HydrophobicContact CD2-CE1 3.98Å; F299-F336 AromaticContact CE2-CD1 3.66Å; F299-F336 HydrophobicContact CE2-CD1 3.66Å; F299-F336 AromaticContact CE2-CE1 3.6Å; F299-F336 HydrophobicContact CE2-CE1 3.6Å; P333-F336 WeakPolarHBondContact O-CB 3.22Å; P333-F336 PolarHBondContact O-N 3.32Å; M334-F336 VanDerWaalsContact C-N 3.3Å; M334-F336 PolarHBondContact O-N 3.16Å; F336-Y338 PolarHBondContact O-N 2.81Å; F336-M339 PolarHBondContact O-N 3.16Å; F336-M339 VanDerWaalsContact O-N 3.13Å; F336-I340 VanDerWaalsContact O-CG1 3.28Å; F336-I340 WeakPolarHBondContact O-CG1 3.29Å; F336-I340 PolarHBondContact O-N 3.47Å; F336-Y355 AromaticContact CD1-CD1 3.63Å; F336-Y355 HydrophobicContact CD1-CD1 3.63Å; F336-Y355 HydrophobicContact CD1-CE1 4.03Å; F336-Y355 HydrophobicContact CE1-CD1 4.23Å; F336-Y355 HydrophobicContact CE1-CE1 4.32Å; F336-Y355 HydrophobicContact CG-CD1 4.43Å; F336-L358 HydrophobicContact CD2-CB 4.38Å; F336-L358 HydrophobicContact CE1-CD1 4.34Å; F336-L358 HydrophobicContact CE2-CB 4.18Å; F336-L358 HydrophobicContact CZ-CB 4.37Å; F336-L358 HydrophobicContact CZ-CD1 4.45Å; F336-M359 HydrophobicContact CB-CB 4.09Å; F336-M359 HydrophobicContact CB-CG 4.42Å; F336-M359 HydrophobicContact CB-SD 4.5Å; F336-M359 HydrophobicContact CD2-CB 4.36Å; F336-L362 HydrophobicContact CD2-CD1 3.99Å; F336-L362 HydrophobicContact CE2-CD1 3.77Å |
| 337 | A | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M334 F335 M339 I340 I341 M359 V415 | M334-A337 WeakPolarHBondContact O-CA 3.17Å; M334-A337 VanDerWaalsContact O-CB 3.3Å; M334-A337 WeakPolarHBondContact O-CB 3.41Å; M334-A337 PolarHBondContact O-N 3.13Å; F335-A337 VanDerWaalsContact C-N 3.32Å; A337-M339 PolarHBondContact O-N 2.96Å; A337-I340 WeakPolarHBondContact O-CB 3.43Å; A337-I340 PolarHBondContact O-N 3.37Å; A337-I341 VanDerWaalsContact O-CG1 3.31Å; A337-I341 WeakPolarHBondContact O-CG1 3.4Å; A337-I341 PolarHBondContact O-N 3.01Å; A337-M359 HydrophobicContact CB-SD 3.96Å; A337-V415 HydrophobicContact CB-CG1 3.89Å |
| 338 | Y | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 171.7 | -82.2 | -75.9 | 0 | 0 | 0 | 112.7 | Y59 I266 P267 W271 M334 F335 F336 I340 I341 E342 W411 V415 | Y59-Y338 WeakPolarHBondContact CE1-OH 3.25Å; Y59-Y338 PolarHBondContact OH-OH 3.36Å; I266-Y338 HydrophobicContact CG2-CG 4.3Å; P267-Y338 HydrophobicContact CB-CD1 4.31Å; P267-Y338 HydrophobicContact CB-CE1 3.72Å; W271-Y338 HydrophobicContact CE3-CD1 4.11Å; W271-Y338 AromaticContact CE3-CE1 3.86Å; W271-Y338 HydrophobicContact CE3-CE1 3.86Å; W271-Y338 HydrophobicContact CZ3-CD1 4.42Å; W271-Y338 AromaticContact CZ3-CE1 3.87Å; W271-Y338 HydrophobicContact CZ3-CE1 3.87Å; M334-Y338 HydrophobicContact CE-CD2 4.45Å; M334-Y338 HydrophobicContact CE-CE2 3.78Å; M334-Y338 WeakPolarHBondContact O-CD2 3.39Å; M334-Y338 PolarHBondContact O-N 3.41Å; F335-Y338 HydrophobicContact CD1-CD2 4.03Å; F335-Y338 HydrophobicContact CE1-CD2 4.43Å; F335-Y338 PolarHBondContact O-N 2.99Å; F336-Y338 PolarHBondContact O-N 2.81Å; Y338-I340 VanDerWaalsContact C-N 3.34Å; Y338-I341 PolarHBondContact O-N 2.94Å; Y338-E342 PolarHBondContact O-N 2.97Å; Y338-W411 PolarHBondContact OH-NE1 3.48Å; Y338-V415 HydrophobicContact CD1-CG1 4.23Å; Y338-V415 HydrophobicContact CD2-CG1 3.9Å; Y338-V415 HydrophobicContact CE1-CG1 4.19Å; Y338-V415 HydrophobicContact CE1-CG2 4.44Å; Y338-V415 HydrophobicContact CE2-CB 4.45Å; Y338-V415 HydrophobicContact CE2-CG1 3.85Å; Y338-V415 HydrophobicContact CE2-CG2 4.01Å; Y338-V415 HydrophobicContact CG-CG1 4.09Å |
| 339 | M | 97.8 | Very high | 95.5 | Very high | 19 Ų | 19 | 19.5 Ų | 19.5 | 9% | 0.094 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66 | -36.9 | 177.2 | -67.1 | -53.1 | -66.4 | 0 | 0 | 111.9 | I266 V290 F299 F335 F336 A337 E342 N343 Y355 | I266-M339 HydrophobicContact CG2-SD 4.38Å; V290-M339 HydrophobicContact CG2-CE 4.46Å; F299-M339 HydrophobicContact CE2-CG 4.5Å; F299-M339 HydrophobicContact CZ-CG 4.33Å; F335-M339 VanDerWaalsContact O-CG 3.31Å; F335-M339 WeakPolarHBondContact O-CG 3.44Å; F335-M339 PolarHBondContact O-N 3.3Å; F336-M339 PolarHBondContact O-N 3.16Å; F336-M339 VanDerWaalsContact O-N 3.13Å; A337-M339 PolarHBondContact O-N 2.96Å; M339-E342 PolarHBondContact O-N 3.41Å; M339-N343 WeakPolarHBondContact O-CB 3.03Å; M339-N343 PolarHBondContact O-N 3.32Å; M339-N343 PolarHBondContact O-ND2 3.17Å; M339-Y355 HydrophobicContact CB-CD1 3.9Å; M339-Y355 HydrophobicContact CB-CD2 3.72Å; M339-Y355 HydrophobicContact CB-CE1 3.97Å; M339-Y355 HydrophobicContact CB-CE2 3.82Å; M339-Y355 HydrophobicContact CB-CG 3.77Å; M339-Y355 HydrophobicContact CE-CE2 4.05Å; M339-Y355 HydrophobicContact CG-CD1 4.39Å; M339-Y355 HydrophobicContact CG-CE1 4.03Å; M339-Y355 HydrophobicContact CG-CE2 4.35Å |
| 340 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -51.5 | 171.9 | -67.4 | 166.7 | 0 | 0 | 0 | 110.1 | F336 A337 Y338 E342 N343 C344 A352 D356 M359 I423 | F336-I340 VanDerWaalsContact O-CG1 3.28Å; F336-I340 WeakPolarHBondContact O-CG1 3.29Å; F336-I340 PolarHBondContact O-N 3.47Å; A337-I340 WeakPolarHBondContact O-CB 3.43Å; A337-I340 PolarHBondContact O-N 3.37Å; Y338-I340 VanDerWaalsContact C-N 3.34Å; I340-E342 VanDerWaalsContact C-N 3.34Å; I340-E342 PolarHBondContact O-N 3.42Å; I340-N343 PolarHBondContact O-N 2.95Å; I340-C344 WeakPolarHBondContact O-CB 3.49Å; I340-C344 PolarHBondContact O-N 3.12Å; I340-C344 PolarHBondContact O-SG 2.62Å; I340-A352 HydrophobicContact CG2-CB 4.41Å; I340-D356 HydrophobicContact CD1-CB 3.94Å; I340-M359 HydrophobicContact CD1-CE 3.42Å; I340-M359 VanDerWaalsContact CD1-CE 3.42Å; I340-M359 HydrophobicContact CD1-SD 4.06Å; I340-I423 HydrophobicContact CD1-CD1 4.24Å; I340-I423 HydrophobicContact CG1-CD1 4.48Å; I340-I423 HydrophobicContact CG2-CD1 3.4Å; I340-I423 HydrophobicContact CG2-CG1 3.64Å |
| 341 | I | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.4 | -50 | 179.6 | -67.1 | 165.7 | 0 | 0 | 0 | 110.1 | W271 A337 Y338 N343 C344 L345 V415 I418 L422 L432 | W271-I341 HydrophobicContact CB-CG2 3.8Å; W271-I341 HydrophobicContact CD2-CG2 3.94Å; W271-I341 HydrophobicContact CE3-CD1 3.81Å; W271-I341 HydrophobicContact CE3-CG2 4.01Å; W271-I341 HydrophobicContact CG-CG2 3.86Å; W271-I341 HydrophobicContact CZ3-CD1 3.76Å; A337-I341 VanDerWaalsContact O-CG1 3.31Å; A337-I341 WeakPolarHBondContact O-CG1 3.4Å; A337-I341 PolarHBondContact O-N 3.01Å; Y338-I341 PolarHBondContact O-N 2.94Å; I341-N343 PolarHBondContact O-N 3.04Å; I341-C344 PolarHBondContact O-N 2.87Å; I341-L345 HydrophobicContact CG2-CD1 3.7Å; I341-L345 HydrophobicContact CG2-CG 4.16Å; I341-L345 WeakPolarHBondContact O-CB 3.28Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.43Å; I341-L345 PolarHBondContact O-N 3.4Å; I341-V415 HydrophobicContact CD1-CG1 3.66Å; I341-I418 HydrophobicContact CD1-CB 4.32Å; I341-I418 HydrophobicContact CD1-CG2 3.91Å; I341-I418 HydrophobicContact CG1-CG2 4.22Å; I341-L422 HydrophobicContact CB-CD1 4.09Å; I341-L422 HydrophobicContact CG1-CD1 3.89Å; I341-L422 HydrophobicContact CG2-CD1 3.88Å; I341-L432 HydrophobicContact CG2-CD2 4.23Å |
| 342 | E | 95.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.033 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | -179.6 | 176.4 | 61.9 | -172.3 | 0 | 0 | 112.4 | C270 Y274 R282 Y338 M339 I340 L345 N346 | C270-E342 HydrophobicContact CB-CB 4.15Å; C270-E342 HydrophobicContact CB-CG 4.15Å; C270-E342 WeakPolarHBondContact CB-OE2 3.49Å; Y274-E342 VanDerWaalsContact CE1-OE2 3.22Å; Y274-E342 WeakPolarHBondContact CE1-OE2 3.5Å; Y274-E342 PolarHBondContact OH-OE2 3.31Å; R282-E342 IonicContact CZ-OE1 3.79Å; R282-E342 IonicContact NH1-OE1 3.63Å; R282-E342 PolarHBondContact NH1-OE1 3.41Å; R282-E342 IonicContact NH2-OE1 2.82Å; R282-E342 PolarHBondContact NH2-OE1 2.86Å; R282-E342 VanDerWaalsContact NH2-OE1 3.1Å; Y338-E342 PolarHBondContact O-N 2.97Å; M339-E342 PolarHBondContact O-N 3.41Å; I340-E342 VanDerWaalsContact C-N 3.34Å; I340-E342 PolarHBondContact O-N 3.42Å; E342-L345 PolarHBondContact O-N 3.32Å; E342-N346 VanDerWaalsContact CD-ND2 3.28Å; E342-N346 WeakPolarHBondContact O-CB 3.33Å; E342-N346 PolarHBondContact O-N 3.04Å; E342-N346 PolarHBondContact O-ND2 3.39Å; E342-N346 PolarHBondContact OE1-ND2 3.09Å |
| 343 | N | 95.3 | Very high | 95.5 | Very high | 16 Ų | 16 | 33 Ų | 33 | 9% | 0.086 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.2 | -39.6 | -179.8 | -74.1 | -66.9 | 0 | 0 | 0 | 111.6 | M339 I340 I341 L345 N346 G347 D348 K351 A352 | M339-N343 WeakPolarHBondContact O-CB 3.03Å; M339-N343 PolarHBondContact O-N 3.32Å; M339-N343 PolarHBondContact O-ND2 3.17Å; I340-N343 PolarHBondContact O-N 2.95Å; I341-N343 PolarHBondContact O-N 3.04Å; N343-L345 PolarHBondContact O-N 3.22Å; N343-N346 PolarHBondContact O-N 2.79Å; N343-G347 PolarHBondContact O-N 3.01Å; N343-G347 VanDerWaalsContact O-N 3.12Å; N343-D348 HydrophobicContact CB-CB 4.38Å; N343-D348 WeakPolarHBondContact CB-O 3.47Å; N343-D348 PolarHBondContact O-N 3.38Å; N343-K351 HydrophobicContact CB-CB 4.25Å; N343-A352 HydrophobicContact CB-CB 3.87Å |
| 344 | C | 94.6 | Very high | 95.5 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 171.9 | -76 | 0 | 0 | 0 | 0 | 112.4 | I340 I341 N346 G347 A352 L422 | I340-C344 WeakPolarHBondContact O-CB 3.49Å; I340-C344 PolarHBondContact O-N 3.12Å; I340-C344 PolarHBondContact O-SG 2.62Å; I341-C344 PolarHBondContact O-N 2.87Å; C344-N346 VanDerWaalsContact C-N 3.27Å; C344-N346 PolarHBondContact O-N 2.97Å; C344-G347 PolarHBondContact O-N 2.98Å; C344-G347 VanDerWaalsContact O-N 3.13Å; C344-A352 VanDerWaalsContact SG-CB 3.57Å; C344-L422 HydrophobicContact CB-CB 3.97Å; C344-L422 HydrophobicContact CB-CD1 4.13Å; C344-L422 HydrophobicContact CB-CG 4.5Å |
| 345 | L | 92.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -28 | 179.5 | -69.4 | 178.2 | 0 | 0 | 0 | 112.9 | W271 Y274 I341 E342 N343 P429 R438 | W271-L345 HydrophobicContact CB-CD1 3.69Å; W271-L345 HydrophobicContact CG-CD1 4.02Å; Y274-L345 VanDerWaalsContact OH-CD1 3.24Å; Y274-L345 WeakPolarHBondContact OH-CD1 3.41Å; I341-L345 HydrophobicContact CG2-CD1 3.7Å; I341-L345 HydrophobicContact CG2-CG 4.16Å; I341-L345 WeakPolarHBondContact O-CB 3.28Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.43Å; I341-L345 PolarHBondContact O-N 3.4Å; E342-L345 PolarHBondContact O-N 3.32Å; N343-L345 PolarHBondContact O-N 3.22Å; L345-P429 HydrophobicContact CD2-CB 3.54Å; L345-P429 HydrophobicContact CD2-CG 4.1Å; L345-R438 WeakPolarHBondContact O-CD 3.49Å |
| 346 | N | 88.6 | Confident | 95.5 | Very high | 55 Ų | 55 | 39.2 Ų | 39.2 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -86.4 | -4.1 | 174.5 | -70.2 | -38.6 | 0 | 0 | 0 | 114 | E342 N343 C344 D348 S440 | E342-N346 VanDerWaalsContact CD-ND2 3.28Å; E342-N346 WeakPolarHBondContact O-CB 3.33Å; E342-N346 PolarHBondContact O-N 3.04Å; E342-N346 PolarHBondContact O-ND2 3.39Å; E342-N346 PolarHBondContact OE1-ND2 3.09Å; N343-N346 PolarHBondContact O-N 2.79Å; C344-N346 VanDerWaalsContact C-N 3.27Å; C344-N346 PolarHBondContact O-N 2.97Å; N346-D348 VanDerWaalsContact C-N 3.32Å; N346-S440 PolarHBondContact OD1-OG 3.2Å; N346-S440 VanDerWaalsContact OD1-OG 3.13Å |
| 347 | G | 88.3 | Confident | 95.4 | Very high | 64 Ų | 64 | 45.8 Ų | 45.8 | 66% | 0.66 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 6.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N343 C344 R349 | N343-G347 PolarHBondContact O-N 3.01Å; N343-G347 VanDerWaalsContact O-N 3.12Å; C344-G347 PolarHBondContact O-N 2.98Å; C344-G347 VanDerWaalsContact O-N 3.13Å; G347-R349 PolarHBondContact O-N 3.19Å; G347-R349 VanDerWaalsContact O-N 3.14Å |
| 348 | D | 92.3 | Very high | 95.4 | Very high | 45 Ų | 45 | 49.3 Ų | 49.3 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | trans | -86.9 | 74.8 | 176.5 | -167 | -19.7 | 0 | 0 | 0 | 110.1 | N343 N346 E350 K351 A352 | N343-D348 HydrophobicContact CB-CB 4.38Å; N343-D348 WeakPolarHBondContact CB-O 3.47Å; N343-D348 PolarHBondContact O-N 3.38Å; N346-D348 VanDerWaalsContact C-N 3.32Å; D348-E350 VanDerWaalsContact C-N 3.27Å; D348-E350 PolarHBondContact O-N 2.79Å; D348-K351 PolarHBondContact OD1-N 3.49Å; D348-K351 VanDerWaalsContact OD1-N 3.17Å; D348-K351 VanDerWaalsContact OD2-CD 3.28Å; D348-K351 WeakPolarHBondContact OD2-CD 3.44Å; D348-K351 WeakPolarHBondContact OD2-CE 3.4Å; D348-K351 WeakPolarHBondContact OD2-CG 3.09Å; D348-K351 IonicContact OD2-NZ 3.59Å; D348-K351 PolarHBondContact OD2-NZ 2.93Å; D348-A352 PolarHBondContact O-N 3.09Å | ||
| 349 | R | 92.1 | Very high | 95.3 | Very high | 147 Ų | 147 | 49.3 Ų | 49.3 | 56% | 0.555 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.6 | -29.4 | -175.7 | -169.1 | 171.9 | -177.2 | 138.4 | 2.1 | 112.7 | G347 A352 L353 I423 | G347-R349 PolarHBondContact O-N 3.19Å; G347-R349 VanDerWaalsContact O-N 3.14Å; R349-A352 PolarHBondContact O-N 2.76Å; R349-L353 HydrophobicContact CG-CD1 4.41Å; R349-L353 VanDerWaalsContact O-CG 3.31Å; R349-L353 WeakPolarHBondContact O-CG 3.47Å; R349-L353 PolarHBondContact O-N 2.77Å; R349-I423 PolarHBondContact NH2-O 2.7Å |
| 350 | E | 95.8 | Very high | 95.2 | Very high | 145 Ų | 145 | 50 Ų | 50 | 68% | 0.678 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.7 | -52.5 | -179.9 | -172.4 | 174.1 | -169.7 | 0 | 0 | 110.7 | D348 A352 L353 E354 | D348-E350 VanDerWaalsContact C-N 3.27Å; D348-E350 PolarHBondContact O-N 2.79Å; E350-A352 VanDerWaalsContact C-N 3.27Å; E350-A352 PolarHBondContact O-N 3.13Å; E350-L353 WeakPolarHBondContact O-CB 3.42Å; E350-L353 PolarHBondContact O-N 3.06Å; E350-E354 PolarHBondContact O-N 2.76Å |
| 351 | K | 94.8 | Very high | 95.1 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 174.8 | -71.8 | -165.4 | -167 | 113.9 | 0 | 113.1 | N343 D348 L353 E354 Y355 | N343-K351 HydrophobicContact CB-CB 4.25Å; D348-K351 PolarHBondContact OD1-N 3.49Å; D348-K351 VanDerWaalsContact OD1-N 3.17Å; D348-K351 VanDerWaalsContact OD2-CD 3.28Å; D348-K351 WeakPolarHBondContact OD2-CD 3.44Å; D348-K351 WeakPolarHBondContact OD2-CE 3.4Å; D348-K351 WeakPolarHBondContact OD2-CG 3.09Å; D348-K351 IonicContact OD2-NZ 3.59Å; D348-K351 PolarHBondContact OD2-NZ 2.93Å; K351-L353 VanDerWaalsContact C-N 3.28Å; K351-L353 PolarHBondContact O-N 3.03Å; K351-E354 WeakPolarHBondContact O-CB 3.38Å; K351-E354 PolarHBondContact O-N 3.1Å; K351-Y355 WeakPolarHBondContact O-CD2 3.35Å; K351-Y355 PolarHBondContact O-N 2.73Å; K351-Y355 VanDerWaalsContact O-N 3.11Å |
| 352 | A | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I340 N343 C344 D348 R349 E350 Y355 D356 | I340-A352 HydrophobicContact CG2-CB 4.41Å; N343-A352 HydrophobicContact CB-CB 3.87Å; C344-A352 VanDerWaalsContact SG-CB 3.57Å; D348-A352 PolarHBondContact O-N 3.09Å; R349-A352 PolarHBondContact O-N 2.76Å; E350-A352 VanDerWaalsContact C-N 3.27Å; E350-A352 PolarHBondContact O-N 3.13Å; A352-Y355 PolarHBondContact O-N 3.06Å; A352-D356 PolarHBondContact O-N 3.27Å |
| 353 | L | 97.7 | Very high | 95.1 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 175.9 | -69.4 | 169.7 | 0 | 0 | 0 | 112.6 | R349 E350 K351 D356 Q357 I423 | R349-L353 HydrophobicContact CG-CD1 4.41Å; R349-L353 VanDerWaalsContact O-CG 3.31Å; R349-L353 WeakPolarHBondContact O-CG 3.47Å; R349-L353 PolarHBondContact O-N 2.77Å; E350-L353 WeakPolarHBondContact O-CB 3.42Å; E350-L353 PolarHBondContact O-N 3.06Å; K351-L353 VanDerWaalsContact C-N 3.28Å; K351-L353 PolarHBondContact O-N 3.03Å; L353-D356 WeakPolarHBondContact O-CB 3.38Å; L353-D356 PolarHBondContact O-N 3.13Å; L353-Q357 VanDerWaalsContact O-CG 3.27Å; L353-Q357 WeakPolarHBondContact O-CG 3.48Å; L353-Q357 PolarHBondContact O-N 3.43Å; L353-I423 HydrophobicContact CD2-CG2 4.17Å |
| 354 | E | 97.3 | Very high | 95 | Very high | 97 Ų | 97 | 56.7 Ų | 56.7 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 173.2 | -68.2 | 177.1 | -169.3 | 0 | 0 | 111.7 | E350 K351 D356 Q357 L358 | E350-E354 PolarHBondContact O-N 2.76Å; K351-E354 WeakPolarHBondContact O-CB 3.38Å; K351-E354 PolarHBondContact O-N 3.1Å; E354-D356 VanDerWaalsContact C-N 3.31Å; E354-D356 PolarHBondContact O-N 3.26Å; E354-Q357 WeakPolarHBondContact O-CB 3.49Å; E354-Q357 PolarHBondContact O-N 3.17Å; E354-L358 WeakPolarHBondContact O-CG 3.34Å; E354-L358 PolarHBondContact O-N 2.73Å; E354-L358 VanDerWaalsContact O-N 3.14Å |
| 355 | Y | 97.7 | Very high | 94.9 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 9% | 0.09 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -33.7 | 176.4 | -79.3 | -70.4 | 0 | 0 | 0 | 112.4 | F336 M339 K351 A352 L358 M359 | F336-Y355 AromaticContact CD1-CD1 3.63Å; F336-Y355 HydrophobicContact CD1-CD1 3.63Å; F336-Y355 HydrophobicContact CD1-CE1 4.03Å; F336-Y355 HydrophobicContact CE1-CD1 4.23Å; F336-Y355 HydrophobicContact CE1-CE1 4.32Å; F336-Y355 HydrophobicContact CG-CD1 4.43Å; M339-Y355 HydrophobicContact CB-CD1 3.9Å; M339-Y355 HydrophobicContact CB-CD2 3.72Å; M339-Y355 HydrophobicContact CB-CE1 3.97Å; M339-Y355 HydrophobicContact CB-CE2 3.82Å; M339-Y355 HydrophobicContact CB-CG 3.77Å; M339-Y355 HydrophobicContact CE-CE2 4.05Å; M339-Y355 HydrophobicContact CG-CD1 4.39Å; M339-Y355 HydrophobicContact CG-CE1 4.03Å; M339-Y355 HydrophobicContact CG-CE2 4.35Å; K351-Y355 WeakPolarHBondContact O-CD2 3.35Å; K351-Y355 PolarHBondContact O-N 2.73Å; K351-Y355 VanDerWaalsContact O-N 3.11Å; A352-Y355 PolarHBondContact O-N 3.06Å; Y355-L358 HydrophobicContact CD1-CD1 4.31Å; Y355-L358 PolarHBondContact O-N 3.39Å; Y355-M359 WeakPolarHBondContact O-CB 3.41Å; Y355-M359 PolarHBondContact O-N 3.42Å |
| 356 | D | 97.4 | Very high | 94.6 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 172.2 | -166.9 | 62.4 | 0 | 0 | 0 | 110.6 | R6 I340 A352 L353 E354 L358 M359 Q360 Q420 I423 | R6-D356 IonicContact NH2-OD2 3.47Å; I340-D356 HydrophobicContact CD1-CB 3.94Å; A352-D356 PolarHBondContact O-N 3.27Å; L353-D356 WeakPolarHBondContact O-CB 3.38Å; L353-D356 PolarHBondContact O-N 3.13Å; E354-D356 VanDerWaalsContact C-N 3.31Å; E354-D356 PolarHBondContact O-N 3.26Å; D356-L358 PolarHBondContact O-N 2.75Å; D356-M359 CarbonylContact O-C 3.5Å; D356-M359 WeakPolarHBondContact O-CA 3.41Å; D356-M359 WeakPolarHBondContact O-CB 3.22Å; D356-M359 PolarHBondContact O-N 2.88Å; D356-M359 WeakPolarHBondContact OD1-CE 3.25Å; D356-Q360 VanDerWaalsContact CG-NE2 3.32Å; D356-Q360 VanDerWaalsContact O-CG 3.27Å; D356-Q360 WeakPolarHBondContact O-CG 3.19Å; D356-Q360 PolarHBondContact O-N 3.1Å; D356-Q360 PolarHBondContact OD1-NE2 3.03Å; D356-Q360 PolarHBondContact OD2-NE2 3.25Å; D356-Q420 PolarHBondContact OD1-NE2 3.02Å; D356-I423 HydrophobicContact CB-CD1 3.58Å |
| 357 | Q | 97.6 | Very high | 94.4 | Very high | 140 Ų | 140 | 67.3 Ų | 67.3 | 65% | 0.654 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.1 | -36.8 | 177.3 | -72.8 | 170.2 | 6.3 | 0 | 0 | 113 | L353 E354 P361 | L353-Q357 VanDerWaalsContact O-CG 3.27Å; L353-Q357 WeakPolarHBondContact O-CG 3.48Å; L353-Q357 PolarHBondContact O-N 3.43Å; E354-Q357 WeakPolarHBondContact O-CB 3.49Å; E354-Q357 PolarHBondContact O-N 3.17Å; Q357-P361 WeakPolarHBondContact O-CD 3.17Å |
| 358 | L | 96.9 | Very high | 94.2 | Very high | 74 Ų | 74 | 68.9 Ų | 68.9 | 39% | 0.387 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.5 | -34.7 | 173.4 | -66.8 | 175.5 | 0 | 0 | 0 | 112.8 | F336 E354 Y355 D356 | F336-L358 HydrophobicContact CD2-CB 4.38Å; F336-L358 HydrophobicContact CE1-CD1 4.34Å; F336-L358 HydrophobicContact CE2-CB 4.18Å; F336-L358 HydrophobicContact CZ-CB 4.37Å; F336-L358 HydrophobicContact CZ-CD1 4.45Å; E354-L358 WeakPolarHBondContact O-CG 3.34Å; E354-L358 PolarHBondContact O-N 2.73Å; E354-L358 VanDerWaalsContact O-N 3.14Å; Y355-L358 HydrophobicContact CD1-CD1 4.31Å; Y355-L358 PolarHBondContact O-N 3.39Å; D356-L358 PolarHBondContact O-N 2.75Å |
| 359 | M | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -78.9 | -34.1 | -177.2 | -173.6 | 179.9 | 61.7 | 0 | 0 | 112.9 | F336 A337 I340 Y355 D356 L362 L374 Y416 Q420 | F336-M359 HydrophobicContact CB-CB 4.09Å; F336-M359 HydrophobicContact CB-CG 4.42Å; F336-M359 HydrophobicContact CB-SD 4.5Å; F336-M359 HydrophobicContact CD2-CB 4.36Å; A337-M359 HydrophobicContact CB-SD 3.96Å; I340-M359 HydrophobicContact CD1-CE 3.42Å; I340-M359 VanDerWaalsContact CD1-CE 3.42Å; I340-M359 HydrophobicContact CD1-SD 4.06Å; Y355-M359 WeakPolarHBondContact O-CB 3.41Å; Y355-M359 PolarHBondContact O-N 3.42Å; D356-M359 CarbonylContact O-C 3.5Å; D356-M359 WeakPolarHBondContact O-CA 3.41Å; D356-M359 WeakPolarHBondContact O-CB 3.22Å; D356-M359 PolarHBondContact O-N 2.88Å; D356-M359 WeakPolarHBondContact OD1-CE 3.25Å; M359-L362 WeakPolarHBondContact O-CA 3.32Å; M359-L362 VanDerWaalsContact O-CB 3.3Å; M359-L362 WeakPolarHBondContact O-CB 3.41Å; M359-L362 PolarHBondContact O-N 3.36Å; M359-L374 HydrophobicContact CG-CD1 4.08Å; M359-L374 HydrophobicContact SD-CD1 4.34Å; M359-Y416 HydrophobicContact CE-CD2 3.57Å; M359-Y416 HydrophobicContact CE-CE2 3.61Å; M359-Y416 HydrophobicContact SD-CD2 3.78Å; M359-Y416 HydrophobicContact SD-CE2 4.3Å; M359-Q420 VanDerWaalsContact CE-NE2 3.33Å |
| 360 | Q | 95.9 | Very high | 93.8 | Very high | 33 Ų | 33 | 65 Ų | 65 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -57.3 | -43.8 | -173.4 | -67.8 | -49.3 | -46.1 | 0 | 0 | 115.3 | D356 L362 L363 | D356-Q360 VanDerWaalsContact CG-NE2 3.32Å; D356-Q360 VanDerWaalsContact O-CG 3.27Å; D356-Q360 WeakPolarHBondContact O-CG 3.19Å; D356-Q360 PolarHBondContact O-N 3.1Å; D356-Q360 PolarHBondContact OD1-NE2 3.03Å; D356-Q360 PolarHBondContact OD2-NE2 3.25Å; Q360-L362 PolarHBondContact O-N 3.46Å; Q360-L362 VanDerWaalsContact O-N 3.17Å; Q360-L363 PolarHBondContact O-N 3.16Å |
| 361 | P | 96.1 | Very high | 93.7 | Very high | 103 Ų | 103 | 60 Ų | 60 | 67% | 0.669 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -65.1 | -16 | 176.4 | -21.1 | 33.9 | 0 | 0 | 0 | 113.9 | Q357 | Q357-P361 WeakPolarHBondContact O-CD 3.17Š|
| 362 | L | 96.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -92.1 | -4.3 | -177.5 | -50.4 | 177.1 | 0 | 0 | 0 | 112.7 | Y297 P333 F336 M359 Q360 P375 Y378 | Y297-L362 HydrophobicContact CD1-CD2 3.56Å; Y297-L362 HydrophobicContact CE1-CD2 4.37Å; Y297-L362 HydrophobicContact CG-CD2 4.16Å; Y297-L362 WeakPolarHBondContact O-CD1 3.37Å; P333-L362 HydrophobicContact CB-CB 4.45Å; P333-L362 HydrophobicContact CB-CD1 3.95Å; F336-L362 HydrophobicContact CD2-CD1 3.99Å; F336-L362 HydrophobicContact CE2-CD1 3.77Å; M359-L362 WeakPolarHBondContact O-CA 3.32Å; M359-L362 VanDerWaalsContact O-CB 3.3Å; M359-L362 WeakPolarHBondContact O-CB 3.41Å; M359-L362 PolarHBondContact O-N 3.36Å; Q360-L362 PolarHBondContact O-N 3.46Å; Q360-L362 VanDerWaalsContact O-N 3.17Å; L362-P375 WeakPolarHBondContact O-CD 3.41Å; L362-P375 WeakPolarHBondContact O-CG 3.48Å; L362-Y378 WeakPolarHBondContact CA-OH 3.28Å; L362-Y378 HydrophobicContact CB-CE2 3.95Å; L362-Y378 HydrophobicContact CD2-CE2 4.29Å; L362-Y378 PolarHBondContact O-OH 2.67Å |
| 363 | L | 96.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 12% | 0.12 | 32% | 0.317 | C | S | . | . | trans | -75.8 | 144 | 173.8 | -61.8 | 178.8 | 0 | 0 | 0 | 110.3 | Q360 H372 L374 Y416 | Q360-L363 PolarHBondContact O-N 3.16Å; L363-H372 HydrophobicContact CB-CB 4.24Å; L363-H372 HydrophobicContact CD1-CB 4.24Å; L363-L374 HydrophobicContact CD2-CB 4.18Å; L363-L374 HydrophobicContact CD2-CD1 3.71Å; L363-Y416 HydrophobicContact CD1-CE2 3.95Å; L363-Y416 VanDerWaalsContact CD1-OH 3.27Å; L363-Y416 WeakPolarHBondContact CD1-OH 3.16Å; L363-Y416 HydrophobicContact CD2-CD2 4.25Å; L363-Y416 HydrophobicContact CD2-CE1 4.49Å; L363-Y416 HydrophobicContact CD2-CE2 3.81Å; L363-Y416 HydrophobicContact CG-CE2 4.49Å | ||
| 364 | V | 94.5 | Very high | 93.5 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 17% | 0.17 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -111.1 | 142.6 | 175.4 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | P366 H372 W373 P375 F401 | V364-P366 WeakPolarHBondContact O-CD 3.49Å; V364-H372 WeakPolarHBondContact O-CA 3.23Å; V364-W373 HydrophobicContact CG2-CB 3.98Å; V364-W373 WeakPolarHBondContact CG2-O 3.38Å; V364-W373 PolarHBondContact N-O 3.1Å; V364-W373 PolarHBondContact O-N 3.49Å; V364-P375 HydrophobicContact CG1-CG 3.81Å; V364-P375 HydrophobicContact CG2-CG 4.07Å; V364-F401 HydrophobicContact CB-CG 4.46Å; V364-F401 HydrophobicContact CG1-CB 4.46Å; V364-F401 HydrophobicContact CG2-CB 3.85Å; V364-F401 HydrophobicContact CG2-CD1 4.07Å; V364-F401 HydrophobicContact CG2-CD2 3.33Å; V364-F401 HydrophobicContact CG2-CE2 3.9Å; V364-F401 HydrophobicContact CG2-CG 3.46Å; V364-F401 VanDerWaalsContact CG2-CG 3.46Å |
| 365 | H | 91.4 | Very high | 93.4 | Very high | 100 Ų | 100 | 51.6 Ų | 51.6 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | trans | -118.1 | 89.5 | 176.3 | -164.5 | 47.3 | 0 | 0 | 0 | 110 | E369 H372 | H365-E369 PolarHBondContact CE1-O 3.24Å; H365-H372 AromaticContact CG-CD2 3.95Å; H365-H372 AromaticContact CG-NE2 3.96Å; H365-H372 AromaticContact ND1-CD2 3.96Å | ||
| 366 | P | 86 | Confident | 93.3 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 13% | 0.13 | 28% | 0.281 | C | S | . | . | trans | -67.4 | 136.7 | 178 | -13.4 | 29 | 0 | 0 | 0 | 109.6 | V364 S368 E369 F401 | V364-P366 WeakPolarHBondContact O-CD 3.49Å; P366-S368 PolarHBondContact O-N 3.23Å; P366-S368 VanDerWaalsContact O-N 3.08Å; P366-E369 HydrophobicContact CB-CB 4.19Å; P366-E369 HydrophobicContact CB-CG 3.93Å; P366-E369 HydrophobicContact CG-CB 4.19Å; P366-E369 HydrophobicContact CG-CG 3.96Å; P366-E369 PolarHBondContact O-N 3.5Å; P366-F401 HydrophobicContact CB-CE1 3.79Å; P366-F401 HydrophobicContact CB-CZ 4.07Å; P366-F401 HydrophobicContact CG-CD1 4.12Å; P366-F401 HydrophobicContact CG-CE1 3.18Å; P366-F401 HydrophobicContact CG-CE2 4Å; P366-F401 HydrophobicContact CG-CZ 3.12Å | ||
| 367 | I | 85.7 | Confident | 93.2 | Very high | 183 Ų | 183 | 51.5 Ų | 51.5 | 94% | 0.938 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.2 | -179.9 | -62.4 | 167.5 | 0 | 0 | 0 | 111.7 | E369 | I367-E369 VanDerWaalsContact C-N 3.28Å; I367-E369 PolarHBondContact O-N 3.02Å |
| 368 | S | 83.7 | Confident | 93.2 | Very high | 98 Ų | 98 | 45.6 Ų | 45.6 | 69% | 0.685 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -4.3 | 179.8 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | P366 | P366-S368 PolarHBondContact O-N 3.23Å; P366-S368 VanDerWaalsContact O-N 3.08Å |
| 369 | E | 86.5 | Confident | 93.1 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | trans | -123.8 | 137 | -171.7 | -62.1 | -78.1 | -174.1 | 0 | 0 | 110.3 | R31 H365 P366 I367 Y371 R408 | R31-E369 IonicContact CZ-OE1 3.14Å; R31-E369 IonicContact CZ-OE2 3.41Å; R31-E369 IonicContact NH1-OE1 3.69Å; R31-E369 IonicContact NH1-OE2 2.91Å; R31-E369 PolarHBondContact NH1-OE2 3.09Å; R31-E369 IonicContact NH2-OE1 3.67Å; R31-E369 PolarHBondContact NH2-OE1 2.96Å; R31-E369 IonicContact NH2-OE2 3.46Å; R31-E369 PolarHBondContact NH2-OE2 3.49Å; H365-E369 PolarHBondContact CE1-O 3.24Å; P366-E369 HydrophobicContact CB-CB 4.19Å; P366-E369 HydrophobicContact CB-CG 3.93Å; P366-E369 HydrophobicContact CG-CB 4.19Å; P366-E369 HydrophobicContact CG-CG 3.96Å; P366-E369 PolarHBondContact O-N 3.5Å; I367-E369 VanDerWaalsContact C-N 3.28Å; I367-E369 PolarHBondContact O-N 3.02Å; E369-Y371 PolarHBondContact O-N 3.01Å; E369-R408 IonicContact OE1-CZ 3.85Å; E369-R408 IonicContact OE1-NE 2.79Å; E369-R408 PolarHBondContact OE1-NE 3.08Å; E369-R408 VanDerWaalsContact OE1-NE 3.14Å; E369-R408 IonicContact OE1-NH2 3.21Å; E369-R408 PolarHBondContact OE1-NH2 3.15Å | ||
| 370 | S | 88.9 | Confident | 93.1 | Very high | 90 Ų | 90 | 43.2 Ų | 43.2 | 63% | 0.629 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -73.5 | -15.5 | -178.6 | -50.6 | 0 | 0 | 0 | 0 | 114 | ||
| 371 | Y | 93.3 | Very high | 93 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -134.5 | 159.4 | -170.9 | -56.8 | -68.3 | 0 | 0 | 0 | 111.7 | F20 R23 V24 N27 Q28 E369 | F20-Y371 HydrophobicContact CD2-CE1 4.49Å; F20-Y371 HydrophobicContact CE2-CD1 4.27Å; F20-Y371 AromaticContact CE2-CE1 3.83Å; F20-Y371 HydrophobicContact CE2-CE1 3.83Å; F20-Y371 HydrophobicContact CZ-CD1 4.4Å; F20-Y371 HydrophobicContact CZ-CE1 4.36Å; R23-Y371 VanDerWaalsContact CB-OH 3.26Å; R23-Y371 WeakPolarHBondContact CB-OH 3.46Å; V24-Y371 HydrophobicContact CG2-CD1 3.68Å; V24-Y371 HydrophobicContact CG2-CD2 4.35Å; V24-Y371 HydrophobicContact CG2-CE1 3.69Å; V24-Y371 HydrophobicContact CG2-CE2 4.37Å; V24-Y371 HydrophobicContact CG2-CG 4.02Å; N27-Y371 HydrophobicContact CB-CD2 4.06Å; N27-Y371 HydrophobicContact CB-CE2 3.86Å; Q28-Y371 HydrophobicContact CG-CD2 4.45Å; E369-Y371 PolarHBondContact O-N 3.01Å |
| 372 | H | 93.5 | Very high | 92.9 | Very high | 84 Ų | 84 | 41.4 Ų | 41.4 | 39% | 0.389 | 23% | 0.227 | S | C | . | . | trans | -71.1 | 143.7 | 177.9 | -59.3 | 94.8 | 0 | 0 | 0 | 111.7 | Q28 L363 V364 H365 Q413 | Q28-H372 PolarHBondContact NE2-O 2.92Å; L363-H372 HydrophobicContact CB-CB 4.24Å; L363-H372 HydrophobicContact CD1-CB 4.24Å; V364-H372 WeakPolarHBondContact O-CA 3.23Å; H365-H372 AromaticContact CG-CD2 3.95Å; H365-H372 AromaticContact CG-NE2 3.96Å; H365-H372 AromaticContact ND1-CD2 3.96Å; H372-Q413 PolarHBondContact O-NE2 3.32Å | ||
| 373 | W | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -115.9 | 142.5 | 177.2 | -79 | 85.4 | 0 | 0 | 0 | 110.6 | Q28 F32 V364 P375 F401 R408 L410 Q413 | Q28-W373 HydrophobicContact CB-CH2 3.97Å; Q28-W373 HydrophobicContact CB-CZ2 3.79Å; Q28-W373 HydrophobicContact CG-CH2 4.39Å; Q28-W373 HydrophobicContact CG-CZ2 3.74Å; Q28-W373 WeakPolarHBondContact O-CH2 3.35Å; F32-W373 HydrophobicContact CE2-CH2 4Å; F32-W373 HydrophobicContact CE2-CZ2 4.43Å; V364-W373 HydrophobicContact CG2-CB 3.98Å; V364-W373 WeakPolarHBondContact CG2-O 3.38Å; V364-W373 PolarHBondContact N-O 3.1Å; V364-W373 PolarHBondContact O-N 3.49Å; W373-P375 WeakPolarHBondContact O-CD 2.98Å; W373-F401 HydrophobicContact CB-CD2 4.06Å; W373-F401 HydrophobicContact CB-CE2 3.48Å; W373-F401 VanDerWaalsContact CB-CE2 3.48Å; W373-F401 HydrophobicContact CB-CZ 4.36Å; W373-F401 HydrophobicContact CD2-CE2 4.24Å; W373-F401 AromaticContact CG-CE2 3.71Å; W373-F401 HydrophobicContact CG-CE2 3.71Å; W373-F401 HydrophobicContact CG-CZ 4.29Å; W373-R408 HydrophobicContact CD2-CG 4.08Å; W373-R408 HydrophobicContact CE3-CB 4.25Å; W373-R408 HydrophobicContact CE3-CG 3.85Å; W373-R408 HydrophobicContact CH2-CB 3.98Å; W373-R408 HydrophobicContact CH2-CG 3.57Å; W373-R408 HydrophobicContact CZ2-CG 3.79Å; W373-R408 HydrophobicContact CZ3-CB 3.73Å; W373-R408 HydrophobicContact CZ3-CG 3.59Å; W373-L410 HydrophobicContact CH2-CD2 4.22Å; W373-L410 HydrophobicContact CZ3-CD2 4.32Å; W373-Q413 HydrophobicContact CE3-CB 4.27Å; W373-Q413 HydrophobicContact CE3-CG 3.92Å; W373-Q413 HydrophobicContact CH2-CG 4.44Å; W373-Q413 HydrophobicContact CZ3-CB 4Å; W373-Q413 HydrophobicContact CZ3-CG 3.76Å |
| 374 | L | 96.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | trans | -87.4 | 118.3 | 169.1 | -171.7 | 73 | 0 | 0 | 0 | 109.1 | P333 M334 M359 L363 Y416 | P333-L374 HydrophobicContact CB-CD1 3.88Å; P333-L374 HydrophobicContact CG-CD1 3.88Å; P333-L374 HydrophobicContact CG-CG 4.07Å; M334-L374 HydrophobicContact CB-CD2 4.02Å; M359-L374 HydrophobicContact CG-CD1 4.08Å; M359-L374 HydrophobicContact SD-CD1 4.34Å; L363-L374 HydrophobicContact CD2-CB 4.18Å; L363-L374 HydrophobicContact CD2-CD1 3.71Å; L374-Y416 HydrophobicContact CB-CG 4.32Å | ||
| 375 | P | 95.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | trans | -61.9 | 151.5 | 174.3 | -24.5 | 36.7 | 0 | 0 | 0 | 112.6 | P333 L362 V364 W373 Y378 S399 | P333-P375 WeakPolarHBondContact CG-O 3.43Å; L362-P375 WeakPolarHBondContact O-CD 3.41Å; L362-P375 WeakPolarHBondContact O-CG 3.48Å; V364-P375 HydrophobicContact CG1-CG 3.81Å; V364-P375 HydrophobicContact CG2-CG 4.07Å; W373-P375 WeakPolarHBondContact O-CD 2.98Å; P375-Y378 HydrophobicContact CB-CE2 3.97Å; P375-Y378 HydrophobicContact CG-CE2 3.81Å; P375-S399 VanDerWaalsContact CB-OG 3.24Å; P375-S399 WeakPolarHBondContact CB-OG 3.38Å; P375-S399 WeakPolarHBondContact CG-OG 3.32Å | ||
| 376 | K | 95.7 | Very high | 92.3 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -63.3 | -49.2 | 176.7 | -168.4 | 178 | 172 | -177.8 | 0 | 111.7 | Y307 W332 S400 E406 F409 | Y307-K376 PolarHBondContact OH-NZ 3.12Å; Y307-K376 VanDerWaalsContact OH-NZ 3.14Å; W332-K376 HydrophobicContact CE3-CG 4.35Å; W332-K376 VanDerWaalsContact CE3-O 3.32Å; W332-K376 HydrophobicContact CH2-CD 4.39Å; W332-K376 HydrophobicContact CH2-CG 3.99Å; W332-K376 HydrophobicContact CZ3-CG 3.79Å; K376-S400 PolarHBondContact N-OG 2.84Å; K376-S400 VanDerWaalsContact N-OG 3.13Å; K376-E406 WeakPolarHBondContact CD-OE2 3.22Å; K376-E406 WeakPolarHBondContact CE-OE2 3.48Å; K376-E406 IonicContact NZ-OE1 3.55Å; K376-E406 PolarHBondContact NZ-OE1 3.33Å; K376-E406 IonicContact NZ-OE2 3.55Å; K376-E406 PolarHBondContact NZ-OE2 3.42Å; K376-F409 HydrophobicContact CB-CB 3.8Å; K376-F409 HydrophobicContact CB-CD1 4.02Å; K376-F409 HydrophobicContact CB-CG 3.96Å; K376-F409 HydrophobicContact CD-CB 4.37Å; K376-F409 HydrophobicContact CD-CD2 4.15Å; K376-F409 HydrophobicContact CD-CG 4.17Å; K376-F409 HydrophobicContact CG-CB 4.04Å; K376-F409 HydrophobicContact CG-CD1 3.75Å; K376-F409 HydrophobicContact CG-CD2 4.06Å; K376-F409 HydrophobicContact CG-CE1 4.17Å; K376-F409 HydrophobicContact CG-CE2 4.47Å; K376-F409 HydrophobicContact CG-CG 3.68Å |
| 377 | F | 96.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | trans | -152.5 | 167.2 | 175.9 | 57.3 | -97.4 | 0 | 0 | 0 | 112.7 | A308 E331 W332 F379 S400 L403 | A308-F377 HydrophobicContact CB-CD1 4.14Å; A308-F377 HydrophobicContact CB-CD2 4.04Å; A308-F377 HydrophobicContact CB-CE1 3.64Å; A308-F377 HydrophobicContact CB-CE2 3.52Å; A308-F377 HydrophobicContact CB-CG 4.35Å; A308-F377 HydrophobicContact CB-CZ 3.33Å; E331-F377 CarbonylContact O-C 3.5Å; E331-F377 VanDerWaalsContact O-CA 3.24Å; E331-F377 WeakPolarHBondContact O-CA 3.36Å; W332-F377 HydrophobicContact CD2-CB 4.27Å; W332-F377 HydrophobicContact CG-CB 4.19Å; W332-F377 HydrophobicContact CZ2-CD1 4.3Å; F377-F379 HydrophobicContact CD2-CB 4.27Å; F377-F379 HydrophobicContact CD2-CD1 4.22Å; F377-F379 HydrophobicContact CE2-CB 4.35Å; F377-F379 AromaticContact CE2-CD1 3.88Å; F377-F379 HydrophobicContact CE2-CD1 3.88Å; F377-F379 HydrophobicContact CE2-CG 4.45Å; F377-S400 PolarHBondContact N-OG 2.8Å; F377-S400 VanDerWaalsContact O-CB 3.24Å; F377-S400 WeakPolarHBondContact O-CB 3.28Å; F377-S400 PolarHBondContact O-N 2.92Å; F377-S400 PolarHBondContact O-OG 2.98Å; F377-L403 HydrophobicContact CE2-CD1 4.02Å; F377-L403 HydrophobicContact CZ-CD1 3.99Å | ||
| 378 | Y | 96.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.5 | 170.9 | -82.4 | -97.7 | 0 | 0 | 0 | 110.5 | Y297 S330 E331 P333 L362 P375 R397 K398 | Y297-Y378 AromaticContact CD1-CD1 3.42Å; Y297-Y378 HydrophobicContact CD1-CD1 3.42Å; Y297-Y378 VanDerWaalsContact CD1-CD1 3.42Å; Y297-Y378 HydrophobicContact CD1-CD2 4.46Å; Y297-Y378 AromaticContact CD1-CE1 3.82Å; Y297-Y378 HydrophobicContact CD1-CE1 3.82Å; Y297-Y378 AromaticContact CD1-CG 3.79Å; Y297-Y378 HydrophobicContact CD1-CG 3.79Å; Y297-Y378 HydrophobicContact CE1-CD1 4.04Å; Y297-Y378 HydrophobicContact CE1-CE1 4.29Å; Y297-Y378 HydrophobicContact CG-CD1 4.2Å; Y297-Y378 HydrophobicContact CG-CG 4.14Å; S330-Y378 WeakPolarHBondContact CA-O 3.32Å; E331-Y378 PolarHBondContact N-O 2.88Å; E331-Y378 PolarHBondContact O-N 2.77Å; P333-Y378 HydrophobicContact CG-CD2 4.28Å; P333-Y378 HydrophobicContact CG-CE2 4.27Å; L362-Y378 WeakPolarHBondContact CA-OH 3.28Å; L362-Y378 HydrophobicContact CB-CE2 3.95Å; L362-Y378 HydrophobicContact CD2-CE2 4.29Å; L362-Y378 PolarHBondContact O-OH 2.67Å; P375-Y378 HydrophobicContact CB-CE2 3.97Å; P375-Y378 HydrophobicContact CG-CE2 3.81Å; Y378-R397 HydrophobicContact CD1-CB 4.32Å; Y378-R397 PolarHBondContact O-NH1 3.49Å; Y378-K398 WeakPolarHBondContact CA-O 3.48Å |
| 379 | F | 95.2 | Very high | 92.8 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 155.3 | -173.8 | 69 | -85.8 | 0 | 0 | 0 | 111.9 | A308 V310 S330 F377 P381 R397 K398 L403 | A308-F379 WeakPolarHBondContact O-CB 3.48Å; V310-F379 HydrophobicContact CG1-CD2 3.72Å; V310-F379 HydrophobicContact CG1-CE2 3.83Å; S330-F379 WeakPolarHBondContact OG-CB 3.34Å; F377-F379 HydrophobicContact CD2-CB 4.27Å; F377-F379 HydrophobicContact CD2-CD1 4.22Å; F377-F379 HydrophobicContact CE2-CB 4.35Å; F377-F379 AromaticContact CE2-CD1 3.88Å; F377-F379 HydrophobicContact CE2-CD1 3.88Å; F377-F379 HydrophobicContact CE2-CG 4.45Å; F379-P381 HydrophobicContact CE2-CB 4.38Å; F379-R397 CarbonylContact O-C 3.45Å; F379-R397 VanDerWaalsContact O-CA 3.26Å; F379-R397 WeakPolarHBondContact O-CA 3.28Å; F379-R397 WeakPolarHBondContact O-CB 3.34Å; F379-K398 WeakPolarHBondContact CD1-O 3.33Å; F379-K398 HydrophobicContact CE1-CB 3.95Å; F379-K398 HydrophobicContact CE2-CB 4.33Å; F379-K398 HydrophobicContact CZ-CB 3.85Å; F379-K398 PolarHBondContact N-O 3.49Å; F379-K398 PolarHBondContact O-N 2.93Å; F379-L403 HydrophobicContact CD1-CD1 4.18Å; F379-L403 HydrophobicContact CE1-CD1 3.68Å; F379-L403 HydrophobicContact CE1-CD2 4.2Å; F379-L403 HydrophobicContact CE1-CG 4.03Å; F379-L403 HydrophobicContact CZ-CD1 4.24Å; F379-L403 HydrophobicContact CZ-CD2 4.05Å; F379-L403 HydrophobicContact CZ-CG 4.4Å |
| 380 | V | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | trans | -80.3 | 118.5 | 173.5 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | V310 I328 E384 L385 E388 A395 R397 | V310-V380 WeakPolarHBondContact CG1-O 3.38Å; V310-V380 WeakPolarHBondContact CG2-O 3.04Å; I328-V380 HydrophobicContact CB-CB 4.5Å; I328-V380 HydrophobicContact CB-CG2 4.29Å; V380-E384 HydrophobicContact CG1-CB 4.2Å; V380-L385 HydrophobicContact CB-CD2 4.38Å; V380-L385 HydrophobicContact CG1-CD2 4Å; V380-E388 HydrophobicContact CG1-CB 4.15Å; V380-E388 HydrophobicContact CG1-CG 4.47Å; V380-E388 HydrophobicContact CG2-CG 4.19Å; V380-A395 HydrophobicContact CG1-CB 3.9Å; V380-R397 HydrophobicContact CG2-CG 4.08Å | ||
| 381 | P | 94.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | trans | -71.6 | 156.7 | 178.8 | 33.7 | -37.6 | 0 | 0 | 0 | 111.3 | F379 E383 E384 L385 I396 K398 | F379-P381 HydrophobicContact CE2-CB 4.38Å; P381-E383 HydrophobicContact CB-CG 4.45Å; P381-E383 HydrophobicContact CG-CG 4.38Å; P381-E383 PolarHBondContact O-N 2.88Å; P381-E383 VanDerWaalsContact O-N 3.16Å; P381-E384 HydrophobicContact CG-CB 4.06Å; P381-E384 HydrophobicContact CG-CG 3.87Å; P381-E384 PolarHBondContact O-N 2.98Å; P381-L385 PolarHBondContact O-N 2.88Å; P381-I396 WeakPolarHBondContact CD-O 3.08Å; P381-K398 HydrophobicContact CB-CD 3.92Å; P381-K398 HydrophobicContact CB-CG 4.25Å; P381-K398 HydrophobicContact CG-CD 4.23Å; P381-K398 HydrophobicContact CG-CG 4.14Å | ||
| 382 | T | 93.1 | Very high | 92.2 | Very high | 94 Ų | 94 | 61.3 Ų | 61.3 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -53.1 | -40.8 | -173.7 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | E384 L385 | T382-E384 VanDerWaalsContact C-N 3.28Å; T382-E384 PolarHBondContact O-N 2.82Å; T382-L385 HydrophobicContact CG2-CD1 4.26Å; T382-L385 WeakPolarHBondContact O-CB 3.44Å; T382-L385 WeakPolarHBondContact O-CG 3.28Å; T382-L385 PolarHBondContact O-N 2.76Å |
| 383 | E | 93.2 | Very high | 91.7 | Very high | 122 Ų | 122 | 60.4 Ų | 60.4 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -66.5 | -22.5 | -179.7 | 59.8 | -90.2 | -157 | 0 | 0 | 114.6 | P381 K398 | P381-E383 HydrophobicContact CB-CG 4.45Å; P381-E383 HydrophobicContact CG-CG 4.38Å; P381-E383 PolarHBondContact O-N 2.88Å; P381-E383 VanDerWaalsContact O-N 3.16Å; E383-K398 WeakPolarHBondContact OE1-CE 2.91Å; E383-K398 IonicContact OE1-NZ 3.67Å; E383-K398 PolarHBondContact OE1-NZ 3.31Å |
| 384 | E | 93.5 | Very high | 91.3 | Very high | 51 Ų | 51 | 62 Ų | 62 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -101.9 | -1.6 | -179.4 | -65 | -74.3 | 147 | 0 | 0 | 112.7 | V380 P381 T382 E386 K387 E388 A395 | V380-E384 HydrophobicContact CG1-CB 4.2Å; P381-E384 HydrophobicContact CG-CB 4.06Å; P381-E384 HydrophobicContact CG-CG 3.87Å; P381-E384 PolarHBondContact O-N 2.98Å; T382-E384 VanDerWaalsContact C-N 3.28Å; T382-E384 PolarHBondContact O-N 2.82Å; E384-E386 PolarHBondContact O-N 3.25Å; E384-K387 WeakPolarHBondContact O-CB 3.09Å; E384-K387 PolarHBondContact O-N 2.91Å; E384-K387 WeakPolarHBondContact OE2-CD 3.31Å; E384-K387 IonicContact OE2-NZ 2.94Å; E384-K387 PolarHBondContact OE2-NZ 2.89Å; E384-E388 PolarHBondContact O-N 3Å; E384-A395 HydrophobicContact CB-CB 3.67Å; E384-A395 HydrophobicContact CG-CB 4.43Å |
| 385 | L | 91 | Very high | 90.9 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | -175.3 | -77.4 | 175.5 | 0 | 0 | 0 | 113.3 | V310 L311 I328 V380 P381 T382 K387 E388 R389 | V310-L385 HydrophobicContact CG2-CD1 3.65Å; V310-L385 HydrophobicContact CG2-CD2 3.72Å; V310-L385 HydrophobicContact CG2-CG 3.88Å; L311-L385 HydrophobicContact CD1-CD1 4.47Å; L311-L385 HydrophobicContact CD2-CD1 3.78Å; L311-L385 HydrophobicContact CG-CD1 4.15Å; I328-L385 HydrophobicContact CB-CD2 4.39Å; I328-L385 HydrophobicContact CD1-CD2 3.81Å; I328-L385 HydrophobicContact CG2-CD2 4.04Å; V380-L385 HydrophobicContact CB-CD2 4.38Å; V380-L385 HydrophobicContact CG1-CD2 4Å; P381-L385 PolarHBondContact O-N 2.88Å; T382-L385 HydrophobicContact CG2-CD1 4.26Å; T382-L385 WeakPolarHBondContact O-CB 3.44Å; T382-L385 WeakPolarHBondContact O-CG 3.28Å; T382-L385 PolarHBondContact O-N 2.76Å; L385-K387 VanDerWaalsContact C-N 3.27Å; L385-K387 PolarHBondContact O-N 3.34Å; L385-E388 PolarHBondContact O-N 3.4Å; L385-R389 WeakPolarHBondContact O-CB 3.39Å; L385-R389 WeakPolarHBondContact O-CG 3.49Å; L385-R389 PolarHBondContact O-N 2.95Å |
| 386 | E | 88.5 | Confident | 90.6 | Very high | 126 Ų | 126 | 67.8 Ų | 67.8 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | -179.6 | -71.8 | -160.8 | -179.4 | 0 | 0 | 111.7 | E384 R389 R390 | E384-E386 PolarHBondContact O-N 3.25Å; E386-R389 PolarHBondContact O-N 3.04Å; E386-R390 VanDerWaalsContact O-CG 3.29Å; E386-R390 WeakPolarHBondContact O-CG 3.23Å; E386-R390 PolarHBondContact O-N 3.22Å; E386-R390 IonicContact OE2-CZ 2.73Å; E386-R390 IonicContact OE2-NH2 3.98Å; E386-R390 PolarHBondContact OE2-NH2 3.44Å |
| 387 | K | 89.3 | Confident | 90.6 | Very high | 100 Ų | 100 | 67 Ų | 67 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 178.9 | -165 | -162.7 | -178.8 | -166.7 | 0 | 110.6 | E384 L385 R389 R390 C391 S394 | E384-K387 WeakPolarHBondContact O-CB 3.09Å; E384-K387 PolarHBondContact O-N 2.91Å; E384-K387 WeakPolarHBondContact OE2-CD 3.31Å; E384-K387 IonicContact OE2-NZ 2.94Å; E384-K387 PolarHBondContact OE2-NZ 2.89Å; L385-K387 VanDerWaalsContact C-N 3.27Å; L385-K387 PolarHBondContact O-N 3.34Å; K387-R389 VanDerWaalsContact C-N 3.31Å; K387-R389 PolarHBondContact O-N 3.2Å; K387-R390 PolarHBondContact O-N 2.95Å; K387-C391 PolarHBondContact O-N 3.04Å; K387-S394 WeakPolarHBondContact CE-O 3.23Å; K387-S394 PolarHBondContact NZ-O 3.11Å; K387-S394 PolarHBondContact O-OG 2.99Å; K387-S394 VanDerWaalsContact O-OG 3.09Å |
| 388 | E | 90.5 | Very high | 90.5 | Very high | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -39 | 176.1 | -172.2 | 58.4 | -161.2 | 0 | 0 | 112.4 | I328 V380 E384 L385 C391 R392 G393 S394 A395 | I328-E388 HydrophobicContact CG2-CB 4.39Å; I328-E388 HydrophobicContact CG2-CG 3.96Å; V380-E388 HydrophobicContact CG1-CB 4.15Å; V380-E388 HydrophobicContact CG1-CG 4.47Å; V380-E388 HydrophobicContact CG2-CG 4.19Å; E384-E388 PolarHBondContact O-N 3Å; L385-E388 PolarHBondContact O-N 3.4Å; E388-C391 CarbonylContact O-C 3.59Å; E388-C391 VanDerWaalsContact O-C 3.28Å; E388-R392 PolarHBondContact O-N 3.12Å; E388-G393 VanDerWaalsContact CD-N 3.31Å; E388-G393 PolarHBondContact OE1-N 3.12Å; E388-G393 PolarHBondContact OE2-N 3.24Å; E388-S394 PolarHBondContact OE2-N 2.63Å; E388-A395 HydrophobicContact CB-CB 3.8Å; E388-A395 HydrophobicContact CG-CB 4.3Å; E388-A395 WeakPolarHBondContact OE2-CB 3.06Å; E388-A395 PolarHBondContact OE2-N 3.3Å |
| 389 | R | 85.9 | Confident | 90.4 | Very high | 142 Ų | 142 | 71.7 Ų | 71.7 | 54% | 0.536 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 177.3 | -77.1 | 177.5 | 172.6 | -178.1 | -2.2 | 112.9 | K324 L385 E386 K387 | K324-R389 PolarHBondContact O-NH2 2.82Å; L385-R389 WeakPolarHBondContact O-CB 3.39Å; L385-R389 WeakPolarHBondContact O-CG 3.49Å; L385-R389 PolarHBondContact O-N 2.95Å; E386-R389 PolarHBondContact O-N 3.04Å; K387-R389 VanDerWaalsContact C-N 3.31Å; K387-R389 PolarHBondContact O-N 3.2Å |
| 390 | R | 86.8 | Confident | 90.3 | Very high | 201 Ų | 201 | 70.7 Ų | 70.7 | 76% | 0.758 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73.5 | -41 | 178.1 | -70.2 | 176.2 | -160.1 | -168.9 | 9 | 112 | E386 K387 | E386-R390 VanDerWaalsContact O-CG 3.29Å; E386-R390 WeakPolarHBondContact O-CG 3.23Å; E386-R390 PolarHBondContact O-N 3.22Å; E386-R390 IonicContact OE2-CZ 2.73Å; E386-R390 IonicContact OE2-NH2 3.98Å; E386-R390 PolarHBondContact OE2-NH2 3.44Å; K387-R390 PolarHBondContact O-N 2.95Å |
| 391 | C | 87.1 | Confident | 90 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 54% | 0.541 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -139.5 | 107.5 | 179.4 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | K387 E388 G393 S394 | K387-C391 PolarHBondContact O-N 3.04Å; E388-C391 CarbonylContact O-C 3.59Å; E388-C391 VanDerWaalsContact O-C 3.28Å; C391-G393 PolarHBondContact O-N 3.37Å; C391-S394 WeakPolarHBondContact O-CB 2.96Å; C391-S394 PolarHBondContact O-N 2.86Å; C391-S394 PolarHBondContact O-OG 2.9Å |
| 392 | R | 82.9 | Confident | 89.5 | Confident | 185 Ų | 185 | 82.7 Ų | 82.7 | 70% | 0.698 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 136.1 | -177.7 | -69.4 | -172.5 | 178.2 | 177 | 2.1 | 111.3 | V326 E388 | V326-R392 VanDerWaalsContact CG1-NH2 3.34Å; E388-R392 PolarHBondContact O-N 3.12Å |
| 393 | G | 82.9 | Confident | 89.1 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 67% | 0.67 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 9.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E388 C391 | E388-G393 VanDerWaalsContact CD-N 3.31Å; E388-G393 PolarHBondContact OE1-N 3.12Å; E388-G393 PolarHBondContact OE2-N 3.24Å; C391-G393 PolarHBondContact O-N 3.37Å |
| 394 | S | 87.3 | Confident | 88.3 | Confident | 32 Ų | 32 | 82.7 Ų | 82.7 | 22% | 0.224 | 40% | 0.397 | C | S | . | . | trans | -92.1 | -16.7 | -176.4 | 68.8 | 0 | 0 | 0 | 0 | 114.2 | K387 E388 C391 | K387-S394 WeakPolarHBondContact CE-O 3.23Å; K387-S394 PolarHBondContact NZ-O 3.11Å; K387-S394 PolarHBondContact O-OG 2.99Å; K387-S394 VanDerWaalsContact O-OG 3.09Å; E388-S394 PolarHBondContact OE2-N 2.63Å; C391-S394 WeakPolarHBondContact O-CB 2.96Å; C391-S394 PolarHBondContact O-N 2.86Å; C391-S394 PolarHBondContact O-OG 2.9Å | ||
| 395 | A | 87.1 | Confident | 87.4 | Confident | 7 Ų | 7 | 81.1 Ų | 81.1 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -80.4 | 141.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V380 E384 E388 R397 | V380-A395 HydrophobicContact CG1-CB 3.9Å; E384-A395 HydrophobicContact CB-CB 3.67Å; E384-A395 HydrophobicContact CG-CB 4.43Å; E388-A395 HydrophobicContact CB-CB 3.8Å; E388-A395 HydrophobicContact CG-CB 4.3Å; E388-A395 WeakPolarHBondContact OE2-CB 3.06Å; E388-A395 PolarHBondContact OE2-N 3.3Å; A395-R397 PolarHBondContact O-N 3.44Å |
| 396 | I | 90.5 | Very high | 86.9 | Confident | 118 Ų | 118 | 82.6 Ų | 82.6 | 61% | 0.605 | 40% | 0.401 | S | S | * | . | trans | -81.5 | 113.6 | 167.9 | -60.5 | 175.1 | 0 | 0 | 0 | 107.9 | P381 | P381-I396 WeakPolarHBondContact CD-O 3.08Š| ||
| 397 | R | 94 | Very high | 86.5 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 5% | 0.053 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -78 | 144 | -179.3 | -67 | 178.4 | 172.2 | -109.9 | 1.3 | 111.2 | Y297 E329 E331 Y378 F379 V380 A395 | Y297-R397 HydrophobicContact CD1-CB 4.23Å; Y297-R397 HydrophobicContact CD2-CB 4.12Å; Y297-R397 HydrophobicContact CD2-CG 4.11Å; Y297-R397 HydrophobicContact CE1-CB 4.08Å; Y297-R397 HydrophobicContact CE2-CB 3.96Å; Y297-R397 HydrophobicContact CE2-CG 3.97Å; Y297-R397 HydrophobicContact CG-CB 4.26Å; Y297-R397 PolarHBondContact OH-N 3.1Å; E329-R397 VanDerWaalsContact O-CZ 3.31Å; E329-R397 PolarHBondContact O-NH1 2.69Å; E329-R397 PolarHBondContact O-NH2 3.04Å; E331-R397 IonicContact OE1-CZ 3.62Å; E331-R397 IonicContact OE1-NE 3.38Å; E331-R397 PolarHBondContact OE1-NE 2.89Å; E331-R397 IonicContact OE1-NH2 3.34Å; E331-R397 PolarHBondContact OE1-NH2 2.73Å; Y378-R397 HydrophobicContact CD1-CB 4.32Å; Y378-R397 PolarHBondContact O-NH1 3.49Å; F379-R397 CarbonylContact O-C 3.45Å; F379-R397 VanDerWaalsContact O-CA 3.26Å; F379-R397 WeakPolarHBondContact O-CA 3.28Å; F379-R397 WeakPolarHBondContact O-CB 3.34Å; V380-R397 HydrophobicContact CG2-CG 4.08Å; A395-R397 PolarHBondContact O-N 3.44Å |
| 398 | K | 94.6 | Very high | 86.5 | Confident | 97 Ų | 97 | 73.4 Ų | 73.4 | 42% | 0.422 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 145.1 | 175.6 | -68.6 | -172.1 | -172.7 | 168.2 | 0 | 110.9 | Y378 F379 P381 E383 | Y378-K398 WeakPolarHBondContact CA-O 3.48Å; F379-K398 WeakPolarHBondContact CD1-O 3.33Å; F379-K398 HydrophobicContact CE1-CB 3.95Å; F379-K398 HydrophobicContact CE2-CB 4.33Å; F379-K398 HydrophobicContact CZ-CB 3.85Å; F379-K398 PolarHBondContact N-O 3.49Å; F379-K398 PolarHBondContact O-N 2.93Å; P381-K398 HydrophobicContact CB-CD 3.92Å; P381-K398 HydrophobicContact CB-CG 4.25Å; P381-K398 HydrophobicContact CG-CD 4.23Å; P381-K398 HydrophobicContact CG-CG 4.14Å; E383-K398 WeakPolarHBondContact OE1-CE 2.91Å; E383-K398 IonicContact OE1-NZ 3.67Å; E383-K398 PolarHBondContact OE1-NZ 3.31Å |
| 399 | S | 94.4 | Very high | 86.7 | Confident | 21 Ų | 21 | 73.7 Ų | 73.7 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.8 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | P375 F401 | P375-S399 VanDerWaalsContact CB-OG 3.24Å; P375-S399 WeakPolarHBondContact CB-OG 3.38Å; P375-S399 WeakPolarHBondContact CG-OG 3.32Å; S399-F401 PolarHBondContact O-N 3.24Å; S399-F401 VanDerWaalsContact O-N 3.14Å; S399-F401 VanDerWaalsContact OG-CB 3.3Å; S399-F401 WeakPolarHBondContact OG-CB 3.44Å; S399-F401 PolarHBondContact OG-N 3.14Å; S399-F401 VanDerWaalsContact OG-N 3.08Å |
| 400 | S | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -57.8 | -17.2 | 168.1 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | K376 F377 R402 L403 | K376-S400 PolarHBondContact N-OG 2.84Å; K376-S400 VanDerWaalsContact N-OG 3.13Å; F377-S400 PolarHBondContact N-OG 2.8Å; F377-S400 VanDerWaalsContact O-CB 3.24Å; F377-S400 WeakPolarHBondContact O-CB 3.28Å; F377-S400 PolarHBondContact O-N 2.92Å; F377-S400 PolarHBondContact O-OG 2.98Å; S400-R402 PolarHBondContact O-N 3.32Å; S400-L403 WeakPolarHBondContact O-CB 3.21Å; S400-L403 PolarHBondContact O-N 2.87Å |
| 401 | F | 90.1 | Very high | 87.8 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 10% | 0.096 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -58.6 | -27.9 | -174.8 | -164 | -85.3 | 0 | 0 | 0 | 113.5 | V364 P366 W373 S399 S407 | V364-F401 HydrophobicContact CB-CG 4.46Å; V364-F401 HydrophobicContact CG1-CB 4.46Å; V364-F401 HydrophobicContact CG2-CB 3.85Å; V364-F401 HydrophobicContact CG2-CD1 4.07Å; V364-F401 HydrophobicContact CG2-CD2 3.33Å; V364-F401 HydrophobicContact CG2-CE2 3.9Å; V364-F401 HydrophobicContact CG2-CG 3.46Å; V364-F401 VanDerWaalsContact CG2-CG 3.46Å; P366-F401 HydrophobicContact CB-CE1 3.79Å; P366-F401 HydrophobicContact CB-CZ 4.07Å; P366-F401 HydrophobicContact CG-CD1 4.12Å; P366-F401 HydrophobicContact CG-CE1 3.18Å; P366-F401 HydrophobicContact CG-CE2 4Å; P366-F401 HydrophobicContact CG-CZ 3.12Å; W373-F401 HydrophobicContact CB-CD2 4.06Å; W373-F401 HydrophobicContact CB-CE2 3.48Å; W373-F401 VanDerWaalsContact CB-CE2 3.48Å; W373-F401 HydrophobicContact CB-CZ 4.36Å; W373-F401 HydrophobicContact CD2-CE2 4.24Å; W373-F401 AromaticContact CG-CE2 3.71Å; W373-F401 HydrophobicContact CG-CE2 3.71Å; W373-F401 HydrophobicContact CG-CZ 4.29Å; S399-F401 PolarHBondContact O-N 3.24Å; S399-F401 VanDerWaalsContact O-N 3.14Å; S399-F401 VanDerWaalsContact OG-CB 3.3Å; S399-F401 WeakPolarHBondContact OG-CB 3.44Å; S399-F401 PolarHBondContact OG-N 3.14Å; S399-F401 VanDerWaalsContact OG-N 3.08Å; F401-S407 WeakPolarHBondContact CD2-O 3.28Å; F401-S407 WeakPolarHBondContact CE2-O 3.49Å; F401-S407 WeakPolarHBondContact O-CB 3.25Å |
| 402 | R | 83.1 | Confident | 88.2 | Confident | 237 Ų | 237 | 54 Ų | 54 | 89% | 0.894 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -89.6 | -5.5 | 178.3 | -61.9 | -172.6 | -173.7 | 177.8 | 3 | 113.8 | S400 | S400-R402 PolarHBondContact O-N 3.32Š|
| 403 | L | 85.2 | Confident | 88.9 | Confident | 66 Ų | 66 | 45.2 Ų | 45.2 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -78.8 | 138 | 176.7 | -61.1 | 178.6 | 0 | 0 | 0 | 110 | F377 F379 S400 G405 E406 | F377-L403 HydrophobicContact CE2-CD1 4.02Å; F377-L403 HydrophobicContact CZ-CD1 3.99Å; F379-L403 HydrophobicContact CD1-CD1 4.18Å; F379-L403 HydrophobicContact CE1-CD1 3.68Å; F379-L403 HydrophobicContact CE1-CD2 4.2Å; F379-L403 HydrophobicContact CE1-CG 4.03Å; F379-L403 HydrophobicContact CZ-CD1 4.24Å; F379-L403 HydrophobicContact CZ-CD2 4.05Å; F379-L403 HydrophobicContact CZ-CG 4.4Å; S400-L403 WeakPolarHBondContact O-CB 3.21Å; S400-L403 PolarHBondContact O-N 2.87Å; L403-G405 PolarHBondContact O-N 3.31Å; L403-E406 HydrophobicContact CB-CB 4.1Å; L403-E406 PolarHBondContact O-N 2.93Å |
| 404 | V | 76.6 | Confident | 89.7 | Confident | 150 Ų | 150 | 42.1 Ų | 42.1 | 91% | 0.909 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 132.4 | 178.4 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | E406 | V404-E406 PolarHBondContact O-N 2.92Š|
| 405 | G | 74.2 | Confident | 90.2 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 19% | 0.186 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -23.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L403 | L403-G405 PolarHBondContact O-N 3.31Š|
| 406 | E | 80 | Confident | 90.8 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | trans | -103.1 | 5 | -172.6 | -65.2 | -67.8 | 176.5 | 0 | 0 | 113.9 | K376 L403 V404 | K376-E406 WeakPolarHBondContact CD-OE2 3.22Å; K376-E406 WeakPolarHBondContact CE-OE2 3.48Å; K376-E406 IonicContact NZ-OE1 3.55Å; K376-E406 PolarHBondContact NZ-OE1 3.33Å; K376-E406 IonicContact NZ-OE2 3.55Å; K376-E406 PolarHBondContact NZ-OE2 3.42Å; L403-E406 HydrophobicContact CB-CB 4.1Å; L403-E406 PolarHBondContact O-N 2.93Å; V404-E406 PolarHBondContact O-N 2.92Å | ||
| 407 | S | 79.9 | Confident | 91.1 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -73.5 | -34.6 | -167.9 | 65.2 | 0 | 0 | 0 | 0 | 115.7 | M45 F401 | M45-S407 VanDerWaalsContact CG-OG 3.28Å; M45-S407 WeakPolarHBondContact CG-OG 3.2Å; F401-S407 WeakPolarHBondContact CD2-O 3.28Å; F401-S407 WeakPolarHBondContact CE2-O 3.49Å; F401-S407 WeakPolarHBondContact O-CB 3.25Å |
| 408 | R | 90.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | trans | -118.8 | 107.4 | 176 | -74.8 | 99.9 | 179.8 | 127.7 | -4.5 | 110.1 | P44 M45 E369 W373 | P44-R408 HydrophobicContact CB-CB 4.47Å; P44-R408 VanDerWaalsContact CD-O 3.23Å; P44-R408 WeakPolarHBondContact CD-O 3.31Å; P44-R408 HydrophobicContact CG-CB 4.23Å; M45-R408 HydrophobicContact CG-CG 4.43Å; M45-R408 WeakPolarHBondContact SD-CD 3.37Å; E369-R408 IonicContact OE1-CZ 3.85Å; E369-R408 IonicContact OE1-NE 2.79Å; E369-R408 PolarHBondContact OE1-NE 3.08Å; E369-R408 VanDerWaalsContact OE1-NE 3.14Å; E369-R408 IonicContact OE1-NH2 3.21Å; E369-R408 PolarHBondContact OE1-NH2 3.15Å; W373-R408 HydrophobicContact CD2-CG 4.08Å; W373-R408 HydrophobicContact CE3-CB 4.25Å; W373-R408 HydrophobicContact CE3-CG 3.85Å; W373-R408 HydrophobicContact CH2-CB 3.98Å; W373-R408 HydrophobicContact CH2-CG 3.57Å; W373-R408 HydrophobicContact CZ2-CG 3.79Å; W373-R408 HydrophobicContact CZ3-CB 3.73Å; W373-R408 HydrophobicContact CZ3-CG 3.59Å | ||
| 409 | F | 94.4 | Very high | 91.5 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 7% | 0.066 | 15% | 0.151 | C | C | . | . | trans | -102.5 | 99.9 | 177.9 | 175 | -129.3 | 0 | 0 | 0 | 110.1 | W332 M334 K376 W411 G412 Q413 | W332-F409 HydrophobicContact CZ3-CE1 4.2Å; W332-F409 HydrophobicContact CZ3-CZ 4.13Å; M334-F409 HydrophobicContact SD-CE1 3.69Å; M334-F409 HydrophobicContact SD-CZ 4.12Å; K376-F409 HydrophobicContact CB-CB 3.8Å; K376-F409 HydrophobicContact CB-CD1 4.02Å; K376-F409 HydrophobicContact CB-CG 3.96Å; K376-F409 HydrophobicContact CD-CB 4.37Å; K376-F409 HydrophobicContact CD-CD2 4.15Å; K376-F409 HydrophobicContact CD-CG 4.17Å; K376-F409 HydrophobicContact CG-CB 4.04Å; K376-F409 HydrophobicContact CG-CD1 3.75Å; K376-F409 HydrophobicContact CG-CD2 4.06Å; K376-F409 HydrophobicContact CG-CE1 4.17Å; K376-F409 HydrophobicContact CG-CE2 4.47Å; K376-F409 HydrophobicContact CG-CG 3.68Å; F409-W411 HydrophobicContact CD2-CB 4.47Å; F409-W411 HydrophobicContact CE1-CB 4.37Å; F409-W411 HydrophobicContact CE2-CB 3.72Å; F409-W411 HydrophobicContact CE2-CD2 4.42Å; F409-W411 HydrophobicContact CE2-CE3 4.04Å; F409-W411 HydrophobicContact CE2-CG 4.36Å; F409-W411 HydrophobicContact CZ-CB 3.66Å; F409-W411 AromaticContact CZ-CD2 3.84Å; F409-W411 HydrophobicContact CZ-CD2 3.84Å; F409-W411 AromaticContact CZ-CE3 3.67Å; F409-W411 HydrophobicContact CZ-CE3 3.67Å; F409-W411 AromaticContact CZ-CG 3.88Å; F409-W411 HydrophobicContact CZ-CG 3.88Å; F409-G412 VanDerWaalsContact CD1-N 3.34Å; F409-G412 VanDerWaalsContact CE1-CA 3.42Å; F409-Q413 WeakPolarHBondContact O-CB 3.45Å; F409-Q413 PolarHBondContact O-N 3.2Å | ||
| 410 | L | 96.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.2 | -40.3 | -169.7 | -60.9 | -176.9 | 0 | 0 | 0 | 112.9 | I29 F32 F40 P44 C60 W373 Q413 S414 | I29-L410 HydrophobicContact CD1-CD2 4.36Å; F32-L410 HydrophobicContact CB-CD1 4.16Å; F32-L410 HydrophobicContact CD2-CD1 4.36Å; F32-L410 HydrophobicContact CD2-CD2 3.69Å; F32-L410 HydrophobicContact CE2-CD2 4Å; F40-L410 HydrophobicContact CB-CD1 4.01Å; F40-L410 HydrophobicContact CD1-CD1 4.27Å; P44-L410 HydrophobicContact CG-CD1 3.72Å; P44-L410 HydrophobicContact CG-CD2 3.99Å; P44-L410 HydrophobicContact CG-CG 3.62Å; C60-L410 VanDerWaalsContact SG-CB 3.56Å; W373-L410 HydrophobicContact CH2-CD2 4.22Å; W373-L410 HydrophobicContact CZ3-CD2 4.32Å; L410-Q413 PolarHBondContact O-N 3.13Å; L410-S414 WeakPolarHBondContact O-CB 3.4Å; L410-S414 PolarHBondContact O-N 3.44Å; L410-S414 PolarHBondContact O-OG 2.96Å |
| 411 | W | 97.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 2% | 0.023 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.1 | -54.7 | 176.6 | 169.1 | 16 | 0 | 0 | 0 | 111.6 | D56 Y59 M189 W190 M334 Y338 F409 Q413 S414 V415 | D56-W411 HydrophobicContact CB-CB 4.34Å; Y59-W411 AromaticContact CD2-CD1 3.16Å; Y59-W411 HydrophobicContact CD2-CD2 4.06Å; Y59-W411 AromaticContact CD2-CE2 3.7Å; Y59-W411 AromaticContact CD2-CG 3.79Å; Y59-W411 HydrophobicContact CD2-CG 3.79Å; Y59-W411 HydrophobicContact CD2-CZ2 4.48Å; Y59-W411 AromaticContact CD2-NE1 3.16Å; Y59-W411 AromaticContact CE2-CD1 3.69Å; Y59-W411 HydrophobicContact CE2-CD2 4.3Å; Y59-W411 AromaticContact CE2-CE2 3.5Å; Y59-W411 HydrophobicContact CE2-CG 4.41Å; Y59-W411 AromaticContact CE2-CZ2 3.88Å; Y59-W411 HydrophobicContact CE2-CZ2 3.88Å; Y59-W411 AromaticContact CE2-NE1 3.12Å; Y59-W411 AromaticContact CG-CD1 3.42Å; Y59-W411 VanDerWaalsContact CG-CD1 3.42Å; Y59-W411 HydrophobicContact CG-CG 4.27Å; Y59-W411 AromaticContact CG-NE1 3.72Å; Y59-W411 AromaticContact CZ-NE1 3.69Å; M189-W411 HydrophobicContact CG-CH2 3.95Å; M189-W411 HydrophobicContact SD-CH2 3.76Å; M189-W411 HydrophobicContact SD-CZ2 4.14Å; W190-W411 HydrophobicContact CZ3-CH2 4.27Å; W190-W411 HydrophobicContact CZ3-CZ3 4.37Å; M334-W411 HydrophobicContact CE-CH2 4.19Å; M334-W411 HydrophobicContact CE-CZ2 3.76Å; Y338-W411 PolarHBondContact OH-NE1 3.48Å; F409-W411 HydrophobicContact CD2-CB 4.47Å; F409-W411 HydrophobicContact CE1-CB 4.37Å; F409-W411 HydrophobicContact CE2-CB 3.72Å; F409-W411 HydrophobicContact CE2-CD2 4.42Å; F409-W411 HydrophobicContact CE2-CE3 4.04Å; F409-W411 HydrophobicContact CE2-CG 4.36Å; F409-W411 HydrophobicContact CZ-CB 3.66Å; F409-W411 AromaticContact CZ-CD2 3.84Å; F409-W411 HydrophobicContact CZ-CD2 3.84Å; F409-W411 AromaticContact CZ-CE3 3.67Å; F409-W411 HydrophobicContact CZ-CE3 3.67Å; F409-W411 AromaticContact CZ-CG 3.88Å; F409-W411 HydrophobicContact CZ-CG 3.88Å; W411-Q413 VanDerWaalsContact C-N 3.27Å; W411-Q413 PolarHBondContact O-N 2.56Å; W411-S414 WeakPolarHBondContact O-CB 3.37Å; W411-S414 PolarHBondContact O-N 3.35Å; W411-V415 WeakPolarHBondContact O-CG2 3.47Å; W411-V415 PolarHBondContact O-N 3.12Å; W411-V415 VanDerWaalsContact O-N 3.13Å |
| 412 | G | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F409 V415 Y416 | F409-G412 VanDerWaalsContact CD1-N 3.34Å; F409-G412 VanDerWaalsContact CE1-CA 3.42Å; G412-V415 PolarHBondContact O-N 3.27Å; G412-Y416 WeakPolarHBondContact O-CB 3.26Å; G412-Y416 PolarHBondContact O-N 3.34Å |
| 413 | Q | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 177.3 | -168.7 | 64.2 | 17.3 | 0 | 0 | 112.3 | I29 H372 W373 F409 L410 W411 Y416 I417 | I29-Q413 HydrophobicContact CD1-CB 4.33Å; I29-Q413 HydrophobicContact CD1-CG 4.17Å; H372-Q413 PolarHBondContact O-NE2 3.32Å; W373-Q413 HydrophobicContact CE3-CB 4.27Å; W373-Q413 HydrophobicContact CE3-CG 3.92Å; W373-Q413 HydrophobicContact CH2-CG 4.44Å; W373-Q413 HydrophobicContact CZ3-CB 4Å; W373-Q413 HydrophobicContact CZ3-CG 3.76Å; F409-Q413 WeakPolarHBondContact O-CB 3.45Å; F409-Q413 PolarHBondContact O-N 3.2Å; L410-Q413 PolarHBondContact O-N 3.13Å; W411-Q413 VanDerWaalsContact C-N 3.27Å; W411-Q413 PolarHBondContact O-N 2.56Å; Q413-Y416 WeakPolarHBondContact O-CB 3.18Å; Q413-Y416 PolarHBondContact O-N 3.44Å; Q413-I417 HydrophobicContact CG-CD1 4.05Å; Q413-I417 VanDerWaalsContact O-CG1 3.32Å; Q413-I417 WeakPolarHBondContact O-CG1 3.42Å; Q413-I417 PolarHBondContact O-N 3.39Å |
| 414 | S | 98.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | Y59 C60 V63 L410 W411 Y416 I417 I418 | Y59-S414 WeakPolarHBondContact O-CB 3.42Å; Y59-S414 PolarHBondContact O-OG 2.88Å; C60-S414 WeakPolarHBondContact CA-OG 3.49Å; V63-S414 WeakPolarHBondContact CG1-OG 3.37Å; L410-S414 WeakPolarHBondContact O-CB 3.4Å; L410-S414 PolarHBondContact O-N 3.44Å; L410-S414 PolarHBondContact O-OG 2.96Å; W411-S414 WeakPolarHBondContact O-CB 3.37Å; W411-S414 PolarHBondContact O-N 3.35Å; S414-Y416 VanDerWaalsContact C-N 3.33Å; S414-Y416 PolarHBondContact O-N 2.86Å; S414-I417 PolarHBondContact O-N 3.5Å; S414-I418 VanDerWaalsContact O-CG1 3.31Å; S414-I418 WeakPolarHBondContact O-CG1 3.39Å; S414-I418 PolarHBondContact O-N 2.84Å |
| 415 | V | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64 | -39.7 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 111 | Y59 W271 A337 Y338 I341 W411 G412 I418 S419 | Y59-V415 HydrophobicContact CD1-CG2 4.09Å; Y59-V415 HydrophobicContact CE1-CG2 4.32Å; W271-V415 HydrophobicContact CZ3-CG1 4.47Å; W271-V415 HydrophobicContact CZ3-CG2 4.44Å; A337-V415 HydrophobicContact CB-CG1 3.89Å; Y338-V415 HydrophobicContact CD1-CG1 4.23Å; Y338-V415 HydrophobicContact CD2-CG1 3.9Å; Y338-V415 HydrophobicContact CE1-CG1 4.19Å; Y338-V415 HydrophobicContact CE1-CG2 4.44Å; Y338-V415 HydrophobicContact CE2-CB 4.45Å; Y338-V415 HydrophobicContact CE2-CG1 3.85Å; Y338-V415 HydrophobicContact CE2-CG2 4.01Å; Y338-V415 HydrophobicContact CG-CG1 4.09Å; I341-V415 HydrophobicContact CD1-CG1 3.66Å; W411-V415 WeakPolarHBondContact O-CG2 3.47Å; W411-V415 PolarHBondContact O-N 3.12Å; W411-V415 VanDerWaalsContact O-N 3.13Å; G412-V415 PolarHBondContact O-N 3.27Å; V415-I418 PolarHBondContact O-N 2.86Å; V415-S419 PolarHBondContact O-N 3.14Å |
| 416 | Y | 98.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 11.5 Ų | 11.5 | 9% | 0.09 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.7 | -50.3 | 173.6 | 166.2 | -107.6 | 0 | 0 | 0 | 112.4 | M359 L363 L374 G412 Q413 S414 I418 S419 Q420 | M359-Y416 HydrophobicContact CE-CD2 3.57Å; M359-Y416 HydrophobicContact CE-CE2 3.61Å; M359-Y416 HydrophobicContact SD-CD2 3.78Å; M359-Y416 HydrophobicContact SD-CE2 4.3Å; L363-Y416 HydrophobicContact CD1-CE2 3.95Å; L363-Y416 VanDerWaalsContact CD1-OH 3.27Å; L363-Y416 WeakPolarHBondContact CD1-OH 3.16Å; L363-Y416 HydrophobicContact CD2-CD2 4.25Å; L363-Y416 HydrophobicContact CD2-CE1 4.49Å; L363-Y416 HydrophobicContact CD2-CE2 3.81Å; L363-Y416 HydrophobicContact CG-CE2 4.49Å; L374-Y416 HydrophobicContact CB-CG 4.32Å; G412-Y416 WeakPolarHBondContact O-CB 3.26Å; G412-Y416 PolarHBondContact O-N 3.34Å; Q413-Y416 WeakPolarHBondContact O-CB 3.18Å; Q413-Y416 PolarHBondContact O-N 3.44Å; S414-Y416 VanDerWaalsContact C-N 3.33Å; S414-Y416 PolarHBondContact O-N 2.86Å; Y416-I418 VanDerWaalsContact C-N 3.29Å; Y416-I418 PolarHBondContact O-N 3.31Å; Y416-S419 PolarHBondContact O-N 3.18Å; Y416-S419 VanDerWaalsContact O-N 3.09Å; Y416-S419 PolarHBondContact O-OG 3.15Å; Y416-Q420 HydrophobicContact CD2-CG 4.04Å; Y416-Q420 HydrophobicContact CE1-CG 4.21Å; Y416-Q420 HydrophobicContact CE2-CG 3.5Å; Y416-Q420 WeakPolarHBondContact O-CG 3.42Å; Y416-Q420 PolarHBondContact O-N 3.42Å |
| 417 | I | 98.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.8 | -40.5 | -179.1 | -67.2 | 164.7 | 0 | 0 | 0 | 110.7 | Y21 V24 V25 I29 V63 Q413 S414 S419 Q420 L421 | Y21-I417 HydrophobicContact CD1-CG2 4.49Å; V24-I417 HydrophobicContact CG1-CD1 4.07Å; V24-I417 HydrophobicContact CG1-CG1 4.26Å; V25-I417 HydrophobicContact CG2-CD1 4.48Å; V25-I417 HydrophobicContact CG2-CG2 3.97Å; I29-I417 HydrophobicContact CD1-CD1 4.31Å; I29-I417 HydrophobicContact CG1-CD1 3.98Å; V63-I417 HydrophobicContact CG2-CB 3.82Å; V63-I417 HydrophobicContact CG2-CG2 3.59Å; Q413-I417 HydrophobicContact CG-CD1 4.05Å; Q413-I417 VanDerWaalsContact O-CG1 3.32Å; Q413-I417 WeakPolarHBondContact O-CG1 3.42Å; Q413-I417 PolarHBondContact O-N 3.39Å; S414-I417 PolarHBondContact O-N 3.5Å; I417-S419 VanDerWaalsContact C-N 3.32Å; I417-S419 PolarHBondContact O-N 3.1Å; I417-Q420 PolarHBondContact O-N 3.44Å; I417-L421 HydrophobicContact CG2-CD1 4.08Å; I417-L421 HydrophobicContact CG2-CG 4.44Å; I417-L421 WeakPolarHBondContact O-CB 3.31Å; I417-L421 WeakPolarHBondContact O-CG 3.37Å; I417-L421 PolarHBondContact O-N 2.83Å |
| 418 | I | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 174.7 | -67.8 | 168.1 | 0 | 0 | 0 | 110.9 | T62 V63 A66 W271 I341 S414 V415 Y416 Q420 L421 L422 L427 L432 | T62-I418 HydrophobicContact CG2-CD1 3.95Å; V63-I418 HydrophobicContact CB-CD1 4.01Å; V63-I418 HydrophobicContact CB-CG1 3.91Å; V63-I418 HydrophobicContact CG2-CG1 3.91Å; A66-I418 HydrophobicContact CB-CG1 4.4Å; W271-I418 HydrophobicContact CH2-CD1 3.64Å; W271-I418 HydrophobicContact CZ2-CD1 4.07Å; I341-I418 HydrophobicContact CD1-CB 4.32Å; I341-I418 HydrophobicContact CD1-CG2 3.91Å; I341-I418 HydrophobicContact CG1-CG2 4.22Å; S414-I418 VanDerWaalsContact O-CG1 3.31Å; S414-I418 WeakPolarHBondContact O-CG1 3.39Å; S414-I418 PolarHBondContact O-N 2.84Å; V415-I418 PolarHBondContact O-N 2.86Å; Y416-I418 VanDerWaalsContact C-N 3.29Å; Y416-I418 PolarHBondContact O-N 3.31Å; I418-Q420 VanDerWaalsContact C-N 3.33Å; I418-Q420 PolarHBondContact O-N 2.8Å; I418-L421 PolarHBondContact O-N 3.37Å; I418-L422 HydrophobicContact CG2-CD1 4.37Å; I418-L422 PolarHBondContact O-N 3.08Å; I418-L427 HydrophobicContact CG2-CD2 4.07Å; I418-L432 HydrophobicContact CG2-CD1 4.17Å; I418-L432 HydrophobicContact CG2-CD2 3.63Å |
| 419 | S | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.9 | 87.4 | 0 | 0 | 0 | 0 | 112 | V415 Y416 I417 L422 I423 | V415-S419 PolarHBondContact O-N 3.14Å; Y416-S419 PolarHBondContact O-N 3.18Å; Y416-S419 VanDerWaalsContact O-N 3.09Å; Y416-S419 PolarHBondContact O-OG 3.15Å; I417-S419 VanDerWaalsContact C-N 3.32Å; I417-S419 PolarHBondContact O-N 3.1Å; S419-L422 PolarHBondContact O-N 2.71Å; S419-I423 WeakPolarHBondContact O-CG1 3.33Å; S419-I423 PolarHBondContact O-N 2.92Å |
| 420 | Q | 97.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 15.2 Ų | 15.2 | 7% | 0.07 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.9 | -37.4 | 176.5 | -60.1 | -56 | -75.2 | 0 | 0 | 112.6 | Y21 D356 M359 Y416 I417 I418 L422 I423 S424 | Y21-Q420 HydrophobicContact CE1-CB 4.03Å; Y21-Q420 PolarHBondContact OH-O 3.27Å; D356-Q420 PolarHBondContact OD1-NE2 3.02Å; M359-Q420 VanDerWaalsContact CE-NE2 3.33Å; Y416-Q420 HydrophobicContact CD2-CG 4.04Å; Y416-Q420 HydrophobicContact CE1-CG 4.21Å; Y416-Q420 HydrophobicContact CE2-CG 3.5Å; Y416-Q420 WeakPolarHBondContact O-CG 3.42Å; Y416-Q420 PolarHBondContact O-N 3.42Å; I417-Q420 PolarHBondContact O-N 3.44Å; I418-Q420 VanDerWaalsContact C-N 3.33Å; I418-Q420 PolarHBondContact O-N 2.8Å; Q420-L422 VanDerWaalsContact C-N 3.3Å; Q420-L422 PolarHBondContact O-N 3.16Å; Q420-I423 PolarHBondContact O-N 3.5Å; Q420-S424 VanDerWaalsContact O-CB 3.31Å; Q420-S424 WeakPolarHBondContact O-CB 3.3Å; Q420-S424 PolarHBondContact O-N 2.82Å; Q420-S424 PolarHBondContact O-OG 3.25Å |
| 421 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | 172.8 | -79.7 | 168.5 | 0 | 0 | 0 | 111.7 | Y21 L67 I417 I418 S424 G425 C426 L427 | Y21-L421 HydrophobicContact CD1-CD2 4Å; Y21-L421 HydrophobicContact CD1-CG 4.18Å; Y21-L421 HydrophobicContact CD2-CD2 3.41Å; Y21-L421 VanDerWaalsContact CD2-CD2 3.41Å; Y21-L421 HydrophobicContact CD2-CG 4.37Å; Y21-L421 HydrophobicContact CE1-CD2 4.42Å; Y21-L421 HydrophobicContact CE1-CG 4.41Å; Y21-L421 HydrophobicContact CE2-CD2 3.89Å; Y21-L421 HydrophobicContact CG-CD2 3.47Å; Y21-L421 VanDerWaalsContact CG-CD2 3.47Å; Y21-L421 HydrophobicContact CG-CG 4.17Å; L67-L421 HydrophobicContact CD1-CD2 4.14Å; I417-L421 HydrophobicContact CG2-CD1 4.08Å; I417-L421 HydrophobicContact CG2-CG 4.44Å; I417-L421 WeakPolarHBondContact O-CB 3.31Å; I417-L421 WeakPolarHBondContact O-CG 3.37Å; I417-L421 PolarHBondContact O-N 2.83Å; I418-L421 PolarHBondContact O-N 3.37Å; L421-S424 PolarHBondContact O-OG 2.91Å; L421-S424 VanDerWaalsContact O-OG 3.06Å; L421-G425 PolarHBondContact O-N 2.75Å; L421-C426 HydrophobicContact CD2-CB 3.81Å; L421-C426 PolarHBondContact O-N 3.48Å; L421-L427 HydrophobicContact CB-CB 3.77Å; L421-L427 HydrophobicContact CB-CD2 4.33Å; L421-L427 PolarHBondContact O-N 2.76Å |
| 422 | L | 96.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 15.5 Ų | 15.5 | 6% | 0.058 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.6 | -49.7 | 174.7 | -71.5 | 168.8 | 0 | 0 | 0 | 112.2 | I341 C344 I418 S419 Q420 S424 G425 L427 L432 | I341-L422 HydrophobicContact CB-CD1 4.09Å; I341-L422 HydrophobicContact CG1-CD1 3.89Å; I341-L422 HydrophobicContact CG2-CD1 3.88Å; C344-L422 HydrophobicContact CB-CB 3.97Å; C344-L422 HydrophobicContact CB-CD1 4.13Å; C344-L422 HydrophobicContact CB-CG 4.5Å; I418-L422 HydrophobicContact CG2-CD1 4.37Å; I418-L422 PolarHBondContact O-N 3.08Å; S419-L422 PolarHBondContact O-N 2.71Å; Q420-L422 VanDerWaalsContact C-N 3.3Å; Q420-L422 PolarHBondContact O-N 3.16Å; L422-S424 VanDerWaalsContact C-N 3.27Å; L422-S424 PolarHBondContact O-N 2.84Å; L422-G425 PolarHBondContact O-N 2.93Å; L422-L427 HydrophobicContact CD2-CB 4.15Å; L422-L427 HydrophobicContact CD2-CD2 4.06Å; L422-L427 HydrophobicContact CD2-CG 4.01Å; L422-L427 WeakPolarHBondContact CD2-O 3.47Å; L422-L427 HydrophobicContact CG-CB 4.45Å; L422-L427 HydrophobicContact CG-CD2 4.09Å; L422-L427 HydrophobicContact CG-CG 4.49Å; L422-L432 HydrophobicContact CD1-CD2 4.04Å |
| 423 | I | 94.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 15.7 Ų | 15.7 | 12% | 0.118 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 179.1 | -74.9 | 177 | 0 | 0 | 0 | 111.2 | I340 R349 L353 D356 S419 Q420 G425 | I340-I423 HydrophobicContact CD1-CD1 4.24Å; I340-I423 HydrophobicContact CG1-CD1 4.48Å; I340-I423 HydrophobicContact CG2-CD1 3.4Å; I340-I423 HydrophobicContact CG2-CG1 3.64Å; R349-I423 PolarHBondContact NH2-O 2.7Å; L353-I423 HydrophobicContact CD2-CG2 4.17Å; D356-I423 HydrophobicContact CB-CD1 3.58Å; S419-I423 WeakPolarHBondContact O-CG1 3.33Å; S419-I423 PolarHBondContact O-N 2.92Å; Q420-I423 PolarHBondContact O-N 3.5Å; I423-G425 PolarHBondContact O-N 3.18Å |
| 424 | S | 92 | Very high | 94.8 | Very high | 32 Ų | 32 | 17.4 Ų | 17.4 | 22% | 0.224 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.6 | 179.4 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | Y21 Q420 L421 L422 C426 | Y21-S424 WeakPolarHBondContact CE2-OG 3.13Å; Y21-S424 PolarHBondContact OH-OG 3.4Å; Q420-S424 VanDerWaalsContact O-CB 3.31Å; Q420-S424 WeakPolarHBondContact O-CB 3.3Å; Q420-S424 PolarHBondContact O-N 2.82Å; Q420-S424 PolarHBondContact O-OG 3.25Å; L421-S424 PolarHBondContact O-OG 2.91Å; L421-S424 VanDerWaalsContact O-OG 3.06Å; L422-S424 VanDerWaalsContact C-N 3.27Å; L422-S424 PolarHBondContact O-N 2.84Å; S424-C426 PolarHBondContact O-N 3.27Å; S424-C426 PolarHBondContact OG-SG 2.64Å |
| 425 | G | 90.9 | Very high | 94.2 | Very high | 33 Ų | 33 | 18.1 Ų | 18.1 | 34% | 0.34 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 10.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | L421 L422 I423 | L421-G425 PolarHBondContact O-N 2.75Å; L422-G425 PolarHBondContact O-N 2.93Å; I423-G425 PolarHBondContact O-N 3.18Å |
| 426 | C | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -75.1 | -39 | 178 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | L14 K17 L18 C70 R73 L421 S424 | L14-C426 HydrophobicContact CD1-CB 4.43Å; K17-C426 VanDerWaalsContact CB-SG 3.5Å; L18-C426 HydrophobicContact CD2-CB 3.81Å; C70-C426 PolarHBondContact SG-O 2.88Å; R73-C426 PolarHBondContact NH2-O 3.08Å; L421-C426 HydrophobicContact CD2-CB 3.81Å; L421-C426 PolarHBondContact O-N 3.48Å; S424-C426 PolarHBondContact O-N 3.27Å; S424-C426 PolarHBondContact OG-SG 2.64Å |
| 427 | L | 94.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -102.2 | 132.1 | 173.7 | -174.5 | 69.3 | 0 | 0 | 0 | 108.7 | A66 C70 I418 L421 L422 D431 L432 | A66-L427 HydrophobicContact CB-CD1 4.13Å; A66-L427 HydrophobicContact CB-CD2 3.95Å; A66-L427 WeakPolarHBondContact O-CD1 3.4Å; C70-L427 VanDerWaalsContact SG-CD1 3.53Å; I418-L427 HydrophobicContact CG2-CD2 4.07Å; L421-L427 HydrophobicContact CB-CB 3.77Å; L421-L427 HydrophobicContact CB-CD2 4.33Å; L421-L427 PolarHBondContact O-N 2.76Å; L422-L427 HydrophobicContact CD2-CB 4.15Å; L422-L427 HydrophobicContact CD2-CD2 4.06Å; L422-L427 HydrophobicContact CD2-CG 4.01Å; L422-L427 WeakPolarHBondContact CD2-O 3.47Å; L422-L427 HydrophobicContact CG-CB 4.45Å; L422-L427 HydrophobicContact CG-CD2 4.09Å; L422-L427 HydrophobicContact CG-CG 4.49Å; L427-D431 HydrophobicContact CD1-CB 3.51Å; L427-D431 HydrophobicContact CG-CB 4.42Å; L427-L432 HydrophobicContact CD2-CB 4.09Å; L427-L432 HydrophobicContact CD2-CD1 4.19Å; L427-L432 HydrophobicContact CD2-CD2 4.12Å; L427-L432 HydrophobicContact CD2-CG 4.35Å; L427-L432 HydrophobicContact CG-CB 4.38Å |
| 428 | L | 92.8 | Very high | 92 | Very high | 69 Ų | 69 | 19.6 Ų | 19.6 | 36% | 0.361 | 12% | 0.121 | S | C | . | . | trans | -96.1 | 151.8 | 175.1 | -57.1 | 177.5 | 0 | 0 | 0 | 109.8 | S430 D431 L432 | L428-S430 PolarHBondContact O-N 3.26Å; L428-S430 VanDerWaalsContact O-N 3.12Å; L428-D431 WeakPolarHBondContact CA-OD2 3.37Å; L428-D431 VanDerWaalsContact CB-OD2 3.27Å; L428-D431 WeakPolarHBondContact CB-OD2 3.33Å; L428-D431 PolarHBondContact N-OD2 3.42Å; L428-D431 WeakPolarHBondContact O-CB 3.39Å; L428-D431 PolarHBondContact O-N 3.42Å; L428-L432 PolarHBondContact O-N 3.15Å | ||
| 429 | P | 91.4 | Very high | 90.3 | Very high | 36 Ų | 36 | 20.3 Ų | 20.3 | 23% | 0.234 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.6 | -30.9 | 174.6 | -30.7 | 37.8 | 0 | 0 | 0 | 114.8 | L345 D431 D433 R438 | L345-P429 HydrophobicContact CD2-CB 3.54Å; L345-P429 HydrophobicContact CD2-CG 4.1Å; P429-D431 VanDerWaalsContact C-N 3.35Å; P429-D433 PolarHBondContact O-N 2.91Å; P429-R438 PolarHBondContact O-NH1 2.89Å |
| 430 | S | 90 | Very high | 88.4 | Confident | 63 Ų | 63 | 22.9 Ų | 22.9 | 44% | 0.441 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -72.8 | -25.1 | 176.6 | 50 | 0 | 0 | 0 | 0 | 113.6 | L428 P434 | L428-S430 PolarHBondContact O-N 3.26Å; L428-S430 VanDerWaalsContact O-N 3.12Å; S430-P434 WeakPolarHBondContact O-CA 3.27Å |
| 431 | D | 92.6 | Very high | 86.3 | Confident | 15 Ų | 15 | 25.3 Ų | 25.3 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74.7 | -38.7 | 179.4 | -55.6 | -37.9 | 0 | 0 | 0 | 111.3 | W65 Q69 R73 L427 L428 P429 | W65-D431 WeakPolarHBondContact CH2-O 3.29Å; Q69-D431 HydrophobicContact CB-CB 3.92Å; Q69-D431 PolarHBondContact NE2-O 3.47Å; R73-D431 IonicContact CZ-OD2 3.65Å; R73-D431 IonicContact NH1-OD1 3.57Å; R73-D431 PolarHBondContact NH1-OD1 3.24Å; R73-D431 IonicContact NH1-OD2 2.86Å; R73-D431 PolarHBondContact NH1-OD2 2.8Å; R73-D431 IonicContact NH2-OD2 2.95Å; L427-D431 HydrophobicContact CD1-CB 3.51Å; L427-D431 HydrophobicContact CG-CB 4.42Å; L428-D431 WeakPolarHBondContact CA-OD2 3.37Å; L428-D431 VanDerWaalsContact CB-OD2 3.27Å; L428-D431 WeakPolarHBondContact CB-OD2 3.33Å; L428-D431 PolarHBondContact N-OD2 3.42Å; L428-D431 WeakPolarHBondContact O-CB 3.39Å; L428-D431 PolarHBondContact O-N 3.42Å; P429-D431 VanDerWaalsContact C-N 3.35Å |
| 432 | L | 94.5 | Very high | 84 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -85.7 | -18.9 | -175.3 | -171.9 | 61.7 | 0 | 0 | 0 | 113.2 | W65 A66 Q153 W271 I341 I418 L422 L427 L428 | W65-L432 HydrophobicContact CZ3-CD1 4.22Å; A66-L432 HydrophobicContact CB-CD1 4.17Å; Q153-L432 PolarHBondContact OE1-O 3.42Å; W271-L432 HydrophobicContact CD2-CD2 4.41Å; W271-L432 HydrophobicContact CZ2-CD1 3.8Å; W271-L432 HydrophobicContact CZ2-CD2 4.27Å; W271-L432 HydrophobicContact CZ2-CG 4.26Å; I341-L432 HydrophobicContact CG2-CD2 4.23Å; I418-L432 HydrophobicContact CG2-CD1 4.17Å; I418-L432 HydrophobicContact CG2-CD2 3.63Å; L422-L432 HydrophobicContact CD1-CD2 4.04Å; L427-L432 HydrophobicContact CD2-CB 4.09Å; L427-L432 HydrophobicContact CD2-CD1 4.19Å; L427-L432 HydrophobicContact CD2-CD2 4.12Å; L427-L432 HydrophobicContact CD2-CG 4.35Å; L427-L432 HydrophobicContact CG-CB 4.38Å; L428-L432 PolarHBondContact O-N 3.15Å |
| 433 | D | 92.3 | Very high | 81.2 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | trans | -139.1 | 66 | 178.6 | -179.1 | 24.5 | 0 | 0 | 0 | 110.4 | P429 I435 G436 R437 R438 | P429-D433 PolarHBondContact O-N 2.91Å; D433-I435 VanDerWaalsContact C-N 3.26Å; D433-I435 PolarHBondContact O-N 2.83Å; D433-G436 PolarHBondContact O-N 2.91Å; D433-G436 VanDerWaalsContact O-N 3.09Å; D433-G436 PolarHBondContact OD1-N 3.41Å; D433-R437 VanDerWaalsContact CG-N 3.29Å; D433-R437 WeakPolarHBondContact OD1-CG 3.36Å; D433-R437 PolarHBondContact OD1-N 3.11Å; D433-R437 PolarHBondContact OD2-N 3.27Å; D433-R438 PolarHBondContact OD2-N 2.72Å | ||
| 434 | P | 90 | Very high | 78.3 | Confident | 36 Ų | 36 | 40 Ų | 40 | 23% | 0.234 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.6 | -173.1 | 29.9 | -37.2 | 0 | 0 | 0 | 112.9 | W65 Q153 S430 G436 | W65-P434 HydrophobicContact CH2-CG 4.27Å; W65-P434 HydrophobicContact CZ2-CG 4.17Å; Q153-P434 HydrophobicContact CB-CG 4.42Å; S430-P434 WeakPolarHBondContact O-CA 3.27Å; P434-G436 VanDerWaalsContact C-N 3.27Å; P434-G436 PolarHBondContact O-N 3.27Å |
| 435 | I | 87.7 | Confident | 75.5 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6 | 174.8 | 61.1 | 172.5 | 0 | 0 | 0 | 113.1 | V152 Q153 H156 D433 R437 | V152-I435 HydrophobicContact CG1-CD1 4.02Å; V152-I435 HydrophobicContact CG1-CG2 4.27Å; Q153-I435 HydrophobicContact CG-CD1 3.78Å; Q153-I435 HydrophobicContact CG-CG1 3.92Å; H156-I435 HydrophobicContact CB-CG2 3.75Å; D433-I435 VanDerWaalsContact C-N 3.26Å; D433-I435 PolarHBondContact O-N 2.83Å; I435-R437 HydrophobicContact CD1-CG 3.81Å; I435-R437 HydrophobicContact CG1-CG 3.67Å; I435-R437 PolarHBondContact O-N 3.2Å |
| 436 | G | 85 | Confident | 72.5 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | trans | 64 | 42.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D433 P434 | D433-G436 PolarHBondContact O-N 2.91Å; D433-G436 VanDerWaalsContact O-N 3.09Å; D433-G436 PolarHBondContact OD1-N 3.41Å; P434-G436 VanDerWaalsContact C-N 3.27Å; P434-G436 PolarHBondContact O-N 3.27Å | ||
| 437 | R | 84 | Confident | 69.4 | Low | 14 Ų | 14 | 53.2 Ų | 53.2 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | trans | -71.4 | -29.7 | -178.1 | -52.9 | -167 | 70.8 | -146.7 | -15.9 | 113.3 | A213 S217 P272 A273 Y274 D433 I435 | A213-R437 PolarHBondContact O-NH2 3.45Å; A213-R437 VanDerWaalsContact O-NH2 3.16Å; S217-R437 PolarHBondContact OG-NE 3.49Å; P272-R437 PolarHBondContact O-NH1 3.14Å; A273-R437 PolarHBondContact O-NH1 3.1Å; A273-R437 PolarHBondContact O-NH2 3.26Å; Y274-R437 HydrophobicContact CD2-CB 4.05Å; D433-R437 VanDerWaalsContact CG-N 3.29Å; D433-R437 WeakPolarHBondContact OD1-CG 3.36Å; D433-R437 PolarHBondContact OD1-N 3.11Å; D433-R437 PolarHBondContact OD2-N 3.27Å; I435-R437 HydrophobicContact CD1-CG 3.81Å; I435-R437 HydrophobicContact CG1-CG 3.67Å; I435-R437 PolarHBondContact O-N 3.2Å | ||
| 438 | R | 78.1 | Confident | 66.4 | Low | 34 Ų | 34 | 58.6 Ų | 58.6 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -59.2 | 141.4 | -177.7 | 68 | 172.6 | -177 | -97.9 | 3.1 | 112.3 | Y274 L345 P429 D433 S440 H441 | Y274-R438 HydrophobicContact CD2-CB 4.44Å; Y274-R438 HydrophobicContact CE1-CB 4.38Å; Y274-R438 HydrophobicContact CE2-CB 3.9Å; L345-R438 WeakPolarHBondContact O-CD 3.49Å; P429-R438 PolarHBondContact O-NH1 2.89Å; D433-R438 PolarHBondContact OD2-N 2.72Å; R438-S440 VanDerWaalsContact C-N 3.31Å; R438-S440 PolarHBondContact O-N 3.03Å; R438-H441 HydrophobicContact CG-CB 3.94Å; R438-H441 PolarHBondContact O-N 3.46Å |
| 439 | P | 64.3 | Low | 63.3 | Low | 14 Ų | 14 | 61.8 Ų | 61.8 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.1 | -41 | -177.6 | -25.3 | 33.5 | 0 | 0 | 0 | 113.8 | Y274 C277 H441 R442 F443 | Y274-P439 HydrophobicContact CD1-CG 4.41Å; C277-P439 HydrophobicContact CB-CB 4.38Å; C277-P439 HydrophobicContact CB-CG 4.19Å; P439-H441 PolarHBondContact O-N 3.19Å; P439-H441 VanDerWaalsContact O-N 3.13Å; P439-R442 PolarHBondContact O-N 2.94Å; P439-R442 VanDerWaalsContact O-N 3.11Å; P439-F443 WeakPolarHBondContact O-CD2 3.33Å |
| 440 | S | 57.6 | Low | 60.3 | Low | 55 Ų | 55 | 67.9 Ų | 67.9 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.2 | -20.6 | -174.9 | -44.4 | 0 | 0 | 0 | 0 | 113.7 | N346 R438 | N346-S440 PolarHBondContact OD1-OG 3.2Å; N346-S440 VanDerWaalsContact OD1-OG 3.13Å; R438-S440 VanDerWaalsContact C-N 3.31Å; R438-S440 PolarHBondContact O-N 3.03Å |
| 441 | H | 53 | Low | 57.3 | Low | 66 Ų | 66 | 67.4 Ų | 67.4 | 31% | 0.306 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -79.4 | -27 | 177.3 | -166.4 | -98.4 | 0 | 0 | 0 | 112.9 | R438 P439 F443 | R438-H441 HydrophobicContact CG-CB 3.94Å; R438-H441 PolarHBondContact O-N 3.46Å; P439-H441 PolarHBondContact O-N 3.19Å; P439-H441 VanDerWaalsContact O-N 3.13Å; H441-F443 VanDerWaalsContact C-N 3.32Å; H441-F443 PolarHBondContact O-N 2.95Å |
| 442 | R | 49.7 | Very low | 54.3 | Low | 91 Ų | 91 | 72.4 Ų | 72.4 | 34% | 0.343 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -76 | -18.5 | -178.6 | -60.1 | -168 | -147.1 | -161.9 | 1.5 | 114.1 | C277 P439 | C277-R442 PolarHBondContact SG-NH2 3.47Å; P439-R442 PolarHBondContact O-N 2.94Å; P439-R442 VanDerWaalsContact O-N 3.11Å |
| 443 | F | 36.5 | Very low | 51.8 | Low | 173 Ų | 173 | 75.3 Ų | 75.3 | 76% | 0.759 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -95.2 | -16.7 | -178.8 | -66.4 | -76.6 | 0 | 0 | 0 | 113.6 | P439 H441 G445 | P439-F443 WeakPolarHBondContact O-CD2 3.33Å; H441-F443 VanDerWaalsContact C-N 3.32Å; H441-F443 PolarHBondContact O-N 2.95Å; F443-G445 PolarHBondContact O-N 3.03Å |
| 444 | S | 34 | Very low | 49.8 | Very low | 79 Ų | 79 | 80.3 Ų | 80.3 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -79.8 | 105.2 | 171.1 | -169.2 | 0 | 0 | 0 | 0 | 108.1 | M446 | S444-M446 PolarHBondContact O-N 3.19Š|
| 445 | G | 32.8 | Very low | 48.1 | Very low | 89 Ų | 89 | 80.4 Ų | 80.4 | 92% | 0.918 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -66.9 | 31.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | F443 | F443-G445 PolarHBondContact O-N 3.03Š|
| 446 | M | 28 | Very low | 46.4 | Very low | 171 Ų | 171 | 81.6 Ų | 81.6 | 84% | 0.842 | 47% | 0.474 | S | S | * | . | trans | -140.7 | 35.3 | -166.4 | -148.7 | 144.9 | 78 | 0 | 0 | 114.7 | S444 | S444-M446 PolarHBondContact O-N 3.19Š| ||
| 447 | S | 28.5 | Very low | 44.9 | Very low | 82 Ų | 82 | 83.6 Ų | 83.6 | 57% | 0.573 | 49% | 0.487 | S | S | * | . | trans | -148.7 | 95.7 | 166.3 | -168.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 448 | S | 31.7 | Very low | 43 | Very low | 116 Ų | 116 | 84.8 Ų | 84.8 | 81% | 0.811 | 50% | 0.503 | S | S | * | . | trans | -164.6 | 32.5 | 149.3 | 78.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 449 | T | 28.2 | Very low | 41.6 | Very low | 136 Ų | 136 | 90.3 Ų | 90.3 | 83% | 0.834 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -91.6 | -4.4 | -178.4 | 31.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 450 | L | 27.5 | Very low | 40.9 | Very low | 164 Ų | 164 | 95 Ų | 95 | 86% | 0.859 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -134.8 | 120.9 | 171.8 | -99.9 | 92.9 | 0 | 0 | 0 | 111.1 | ||
| 451 | G | 27.5 | Very low | 40.7 | Very low | 52 Ų | 52 | 98.2 Ų | 98.2 | 54% | 0.536 | 57% | 0.572 | S | S | . | * | S | Bend | trans | 76.6 | 102.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 452 | N | 30 | Very low | 41.5 | Very low | 121 Ų | 121 | 101.3 Ų | 101.3 | 65% | 0.647 | 59% | 0.591 | S | S | * | * | trans | 44.1 | 133.1 | 143.2 | -81.4 | 13.6 | 0 | 0 | 0 | 120.6 | ||||
| 453 | E | 41.9 | Very low | 43.2 | Very low | 60 Ų | 60 | 97.8 Ų | 97.8 | 28% | 0.28 | 58% | 0.579 | S | S | . | * | trans | 75.8 | 60.2 | 138.4 | -60 | 163.7 | -158 | 0 | 0 | 118.6 | G220 F221 N222 | G220-E453 WeakPolarHBondContact O-CG 3.17Å; F221-E453 WeakPolarHBondContact CA-OE2 3.29Å; N222-E453 PolarHBondContact N-OE2 3.34Å | ||
| 454 | L | 49.2 | Very low | 45.9 | Very low | 110 Ų | 110 | 91.2 Ų | 91.2 | 58% | 0.576 | 55% | 0.553 | S | S | * | * | trans | -122.1 | 105.3 | 141.2 | -74.3 | 169.7 | 0 | 0 | 0 | 108.1 | F456 | L454-F456 PolarHBondContact O-N 3.24Š| ||
| 455 | L | 54 | Low | 48.9 | Very low | 39 Ų | 39 | 87.4 Ų | 87.4 | 20% | 0.204 | 53% | 0.527 | C | S | . | . | trans | -58 | -18.5 | -178.4 | -80.5 | 176.5 | 0 | 0 | 0 | 113.5 | A219 L581 R582 F634 | A219-L455 HydrophobicContact CB-CB 4.29Å; A219-L455 HydrophobicContact CB-CD1 3.95Å; A219-L455 WeakPolarHBondContact O-CD1 3.33Å; A219-L455 WeakPolarHBondContact O-CG 3.3Å; L455-L581 HydrophobicContact CB-CD2 4.32Å; L455-L581 CarbonylContact O-C 3.35Å; L455-L581 WeakPolarHBondContact O-CA 2.86Å; L455-R582 PolarHBondContact O-N 3.45Å; L455-R582 VanDerWaalsContact O-N 3.14Å; L455-F634 HydrophobicContact CD2-CE2 3.81Å; L455-F634 HydrophobicContact CD2-CZ 3.73Å | ||
| 456 | F | 53.7 | Low | 51.9 | Low | 38 Ų | 38 | 83.3 Ų | 83.3 | 17% | 0.167 | 48% | 0.484 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 123.6 | -171 | -66.6 | -71.5 | 0 | 0 | 0 | 114 | E216 A219 M236 L454 R580 L581 | E216-F456 HydrophobicContact CB-CE2 4.25Å; E216-F456 HydrophobicContact CG-CD2 4.49Å; E216-F456 HydrophobicContact CG-CE2 4Å; E216-F456 HydrophobicContact CG-CZ 4.39Å; A219-F456 HydrophobicContact CB-CD2 4.23Å; A219-F456 HydrophobicContact CB-CE2 3.56Å; A219-F456 HydrophobicContact CB-CZ 4.4Å; M236-F456 HydrophobicContact CE-CE2 3.66Å; M236-F456 HydrophobicContact CE-CZ 3.52Å; L454-F456 PolarHBondContact O-N 3.24Å; F456-R580 CarbonylContact C-O 3.56Å; F456-R580 VanDerWaalsContact CA-O 3.25Å; F456-R580 WeakPolarHBondContact CA-O 3.33Å; F456-R580 HydrophobicContact CD1-CB 3.6Å; F456-R580 HydrophobicContact CE1-CB 4.22Å; F456-L581 HydrophobicContact CE1-CD2 4.31Å |
| 457 | S | 51.6 | Low | 55.2 | Low | 52 Ų | 52 | 75.1 Ų | 75.1 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | trans | -76.7 | 127.5 | 170.4 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | K459 R580 | S457-K459 PolarHBondContact O-N 2.75Å; S457-R580 PolarHBondContact N-O 3.08Å | ||
| 458 | G | 45.5 | Very low | 58.5 | Low | 38 Ų | 38 | 71.2 Ų | 71.2 | 39% | 0.392 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -77.5 | -9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 459 | K | 47.4 | Very low | 61.6 | Low | 150 Ų | 150 | 66.2 Ų | 66.2 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -104.6 | 137.2 | 179.7 | -86.6 | -180 | 175.6 | 175.9 | 0 | 111.6 | S457 M461 | S457-K459 PolarHBondContact O-N 2.75Å; K459-M461 HydrophobicContact CB-CE 4.49Å; K459-M461 HydrophobicContact CB-CG 4.4Å; K459-M461 HydrophobicContact CD-CE 4.46Å; K459-M461 PolarHBondContact O-N 3.2Å |
| 460 | S | 50 | Low | 64.8 | Low | 112 Ų | 112 | 59.7 Ų | 59.7 | 78% | 0.783 | 34% | 0.34 | S | S | * | . | trans | -65.5 | 85.2 | 161.2 | 59.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 461 | M | 54.2 | Low | 68.1 | Low | 123 Ų | 123 | 51.9 Ų | 51.9 | 61% | 0.606 | 30% | 0.299 | S | S | * | . | trans | -72.8 | 145.9 | 168.8 | -65.4 | -122 | 143.9 | 0 | 0 | 108 | K459 V463 | K459-M461 HydrophobicContact CB-CE 4.49Å; K459-M461 HydrophobicContact CB-CG 4.4Å; K459-M461 HydrophobicContact CD-CE 4.46Å; K459-M461 PolarHBondContact O-N 3.2Å; M461-V463 WeakPolarHBondContact O-CG2 3.42Å; M461-V463 PolarHBondContact O-N 2.94Å | ||
| 462 | N | 69.4 | Low | 71.2 | Confident | 132 Ų | 132 | 50.3 Ų | 50.3 | 71% | 0.706 | 28% | 0.278 | S | S | * | . | trans | -60.5 | 91.5 | 161.4 | -81.1 | -6.6 | 0 | 0 | 0 | 107.1 | T464 | N462-T464 PolarHBondContact O-N 2.92Å; N462-T464 VanDerWaalsContact O-N 3.09Å | ||
| 463 | V | 86.2 | Confident | 74.1 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | trans | -65.6 | 112.4 | -176.8 | 176.5 | 0 | 0 | 0 | 0 | 107.1 | M461 I465 W579 P585 | M461-V463 WeakPolarHBondContact O-CG2 3.42Å; M461-V463 PolarHBondContact O-N 2.94Å; V463-I465 HydrophobicContact CG1-CG1 4.48Å; V463-W579 HydrophobicContact CG1-CB 4.16Å; V463-W579 HydrophobicContact CG1-CG 4.45Å; V463-P585 HydrophobicContact CG1-CG 3.6Å | ||
| 464 | T | 93 | Very high | 76.5 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 118.5 | 171.2 | -48.3 | 0 | 0 | 0 | 0 | 109.1 | N462 H620 V622 | N462-T464 PolarHBondContact O-N 2.92Å; N462-T464 VanDerWaalsContact O-N 3.09Å; T464-H620 WeakPolarHBondContact CA-O 3.39Å; T464-H620 HydrophobicContact CG2-CB 4.4Å; T464-V622 HydrophobicContact CG2-CB 4.18Å; T464-V622 HydrophobicContact CG2-CG1 3.89Å |
| 465 | I | 95.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.9 | 180 | -55.4 | 159.3 | 0 | 0 | 0 | 108.9 | V463 V467 F572 L575 P585 F587 A619 H620 V621 V622 | V463-I465 HydrophobicContact CG1-CG1 4.48Å; I465-V467 HydrophobicContact CG2-CG2 4.13Å; I465-F572 HydrophobicContact CD1-CB 3.79Å; I465-F572 HydrophobicContact CD1-CD1 4.41Å; I465-F572 HydrophobicContact CD1-CG 4.33Å; I465-F572 WeakPolarHBondContact CD1-O 3.4Å; I465-F572 HydrophobicContact CG2-CD1 4.37Å; I465-L575 HydrophobicContact CD1-CB 3.91Å; I465-L575 HydrophobicContact CG1-CB 4.11Å; I465-L575 HydrophobicContact CG2-CD1 4Å; I465-P585 HydrophobicContact CB-CG 4.39Å; I465-P585 HydrophobicContact CG1-CG 3.96Å; I465-P585 HydrophobicContact CG2-CG 4.5Å; I465-F587 HydrophobicContact CG2-CB 4.08Å; I465-A619 HydrophobicContact CD1-CB 4.08Å; I465-H620 PolarHBondContact N-O 3.06Å; I465-V621 HydrophobicContact CB-CG1 4.27Å; I465-V621 HydrophobicContact CD1-CG1 4.49Å; I465-V621 CarbonylContact O-C 3.53Å; I465-V621 WeakPolarHBondContact O-CA 3.09Å; I465-V622 PolarHBondContact O-N 3.46Å |
| 466 | Q | 96.8 | Very high | 80.3 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 118.5 | 177.5 | -64.3 | 172.9 | -24.2 | 0 | 0 | 108.6 | R584 P585 T586 F587 V622 F629 S632 | Q466-R584 HydrophobicContact CG-CB 4.15Å; Q466-P585 WeakPolarHBondContact CB-O 3.38Å; Q466-P585 PolarHBondContact N-O 3.08Å; Q466-T586 HydrophobicContact CB-CG2 4.24Å; Q466-T586 CarbonylContact O-C 3.57Å; Q466-T586 VanDerWaalsContact O-CA 3.26Å; Q466-T586 WeakPolarHBondContact O-CA 3.2Å; Q466-T586 PolarHBondContact OE1-OG1 3.09Å; Q466-F587 PolarHBondContact O-N 2.98Å; Q466-V622 HydrophobicContact CB-CG1 4.42Å; Q466-V622 HydrophobicContact CG-CG1 3.95Å; Q466-F629 HydrophobicContact CB-CB 4.46Å; Q466-F629 HydrophobicContact CB-CD1 4.07Å; Q466-F629 HydrophobicContact CB-CD2 3.69Å; Q466-F629 HydrophobicContact CB-CE1 4.16Å; Q466-F629 HydrophobicContact CB-CE2 3.76Å; Q466-F629 HydrophobicContact CB-CG 3.84Å; Q466-F629 HydrophobicContact CB-CZ 4.01Å; Q466-F629 HydrophobicContact CG-CD1 3.81Å; Q466-F629 HydrophobicContact CG-CD2 4.35Å; Q466-F629 HydrophobicContact CG-CE1 3.92Å; Q466-F629 HydrophobicContact CG-CE2 4.42Å; Q466-F629 HydrophobicContact CG-CG 4.05Å; Q466-F629 HydrophobicContact CG-CZ 4.21Å; Q466-S632 PolarHBondContact NE2-OG 3.44Å |
| 467 | V | 97.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.2 | -176.4 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | I465 L469 F572 F587 F589 M611 V621 V622 L623 G624 | I465-V467 HydrophobicContact CG2-CG2 4.13Å; V467-L469 HydrophobicContact CG1-CD2 3.91Å; V467-F572 HydrophobicContact CG2-CE1 3.97Å; V467-F572 HydrophobicContact CG2-CZ 3.88Å; V467-F587 WeakPolarHBondContact CA-O 3.35Å; V467-F587 HydrophobicContact CG1-CD1 4.38Å; V467-F587 HydrophobicContact CG2-CB 4.32Å; V467-F589 HydrophobicContact CG1-CB 4.42Å; V467-M611 HydrophobicContact CG1-SD 4.22Å; V467-V621 HydrophobicContact CG2-CB 4.33Å; V467-V621 HydrophobicContact CG2-CG1 4.3Å; V467-V622 PolarHBondContact N-O 2.96Å; V467-L623 HydrophobicContact CB-CD2 3.86Å; V467-L623 HydrophobicContact CG1-CD2 3.83Å; V467-L623 WeakPolarHBondContact O-CA 3.07Å; V467-G624 PolarHBondContact O-N 2.82Å; V467-G624 VanDerWaalsContact O-N 3.13Å |
| 468 | V | 97 | Very high | 84.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.9 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | I470 L544 T586 F587 F589 A626 F629 | V468-I470 HydrophobicContact CG1-CD1 3.58Å; V468-I470 HydrophobicContact CG1-CG1 4.08Å; V468-L544 HydrophobicContact CB-CD2 4.48Å; V468-L544 HydrophobicContact CG2-CD2 4.3Å; V468-T586 HydrophobicContact CG2-CG2 3.91Å; V468-F587 PolarHBondContact N-O 3.3Å; V468-F589 PolarHBondContact O-N 3.32Å; V468-A626 HydrophobicContact CG1-CB 3.96Å; V468-A626 HydrophobicContact CG2-CB 4.24Å; V468-F629 HydrophobicContact CG2-CD2 3.83Å; V468-F629 HydrophobicContact CG2-CE2 4.32Å |
| 469 | L | 97.1 | Very high | 86.2 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.3 | 177.5 | -54.4 | -179.1 | 0 | 0 | 0 | 110 | V467 I485 T487 Q488 F589 L608 M611 L623 | V467-L469 HydrophobicContact CG1-CD2 3.91Å; L469-I485 HydrophobicContact CD1-CG2 3.96Å; L469-T487 HydrophobicContact CB-CG2 3.75Å; L469-T487 HydrophobicContact CD1-CG2 4.44Å; L469-T487 CarbonylContact O-C 3.51Å; L469-T487 WeakPolarHBondContact O-CA 3.07Å; L469-T487 WeakPolarHBondContact O-CB 3.46Å; L469-Q488 PolarHBondContact O-N 3.05Å; L469-F589 HydrophobicContact CD2-CB 3.73Å; L469-F589 HydrophobicContact CD2-CG 4.21Å; L469-L608 HydrophobicContact CD2-CD2 4.15Å; L469-M611 HydrophobicContact CD2-CE 4.29Å; L469-L623 HydrophobicContact CD1-CD1 4.49Å; L469-L623 HydrophobicContact CD1-CD2 4.19Å; L469-L623 HydrophobicContact CD2-CD2 4.25Å; L469-L623 HydrophobicContact CG-CD2 4.15Å |
| 470 | I | 96.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.3 | -179.9 | -57.1 | -54.3 | 0 | 0 | 0 | 109.9 | V468 Q488 P490 V493 I498 F589 L590 M591 L654 | V468-I470 HydrophobicContact CG1-CD1 3.58Å; V468-I470 HydrophobicContact CG1-CG1 4.08Å; I470-Q488 CarbonylContact C-O 3.56Å; I470-Q488 VanDerWaalsContact CA-O 3.26Å; I470-Q488 WeakPolarHBondContact CA-O 3.22Å; I470-Q488 HydrophobicContact CD1-CB 4.05Å; I470-P490 HydrophobicContact CG2-CG 4.44Å; I470-V493 HydrophobicContact CD1-CG2 3.52Å; I470-I498 HydrophobicContact CG1-CD1 4.44Å; I470-I498 HydrophobicContact CG1-CG1 4.46Å; I470-F589 PolarHBondContact N-O 2.96Å; I470-L590 HydrophobicContact CB-CD1 4.18Å; I470-L590 HydrophobicContact CG2-CD1 3.88Å; I470-L590 CarbonylContact O-C 3.59Å; I470-M591 PolarHBondContact O-N 3.29Å; I470-L654 HydrophobicContact CG2-CD2 4.45Å |
| 471 | S | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.2 | 170.9 | -66.4 | 0 | 0 | 0 | 0 | 110.2 | S473 L480 T487 Q488 P490 | S471-S473 PolarHBondContact O-N 2.93Å; S471-L480 WeakPolarHBondContact OG-CD1 3.45Å; S471-T487 VanDerWaalsContact OG-CB 3.29Å; S471-T487 WeakPolarHBondContact OG-CB 3.09Å; S471-T487 PolarHBondContact OG-OG1 3.32Å; S471-Q488 PolarHBondContact N-O 3.22Å; S471-P490 VanDerWaalsContact O-CD 3.3Å; S471-P490 WeakPolarHBondContact O-CD 2.87Å |
| 472 | E | 92.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 9% | 0.089 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -67.5 | -23.2 | -178.5 | 74.2 | -176.4 | 174.4 | 0 | 0 | 113.6 | L590 M591 R592 E593 Q656 L657 | E472-L590 HydrophobicContact CB-CD1 4.43Å; E472-M591 PolarHBondContact N-O 3.03Å; E472-R592 VanDerWaalsContact OE1-CA 3.32Å; E472-R592 WeakPolarHBondContact OE1-CA 3.23Å; E472-R592 IonicContact OE2-CZ 3.41Å; E472-R592 IonicContact OE2-NH1 3.39Å; E472-R592 PolarHBondContact OE2-NH1 3.31Å; E472-E593 HydrophobicContact CG-CG 4.19Å; E472-E593 WeakPolarHBondContact OE1-CB 3.47Å; E472-E593 WeakPolarHBondContact OE1-CG 3.17Å; E472-E593 PolarHBondContact OE1-N 3.32Å; E472-Q656 CarbonylContact O-C 3.5Å; E472-Q656 WeakPolarHBondContact O-CA 3.42Å; E472-L657 HydrophobicContact CG-CB 4.31Å; E472-L657 HydrophobicContact CG-CD2 4.43Å; E472-L657 PolarHBondContact O-N 3.47Å |
| 473 | S | 92.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -130.1 | 157.7 | 177.6 | 84.4 | 0 | 0 | 0 | 0 | 112.7 | S471 R475 L476 Q477 E593 L657 | S471-S473 PolarHBondContact O-N 2.93Å; S473-R475 VanDerWaalsContact C-N 3.29Å; S473-R475 PolarHBondContact OG-N 3.2Å; S473-L476 PolarHBondContact O-N 2.55Å; S473-L476 WeakPolarHBondContact OG-CB 3.39Å; S473-L476 PolarHBondContact OG-N 2.92Å; S473-Q477 PolarHBondContact O-N 2.88Å; S473-Q477 VanDerWaalsContact O-N 3.13Å; S473-E593 VanDerWaalsContact OG-CD 3.26Å; S473-E593 PolarHBondContact OG-OE1 2.75Å; S473-L657 WeakPolarHBondContact CB-O 3.49Å |
| 474 | V | 92.9 | Very high | 93.3 | Very high | 52 Ų | 52 | 28.6 Ų | 28.6 | 32% | 0.315 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.3 | -36.1 | 171.9 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | Q477 Q478 T489 | V474-Q477 WeakPolarHBondContact O-CB 3.38Å; V474-Q477 PolarHBondContact O-N 2.56Å; V474-Q478 HydrophobicContact CG1-CG 4.44Å; V474-Q478 WeakPolarHBondContact O-CG 3.49Å; V474-Q478 PolarHBondContact O-N 2.86Å; V474-T489 HydrophobicContact CG2-CG2 4.04Å |
| 475 | R | 90.6 | Very high | 93.3 | Very high | 74 Ų | 74 | 27.1 Ų | 27.1 | 28% | 0.279 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 178.3 | -170.9 | -169.4 | 70.1 | 86 | -11.4 | 110.8 | S473 Q477 Q478 V479 E593 | S473-R475 VanDerWaalsContact C-N 3.29Å; S473-R475 PolarHBondContact OG-N 3.2Å; R475-Q477 PolarHBondContact O-N 2.84Å; R475-Q478 PolarHBondContact O-N 2.73Å; R475-V479 WeakPolarHBondContact O-CG2 3.39Å; R475-V479 PolarHBondContact O-N 2.84Å; R475-E593 IonicContact CZ-OE1 3.29Å; R475-E593 VanDerWaalsContact CZ-OE1 3.24Å; R475-E593 IonicContact CZ-OE2 3.43Å; R475-E593 VanDerWaalsContact CZ-OE2 3.28Å; R475-E593 IonicContact NE-OE1 3.04Å; R475-E593 PolarHBondContact NE-OE1 2.83Å; R475-E593 IonicContact NE-OE2 3.96Å; R475-E593 IonicContact NH2-OE1 2.88Å; R475-E593 PolarHBondContact NH2-OE1 3.38Å; R475-E593 IonicContact NH2-OE2 2.82Å; R475-E593 PolarHBondContact NH2-OE2 3.02Å |
| 476 | L | 91.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 177 | -177.6 | 57.2 | 0 | 0 | 0 | 111.7 | S473 Q478 V479 L480 M591 V596 | S473-L476 PolarHBondContact O-N 2.55Å; S473-L476 WeakPolarHBondContact OG-CB 3.39Å; S473-L476 PolarHBondContact OG-N 2.92Å; L476-Q478 VanDerWaalsContact C-N 3.29Å; L476-Q478 PolarHBondContact O-N 2.92Å; L476-V479 PolarHBondContact O-N 3.29Å; L476-L480 HydrophobicContact CD1-CD1 4.07Å; L476-L480 HydrophobicContact CD1-CG 4.23Å; L476-L480 HydrophobicContact CG-CD1 3.89Å; L476-L480 WeakPolarHBondContact O-CG 3.34Å; L476-L480 PolarHBondContact O-N 3.34Å; L476-M591 VanDerWaalsContact CD2-C 3.49Å; L476-M591 HydrophobicContact CD2-CB 3.85Å; L476-M591 VanDerWaalsContact CD2-O 3.27Å; L476-M591 WeakPolarHBondContact CD2-O 3.38Å; L476-V596 HydrophobicContact CD1-CG1 3.54Å; L476-V596 HydrophobicContact CD1-CG2 4.1Å |
| 477 | Q | 94.1 | Very high | 93.2 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.7 | -45.5 | 174.3 | 172.8 | 179.9 | 60.7 | 0 | 0 | 111.5 | S473 V474 R475 L480 A481 T487 T489 | S473-Q477 PolarHBondContact O-N 2.88Å; S473-Q477 VanDerWaalsContact O-N 3.13Å; V474-Q477 WeakPolarHBondContact O-CB 3.38Å; V474-Q477 PolarHBondContact O-N 2.56Å; R475-Q477 PolarHBondContact O-N 2.84Å; Q477-L480 PolarHBondContact O-N 3.21Å; Q477-A481 WeakPolarHBondContact O-CB 3.43Å; Q477-A481 PolarHBondContact O-N 3.03Å; Q477-T487 PolarHBondContact NE2-O 3.38Å; Q477-T489 HydrophobicContact CB-CG2 4.2Å |
| 478 | Q | 91.6 | Very high | 93.1 | Very high | 104 Ų | 104 | 34.2 Ų | 34.2 | 49% | 0.486 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65 | -43.7 | 178.6 | -72.2 | 172.7 | -13.9 | 0 | 0 | 111.9 | V474 R475 L476 L480 A481 T482 | V474-Q478 HydrophobicContact CG1-CG 4.44Å; V474-Q478 WeakPolarHBondContact O-CG 3.49Å; V474-Q478 PolarHBondContact O-N 2.86Å; R475-Q478 PolarHBondContact O-N 2.73Å; L476-Q478 VanDerWaalsContact C-N 3.29Å; L476-Q478 PolarHBondContact O-N 2.92Å; Q478-L480 VanDerWaalsContact C-N 3.33Å; Q478-L480 PolarHBondContact O-N 2.94Å; Q478-A481 WeakPolarHBondContact O-CB 3.33Å; Q478-A481 PolarHBondContact O-N 3.34Å; Q478-T482 PolarHBondContact O-N 3.01Å |
| 479 | V | 89.6 | Confident | 93.1 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | R475 L476 A481 T482 Y483 V596 L666 L669 | R475-V479 WeakPolarHBondContact O-CG2 3.39Å; R475-V479 PolarHBondContact O-N 2.84Å; L476-V479 PolarHBondContact O-N 3.29Å; V479-A481 VanDerWaalsContact C-N 3.3Å; V479-A481 PolarHBondContact O-N 2.93Å; V479-T482 PolarHBondContact O-N 2.93Å; V479-T482 PolarHBondContact O-OG1 3.47Å; V479-Y483 HydrophobicContact CG1-CE2 4.35Å; V479-Y483 VanDerWaalsContact O-CD2 3.23Å; V479-Y483 WeakPolarHBondContact O-CD2 3.49Å; V479-V596 HydrophobicContact CG1-CG1 4.3Å; V479-L666 HydrophobicContact CG2-CD2 3.92Å; V479-L669 HydrophobicContact CG1-CD2 3.78Å; V479-L669 HydrophobicContact CG2-CD1 4.24Å; V479-L669 HydrophobicContact CG2-CD2 4.48Å |
| 480 | L | 92.4 | Very high | 93 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.6 | -32.6 | 179.4 | -68.6 | 164.2 | 0 | 0 | 0 | 112.6 | S471 L476 Q477 Q478 T482 Y483 G484 I485 T487 M591 F601 | S471-L480 WeakPolarHBondContact OG-CD1 3.45Å; L476-L480 HydrophobicContact CD1-CD1 4.07Å; L476-L480 HydrophobicContact CD1-CG 4.23Å; L476-L480 HydrophobicContact CG-CD1 3.89Å; L476-L480 WeakPolarHBondContact O-CG 3.34Å; L476-L480 PolarHBondContact O-N 3.34Å; Q477-L480 PolarHBondContact O-N 3.21Å; Q478-L480 VanDerWaalsContact C-N 3.33Å; Q478-L480 PolarHBondContact O-N 2.94Å; L480-T482 VanDerWaalsContact C-N 3.28Å; L480-T482 PolarHBondContact O-N 3.29Å; L480-Y483 PolarHBondContact O-N 3.3Å; L480-Y483 VanDerWaalsContact O-N 3.1Å; L480-G484 PolarHBondContact O-N 3.21Å; L480-I485 CarbonylContact C-O 3.58Å; L480-I485 HydrophobicContact CB-CB 4.19Å; L480-I485 HydrophobicContact CB-CG2 4.41Å; L480-I485 HydrophobicContact CD2-CD1 4.35Å; L480-I485 PolarHBondContact O-N 3.35Å; L480-T487 HydrophobicContact CD1-CG2 3.85Å; L480-M591 HydrophobicContact CD1-CB 4.29Å; L480-M591 HydrophobicContact CD1-CE 3.72Å; L480-M591 HydrophobicContact CD1-CG 4.36Å; L480-M591 HydrophobicContact CD1-SD 3.29Å; L480-M591 WeakPolarHBondContact CD1-SD 3.29Å; L480-M591 HydrophobicContact CD2-CE 3.53Å; L480-M591 HydrophobicContact CD2-SD 3.91Å; L480-M591 HydrophobicContact CG-CE 4.25Å; L480-M591 HydrophobicContact CG-SD 4.24Å; L480-F601 HydrophobicContact CD2-CE2 4.2Å; L480-F601 HydrophobicContact CD2-CZ 3.94Å |
| 481 | A | 92.7 | Very high | 92.9 | Very high | 57 Ų | 57 | 38.2 Ų | 38.2 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.9 | -31.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q477 Q478 V479 Y483 G484 I485 | Q477-A481 WeakPolarHBondContact O-CB 3.43Å; Q477-A481 PolarHBondContact O-N 3.03Å; Q478-A481 WeakPolarHBondContact O-CB 3.33Å; Q478-A481 PolarHBondContact O-N 3.34Å; V479-A481 VanDerWaalsContact C-N 3.3Å; V479-A481 PolarHBondContact O-N 2.93Å; A481-Y483 PolarHBondContact O-N 2.88Å; A481-G484 PolarHBondContact O-N 2.74Å; A481-I485 PolarHBondContact N-O 3.05Å |
| 482 | T | 90.4 | Very high | 92.9 | Very high | 93 Ų | 93 | 42.5 Ų | 42.5 | 57% | 0.571 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -65 | -22 | 175.3 | 67 | 0 | 0 | 0 | 0 | 112.7 | Q478 V479 L480 | Q478-T482 PolarHBondContact O-N 3.01Å; V479-T482 PolarHBondContact O-N 2.93Å; V479-T482 PolarHBondContact O-OG1 3.47Å; L480-T482 VanDerWaalsContact C-N 3.28Å; L480-T482 PolarHBondContact O-N 3.29Å |
| 483 | Y | 89.8 | Confident | 93 | Very high | 86 Ų | 86 | 41.6 Ų | 41.6 | 34% | 0.337 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 10.1 | 174 | -61.5 | -77.9 | 0 | 0 | 0 | 113.1 | V479 L480 A481 I485 F601 L605 | V479-Y483 HydrophobicContact CG1-CE2 4.35Å; V479-Y483 VanDerWaalsContact O-CD2 3.23Å; V479-Y483 WeakPolarHBondContact O-CD2 3.49Å; L480-Y483 PolarHBondContact O-N 3.3Å; L480-Y483 VanDerWaalsContact O-N 3.1Å; A481-Y483 PolarHBondContact O-N 2.88Å; Y483-I485 VanDerWaalsContact C-N 3.27Å; Y483-I485 PolarHBondContact O-N 3.26Å; Y483-F601 HydrophobicContact CE2-CE1 4.23Å; Y483-L605 HydrophobicContact CD1-CD1 4.06Å; Y483-L605 HydrophobicContact CD1-CD2 3.38Å; Y483-L605 HydrophobicContact CD1-CG 4.31Å; Y483-L605 HydrophobicContact CD2-CD1 3.65Å; Y483-L605 HydrophobicContact CE1-CD2 4.03Å; Y483-L605 HydrophobicContact CE2-CD1 4.29Å; Y483-L605 HydrophobicContact CG-CD1 3.51Å; Y483-L605 HydrophobicContact CG-CD2 3.67Å; Y483-L605 HydrophobicContact CG-CG 4.13Å |
| 484 | G | 90.8 | Very high | 93 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 14.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L480 A481 K612 | L480-G484 PolarHBondContact O-N 3.21Å; A481-G484 PolarHBondContact O-N 2.74Å; G484-K612 PolarHBondContact O-NZ 2.88Å |
| 485 | I | 92.7 | Very high | 93 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | trans | -92.4 | 112.5 | 176.6 | -61.1 | 170.3 | 0 | 0 | 0 | 108.5 | L469 L480 A481 Y483 T487 L605 L608 V609 | L469-I485 HydrophobicContact CD1-CG2 3.96Å; L480-I485 CarbonylContact C-O 3.58Å; L480-I485 HydrophobicContact CB-CB 4.19Å; L480-I485 HydrophobicContact CB-CG2 4.41Å; L480-I485 HydrophobicContact CD2-CD1 4.35Å; L480-I485 PolarHBondContact O-N 3.35Å; A481-I485 PolarHBondContact N-O 3.05Å; Y483-I485 VanDerWaalsContact C-N 3.27Å; Y483-I485 PolarHBondContact O-N 3.26Å; I485-T487 HydrophobicContact CG2-CG2 4.03Å; I485-L605 HydrophobicContact CD1-CD1 3.61Å; I485-L605 HydrophobicContact CD1-CG 3.78Å; I485-L608 HydrophobicContact CD1-CB 3.65Å; I485-L608 HydrophobicContact CD1-CD1 3.76Å; I485-L608 HydrophobicContact CD1-CG 4.36Å; I485-L608 HydrophobicContact CG1-CB 4.32Å; I485-L608 HydrophobicContact CG2-CB 4.49Å; I485-L608 HydrophobicContact CG2-CD1 4.32Å; I485-V609 HydrophobicContact CD1-CG2 4.47Å; I485-V609 HydrophobicContact CG1-CG2 4.31Å | ||
| 486 | I | 93.9 | Very high | 93.2 | Very high | 132 Ų | 132 | 45.2 Ų | 45.2 | 68% | 0.677 | 25% | 0.254 | S | S | * | . | trans | -90.1 | 120.8 | -179.7 | -55.3 | 174.8 | 0 | 0 | 0 | 108.5 | ||||
| 487 | T | 96 | Very high | 93.3 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | trans | -124.1 | 167.8 | 176 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | L469 S471 Q477 L480 I485 M591 | L469-T487 HydrophobicContact CB-CG2 3.75Å; L469-T487 HydrophobicContact CD1-CG2 4.44Å; L469-T487 CarbonylContact O-C 3.51Å; L469-T487 WeakPolarHBondContact O-CA 3.07Å; L469-T487 WeakPolarHBondContact O-CB 3.46Å; S471-T487 VanDerWaalsContact OG-CB 3.29Å; S471-T487 WeakPolarHBondContact OG-CB 3.09Å; S471-T487 PolarHBondContact OG-OG1 3.32Å; Q477-T487 PolarHBondContact NE2-O 3.38Å; L480-T487 HydrophobicContact CD1-CG2 3.85Å; I485-T487 HydrophobicContact CG2-CG2 4.03Å; T487-M591 HydrophobicContact CG2-SD 4.32Å | ||
| 488 | Q | 96.7 | Very high | 93.4 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -113.1 | 148.6 | 169.8 | -62.9 | 178.3 | -95.7 | 0 | 0 | 110.2 | L469 I470 S471 Q492 V493 | L469-Q488 PolarHBondContact O-N 3.05Å; I470-Q488 CarbonylContact C-O 3.56Å; I470-Q488 VanDerWaalsContact CA-O 3.26Å; I470-Q488 WeakPolarHBondContact CA-O 3.22Å; I470-Q488 HydrophobicContact CD1-CB 4.05Å; S471-Q488 PolarHBondContact N-O 3.22Å; Q488-Q492 HydrophobicContact CB-CB 4.35Å; Q488-Q492 PolarHBondContact NE2-O 2.86Å; Q488-V493 HydrophobicContact CB-CG2 3.58Å; Q488-V493 HydrophobicContact CG-CG2 4.38Å |
| 489 | T | 95.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | trans | -87 | 161 | 167.6 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | V474 Q477 V491 Q492 V493 Q656 | V474-T489 HydrophobicContact CG2-CG2 4.04Å; Q477-T489 HydrophobicContact CB-CG2 4.2Å; T489-V491 PolarHBondContact O-N 3.43Å; T489-V491 VanDerWaalsContact O-N 3.1Å; T489-Q492 VanDerWaalsContact N-OE1 3.08Å; T489-Q492 PolarHBondContact O-N 3.38Å; T489-Q492 WeakPolarHBondContact OG1-CG 3.15Å; T489-V493 WeakPolarHBondContact O-CG2 3.43Å; T489-V493 PolarHBondContact O-N 3.24Å; T489-Q656 PolarHBondContact OG1-OE1 3.47Å; T489-Q656 VanDerWaalsContact OG1-OE1 3.04Å | ||
| 490 | P | 94.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -36 | 176.6 | -29.9 | 35.5 | 0 | 0 | 0 | 113.9 | I470 S471 L654 | I470-P490 HydrophobicContact CG2-CG 4.44Å; S471-P490 VanDerWaalsContact O-CD 3.3Å; S471-P490 WeakPolarHBondContact O-CD 2.87Å; P490-L654 WeakPolarHBondContact CB-O 3.35Å; P490-L654 HydrophobicContact CG-CD2 3.88Å; P490-L654 HydrophobicContact CG-CG 3.99Å |
| 491 | V | 94.3 | Very high | 93.3 | Very high | 79 Ų | 79 | 41.7 Ų | 41.7 | 48% | 0.479 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -68.6 | -39.3 | 177.2 | 178.4 | 0 | 0 | 0 | 0 | 112 | T489 V493 E494 Q656 | T489-V491 PolarHBondContact O-N 3.43Å; T489-V491 VanDerWaalsContact O-N 3.1Å; V491-V493 PolarHBondContact O-N 3.01Å; V491-E494 WeakPolarHBondContact O-CB 3.34Å; V491-E494 WeakPolarHBondContact O-CG 3.16Å; V491-E494 PolarHBondContact O-N 3.32Å; V491-Q656 HydrophobicContact CG2-CB 4.1Å |
| 492 | Q | 95.3 | Very high | 93.1 | Very high | 89 Ų | 89 | 41.9 Ų | 41.9 | 42% | 0.416 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -74.5 | -12 | -178.9 | -69 | 170.6 | -10.7 | 0 | 0 | 114 | Q488 T489 Q627 | Q488-Q492 HydrophobicContact CB-CB 4.35Å; Q488-Q492 PolarHBondContact NE2-O 2.86Å; T489-Q492 VanDerWaalsContact N-OE1 3.08Å; T489-Q492 PolarHBondContact O-N 3.38Å; T489-Q492 WeakPolarHBondContact OG1-CG 3.15Å; Q492-Q627 PolarHBondContact O-NE2 3.33Å |
| 493 | V | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -88.4 | -14.3 | 179.2 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | I470 Q488 T489 V491 I496 I498 A626 Q627 | I470-V493 HydrophobicContact CD1-CG2 3.52Å; Q488-V493 HydrophobicContact CB-CG2 3.58Å; Q488-V493 HydrophobicContact CG-CG2 4.38Å; T489-V493 WeakPolarHBondContact O-CG2 3.43Å; T489-V493 PolarHBondContact O-N 3.24Å; V491-V493 PolarHBondContact O-N 3.01Å; V493-I496 CarbonylContact C-O 3.47Å; V493-I496 HydrophobicContact CG1-CB 3.72Å; V493-I496 HydrophobicContact CG1-CG2 3.99Å; V493-I496 WeakPolarHBondContact O-CB 3.36Å; V493-I496 PolarHBondContact O-N 2.92Å; V493-I498 HydrophobicContact CG1-CD1 3.98Å; V493-I498 HydrophobicContact CG1-CG1 4.31Å; V493-A626 HydrophobicContact CG1-CB 3.74Å; V493-Q627 PolarHBondContact O-NE2 2.9Å |
| 494 | E | 92.3 | Very high | 93.2 | Very high | 89 Ų | 89 | 33.8 Ų | 33.8 | 42% | 0.416 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 140.7 | 177 | -67.5 | -174.4 | 172 | 0 | 0 | 111.7 | V491 R653 | V491-E494 WeakPolarHBondContact O-CB 3.34Å; V491-E494 WeakPolarHBondContact O-CG 3.16Å; V491-E494 PolarHBondContact O-N 3.32Å; E494-R653 IonicContact OE1-CZ 2.87Å; E494-R653 IonicContact OE1-NH1 3.39Å; E494-R653 PolarHBondContact OE1-NH1 2.87Å; E494-R653 IonicContact OE1-NH2 3.87Å |
| 495 | P | 93 | Very high | 93.3 | Very high | 109 Ų | 109 | 32.7 Ų | 32.7 | 71% | 0.708 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -83.1 | 3 | 11.3 | 35.5 | -37.7 | 0 | 0 | 0 | 115 | ||
| 496 | I | 95.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132 | 175.5 | -57.2 | 164.8 | 0 | 0 | 0 | 108.4 | V493 F535 T542 L544 A626 Q627 V630 | V493-I496 CarbonylContact C-O 3.47Å; V493-I496 HydrophobicContact CG1-CB 3.72Å; V493-I496 HydrophobicContact CG1-CG2 3.99Å; V493-I496 WeakPolarHBondContact O-CB 3.36Å; V493-I496 PolarHBondContact O-N 2.92Å; I496-F535 HydrophobicContact CD1-CE1 4.27Å; I496-F535 HydrophobicContact CG2-CE1 4.38Å; I496-T542 WeakPolarHBondContact CA-O 3.41Å; I496-T542 HydrophobicContact CG1-CG2 4.1Å; I496-T542 HydrophobicContact CG2-CG2 4.46Å; I496-L544 HydrophobicContact CG2-CB 4.09Å; I496-A626 HydrophobicContact CD1-CB 3.88Å; I496-Q627 HydrophobicContact CD1-CB 4.49Å; I496-Q627 HydrophobicContact CD1-CG 4.08Å; I496-V630 HydrophobicContact CD1-CG2 3.43Å; I496-V630 VanDerWaalsContact CD1-CG2 3.43Å; I496-V630 HydrophobicContact CG1-CG2 4.24Å |
| 497 | Q | 93.8 | Very high | 93.1 | Very high | 38 Ų | 38 | 29.7 Ų | 29.7 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 139 | 174.4 | -61.3 | -169.8 | 8 | 0 | 0 | 110.9 | T542 V543 L544 R653 | Q497-T542 PolarHBondContact N-O 2.66Å; Q497-V543 WeakPolarHBondContact O-CA 3.15Å; Q497-L544 PolarHBondContact O-N 3.48Å; Q497-R653 HydrophobicContact CB-CB 4.49Å |
| 498 | I | 94.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.8 | 173.2 | -56.4 | -54.4 | 0 | 0 | 0 | 108.8 | I470 V493 L544 Y546 L654 | I470-I498 HydrophobicContact CG1-CD1 4.44Å; I470-I498 HydrophobicContact CG1-CG1 4.46Å; V493-I498 HydrophobicContact CG1-CD1 3.98Å; V493-I498 HydrophobicContact CG1-CG1 4.31Å; I498-L544 WeakPolarHBondContact CA-O 3.18Å; I498-L544 HydrophobicContact CD1-CB 3.95Å; I498-L544 HydrophobicContact CD1-CD2 4.11Å; I498-L544 HydrophobicContact CD1-CG 4.33Å; I498-Y546 HydrophobicContact CG2-CD1 3.65Å; I498-Y546 HydrophobicContact CG2-CE1 4.17Å; I498-L654 HydrophobicContact CB-CB 4.21Å; I498-L654 HydrophobicContact CB-CD2 4.41Å; I498-L654 HydrophobicContact CG2-CB 4.21Å; I498-L654 HydrophobicContact CG2-CD2 3.93Å; I498-L654 WeakPolarHBondContact O-CB 3.38Å; I498-L654 PolarHBondContact O-N 3.22Å |
| 499 | W | 93.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.011 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 155.9 | -178.1 | -74.7 | 15.8 | 0 | 0 | 0 | 111.6 | Q503 V507 I538 V543 L544 C545 Y546 F651 | W499-Q503 HydrophobicContact CB-CB 4.27Å; W499-Q503 HydrophobicContact CD2-CB 4.15Å; W499-Q503 HydrophobicContact CE3-CB 3.71Å; W499-Q503 HydrophobicContact CG-CB 4.42Å; W499-Q503 HydrophobicContact CZ3-CB 4.41Å; W499-V507 HydrophobicContact CH2-CG2 4.35Å; W499-V507 HydrophobicContact CZ3-CG2 3.68Å; W499-I538 HydrophobicContact CE3-CD1 4.39Å; W499-I538 HydrophobicContact CH2-CD1 4.18Å; W499-I538 HydrophobicContact CH2-CG2 4.31Å; W499-I538 HydrophobicContact CZ3-CD1 3.77Å; W499-V543 HydrophobicContact CB-CG1 3.73Å; W499-V543 HydrophobicContact CD2-CB 4.39Å; W499-V543 HydrophobicContact CD2-CG1 3.46Å; W499-V543 VanDerWaalsContact CD2-CG1 3.46Å; W499-V543 HydrophobicContact CD2-CG2 3.99Å; W499-V543 HydrophobicContact CE3-CG1 3.78Å; W499-V543 HydrophobicContact CE3-CG2 4.36Å; W499-V543 HydrophobicContact CG-CG1 3.44Å; W499-V543 VanDerWaalsContact CG-CG1 3.44Å; W499-V543 HydrophobicContact CH2-CG2 4.18Å; W499-V543 HydrophobicContact CZ2-CG2 3.8Å; W499-V543 HydrophobicContact CZ3-CG2 4.45Å; W499-L544 PolarHBondContact N-O 3.37Å; W499-C545 WeakPolarHBondContact O-CA 3.28Å; W499-C545 PolarHBondContact O-SG 3.5Å; W499-C545 VanDerWaalsContact O-SG 3.41Å; W499-Y546 WeakPolarHBondContact O-CD1 3.45Å; W499-Y546 WeakPolarHBondContact O-CE1 3.37Å; W499-Y546 PolarHBondContact O-N 2.85Å; W499-F651 HydrophobicContact CH2-CB 3.48Å; W499-F651 VanDerWaalsContact CH2-CB 3.48Å; W499-F651 HydrophobicContact CH2-CD1 4.3Å; W499-F651 AromaticContact CH2-CD2 3.79Å; W499-F651 HydrophobicContact CH2-CD2 3.79Å; W499-F651 AromaticContact CH2-CG 3.59Å; W499-F651 HydrophobicContact CH2-CG 3.59Å; W499-F651 HydrophobicContact CZ2-CB 3.65Å; W499-F651 HydrophobicContact CZ2-CG 4.26Å; W499-F651 HydrophobicContact CZ3-CB 4.01Å; W499-F651 HydrophobicContact CZ3-CD1 4.28Å; W499-F651 HydrophobicContact CZ3-CD2 4.5Å; W499-F651 HydrophobicContact CZ3-CG 4.01Å |
| 500 | S | 90 | Very high | 92.5 | Very high | 16 Ų | 16 | 35 Ų | 35 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | trans | -81.3 | 156 | 168.3 | 89.3 | 0 | 0 | 0 | 0 | 111 | D502 Q503 Y546 E551 | S500-D502 VanDerWaalsContact C-N 3.25Å; S500-D502 PolarHBondContact O-N 3.18Å; S500-D502 PolarHBondContact OG-N 3.18Å; S500-Q503 WeakPolarHBondContact O-CB 3.26Å; S500-Q503 PolarHBondContact O-N 3.14Å; S500-Q503 VanDerWaalsContact O-N 3.08Å; S500-Y546 WeakPolarHBondContact CB-OH 3.11Å; S500-E551 WeakPolarHBondContact CB-OE1 3.26Å; S500-E551 PolarHBondContact OG-OE1 3.36Å | ||
| 501 | P | 89.6 | Confident | 92.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53 | -40.1 | 173.5 | -27.8 | 35.1 | 0 | 0 | 0 | 113.4 | Q503 L504 V505 T532 C545 Y546 I548 | P501-Q503 PolarHBondContact O-N 2.95Å; P501-L504 WeakPolarHBondContact O-CB 3.33Å; P501-L504 PolarHBondContact O-N 2.72Å; P501-V505 WeakPolarHBondContact O-CG2 3.33Å; P501-V505 PolarHBondContact O-N 3Å; P501-T532 HydrophobicContact CG-CG2 4.23Å; P501-C545 VanDerWaalsContact CA-SG 3.58Å; P501-C545 VanDerWaalsContact N-SG 3.37Å; P501-Y546 WeakPolarHBondContact CD-O 3.31Å; P501-Y546 VanDerWaalsContact CG-O 3.23Å; P501-Y546 WeakPolarHBondContact CG-O 3.47Å; P501-I548 HydrophobicContact CG-CB 4.31Å |
| 502 | D | 88.3 | Confident | 92.3 | Very high | 61 Ų | 61 | 31.7 Ų | 31.7 | 33% | 0.326 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -55.7 | -37.3 | 176.9 | 179.4 | 62.2 | 0 | 0 | 0 | 113 | S500 L504 V505 R506 E551 | S500-D502 VanDerWaalsContact C-N 3.25Å; S500-D502 PolarHBondContact O-N 3.18Å; S500-D502 PolarHBondContact OG-N 3.18Å; D502-L504 VanDerWaalsContact C-N 3.33Å; D502-L504 PolarHBondContact O-N 3.19Å; D502-V505 WeakPolarHBondContact O-CB 3.32Å; D502-V505 PolarHBondContact O-N 2.77Å; D502-R506 WeakPolarHBondContact O-CG 3.32Å; D502-R506 PolarHBondContact O-N 3.08Å; D502-R506 IonicContact OD2-CZ 3.51Å; D502-R506 IonicContact OD2-NE 3.89Å; D502-R506 PolarHBondContact OD2-NE 3.07Å; D502-R506 IonicContact OD2-NH2 2.76Å; D502-R506 PolarHBondContact OD2-NH2 3.1Å; D502-E551 VanDerWaalsContact CB-OE1 3.27Å; D502-E551 WeakPolarHBondContact CB-OE1 3.16Å; D502-E551 PolarHBondContact N-OE1 2.91Å; D502-E551 VanDerWaalsContact N-OE1 3.16Å |
| 503 | Q | 91.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.9 | -59.2 | -55.5 | -54.2 | 0 | 0 | 112 | W499 S500 P501 V505 R506 V507 R652 | W499-Q503 HydrophobicContact CB-CB 4.27Å; W499-Q503 HydrophobicContact CD2-CB 4.15Å; W499-Q503 HydrophobicContact CE3-CB 3.71Å; W499-Q503 HydrophobicContact CG-CB 4.42Å; W499-Q503 HydrophobicContact CZ3-CB 4.41Å; S500-Q503 WeakPolarHBondContact O-CB 3.26Å; S500-Q503 PolarHBondContact O-N 3.14Å; S500-Q503 VanDerWaalsContact O-N 3.08Å; P501-Q503 PolarHBondContact O-N 2.95Å; Q503-V505 VanDerWaalsContact C-N 3.32Å; Q503-R506 WeakPolarHBondContact O-CB 3.36Å; Q503-R506 PolarHBondContact O-N 3.15Å; Q503-V507 PolarHBondContact O-N 3.34Å; Q503-R652 VanDerWaalsContact CG-O 3.3Å; Q503-R652 WeakPolarHBondContact CG-O 3.46Å |
| 504 | L | 91.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67 | -35.8 | 174.9 | -169.6 | 66.1 | 0 | 0 | 0 | 111.3 | P501 D502 R506 V507 G508 Y527 Y536 I538 L638 | P501-L504 WeakPolarHBondContact O-CB 3.33Å; P501-L504 PolarHBondContact O-N 2.72Å; D502-L504 VanDerWaalsContact C-N 3.33Å; D502-L504 PolarHBondContact O-N 3.19Å; L504-R506 VanDerWaalsContact C-N 3.32Å; L504-R506 PolarHBondContact O-N 3.09Å; L504-V507 PolarHBondContact O-N 3.09Å; L504-G508 PolarHBondContact O-N 3.49Å; L504-Y527 HydrophobicContact CB-CD2 4.02Å; L504-Y527 HydrophobicContact CB-CE2 4.18Å; L504-Y527 HydrophobicContact CD2-CD1 3.74Å; L504-Y527 HydrophobicContact CD2-CD2 3.59Å; L504-Y527 HydrophobicContact CD2-CE1 4.03Å; L504-Y527 HydrophobicContact CD2-CE2 3.92Å; L504-Y527 HydrophobicContact CD2-CG 3.5Å; L504-Y527 HydrophobicContact CG-CD1 4.43Å; L504-Y527 HydrophobicContact CG-CD2 3.66Å; L504-Y527 HydrophobicContact CG-CE1 4.34Å; L504-Y527 HydrophobicContact CG-CE2 3.58Å; L504-Y527 HydrophobicContact CG-CG 4.11Å; L504-Y527 WeakPolarHBondContact O-CE2 3.43Å; L504-Y536 HydrophobicContact CD1-CD1 4.15Å; L504-Y536 HydrophobicContact CD1-CD2 4.18Å; L504-Y536 HydrophobicContact CD1-CE1 3.96Å; L504-Y536 HydrophobicContact CD1-CE2 4.04Å; L504-Y536 HydrophobicContact CD1-CG 4.22Å; L504-Y536 HydrophobicContact CD2-CE1 4.31Å; L504-Y536 HydrophobicContact CD2-CE2 3.65Å; L504-Y536 WeakPolarHBondContact CD2-OH 3.46Å; L504-I538 HydrophobicContact CD1-CD1 4.36Å; L504-L638 HydrophobicContact CD1-CD1 4.11Å |
| 505 | V | 91.5 | Very high | 92.4 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 170.5 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | P501 D502 Q503 V507 G508 K509 P524 R525 Y527 | P501-V505 WeakPolarHBondContact O-CG2 3.33Å; P501-V505 PolarHBondContact O-N 3Å; D502-V505 WeakPolarHBondContact O-CB 3.32Å; D502-V505 PolarHBondContact O-N 2.77Å; Q503-V505 VanDerWaalsContact C-N 3.32Å; V505-V507 PolarHBondContact O-N 3.35Å; V505-G508 PolarHBondContact O-N 2.93Å; V505-K509 PolarHBondContact O-N 3.11Å; V505-K509 VanDerWaalsContact O-N 3.16Å; V505-P524 HydrophobicContact CG1-CB 3.99Å; V505-R525 VanDerWaalsContact CG2-O 3.31Å; V505-R525 WeakPolarHBondContact CG2-O 3.16Å; V505-Y527 HydrophobicContact CG2-CD2 4.05Å; V505-Y527 HydrophobicContact CG2-CE2 4.44Å |
| 506 | R | 91.6 | Very high | 92.5 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 27% | 0.272 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.4 | -38.4 | 176.1 | -65.5 | 173.7 | -164 | -164.4 | 0.2 | 112.7 | D502 Q503 L504 K509 F651 | D502-R506 WeakPolarHBondContact O-CG 3.32Å; D502-R506 PolarHBondContact O-N 3.08Å; D502-R506 IonicContact OD2-CZ 3.51Å; D502-R506 IonicContact OD2-NE 3.89Å; D502-R506 PolarHBondContact OD2-NE 3.07Å; D502-R506 IonicContact OD2-NH2 2.76Å; D502-R506 PolarHBondContact OD2-NH2 3.1Å; Q503-R506 WeakPolarHBondContact O-CB 3.36Å; Q503-R506 PolarHBondContact O-N 3.15Å; L504-R506 VanDerWaalsContact C-N 3.32Å; L504-R506 PolarHBondContact O-N 3.09Å; R506-K509 PolarHBondContact O-N 3.1Å; R506-F651 HydrophobicContact CB-CD1 4.39Å; R506-F651 HydrophobicContact CB-CE1 4.08Å |
| 507 | V | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -49.3 | 171.8 | 173.9 | 0 | 0 | 0 | 0 | 110 | W499 Q503 L504 V505 K509 F510 I538 L638 F640 L641 F651 | W499-V507 HydrophobicContact CH2-CG2 4.35Å; W499-V507 HydrophobicContact CZ3-CG2 3.68Å; Q503-V507 PolarHBondContact O-N 3.34Å; L504-V507 PolarHBondContact O-N 3.09Å; V505-V507 PolarHBondContact O-N 3.35Å; V507-K509 PolarHBondContact O-N 3.11Å; V507-K509 VanDerWaalsContact O-N 3.1Å; V507-F510 PolarHBondContact O-N 3.19Å; V507-F510 VanDerWaalsContact O-N 3.1Å; V507-I538 HydrophobicContact CG1-CG2 4.48Å; V507-I538 HydrophobicContact CG2-CD1 4.25Å; V507-I538 HydrophobicContact CG2-CG2 4.35Å; V507-L638 HydrophobicContact CG1-CB 4.48Å; V507-L638 HydrophobicContact CG1-CD1 3.71Å; V507-F640 HydrophobicContact CG1-CE2 4.12Å; V507-F640 HydrophobicContact CG1-CZ 4.08Å; V507-F640 WeakPolarHBondContact O-CE2 3.42Å; V507-L641 HydrophobicContact CG1-CD1 4.22Å; V507-L641 HydrophobicContact CG1-CD2 4.12Å; V507-L641 HydrophobicContact CG1-CG 4.33Å; V507-F651 HydrophobicContact CB-CE1 4.42Å; V507-F651 HydrophobicContact CG2-CD1 3.96Å; V507-F651 HydrophobicContact CG2-CE1 3.47Å; V507-F651 VanDerWaalsContact CG2-CE1 3.47Å; V507-F651 HydrophobicContact CG2-CE2 4.27Å; V507-F651 HydrophobicContact CG2-CZ 3.65Å |
| 508 | G | 91.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.1 | -34 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L504 V505 F510 M511 R522 | L504-G508 PolarHBondContact O-N 3.49Å; V505-G508 PolarHBondContact O-N 2.93Å; G508-F510 PolarHBondContact O-N 2.93Å; G508-F510 VanDerWaalsContact O-N 3.08Å; G508-M511 WeakPolarHBondContact O-CB 3.43Å; G508-M511 PolarHBondContact O-N 2.91Å; G508-R522 WeakPolarHBondContact O-CB 3.34Å |
| 509 | K | 91.6 | Very high | 92.8 | Very high | 95 Ų | 95 | 42 Ų | 42 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -32.7 | 178.2 | -70.6 | -179 | 179.9 | -179.4 | 0 | 113.7 | V505 R506 V507 M511 G521 | V505-K509 PolarHBondContact O-N 3.11Å; V505-K509 VanDerWaalsContact O-N 3.16Å; R506-K509 PolarHBondContact O-N 3.1Å; V507-K509 PolarHBondContact O-N 3.11Å; V507-K509 VanDerWaalsContact O-N 3.1Å; K509-M511 VanDerWaalsContact C-N 3.29Å; K509-M511 PolarHBondContact O-N 3.37Å; K509-G521 WeakPolarHBondContact O-CA 3.39Å |
| 510 | F | 91.9 | Very high | 92.9 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.5 | 179.6 | -63 | -80.3 | 0 | 0 | 0 | 113.4 | V507 G508 G512 C513 F640 L641 P642 W644 T645 Y650 F651 | V507-F510 PolarHBondContact O-N 3.19Å; V507-F510 VanDerWaalsContact O-N 3.1Å; G508-F510 PolarHBondContact O-N 2.93Å; G508-F510 VanDerWaalsContact O-N 3.08Å; F510-G512 PolarHBondContact O-N 3.1Å; F510-C513 WeakPolarHBondContact O-CB 3.36Å; F510-C513 PolarHBondContact O-N 3.41Å; F510-F640 HydrophobicContact CB-CD2 3.96Å; F510-F640 HydrophobicContact CB-CE2 4.14Å; F510-L641 HydrophobicContact CB-CD2 4Å; F510-L641 HydrophobicContact CD2-CD2 3.4Å; F510-L641 VanDerWaalsContact CD2-CD2 3.4Å; F510-L641 HydrophobicContact CE2-CD2 4.07Å; F510-L641 HydrophobicContact CG-CD2 3.84Å; F510-P642 HydrophobicContact CD1-CG 3.69Å; F510-P642 HydrophobicContact CE1-CG 3.84Å; F510-P642 HydrophobicContact CG-CG 4.49Å; F510-W644 HydrophobicContact CE1-CZ2 4.19Å; F510-W644 HydrophobicContact CZ-CH2 4.27Å; F510-W644 HydrophobicContact CZ-CZ2 4.18Å; F510-T645 HydrophobicContact CE2-CG2 4.4Å; F510-T645 HydrophobicContact CZ-CG2 4.14Å; F510-Y650 HydrophobicContact CE2-CE1 4.26Å; F510-Y650 HydrophobicContact CZ-CE1 4.4Å; F510-F651 HydrophobicContact CE2-CZ 4.33Å |
| 511 | M | 92.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.044 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 119.4 | -179 | -171.3 | -171.1 | -75.7 | 0 | 0 | 110.3 | Q172 F176 F235 G508 K509 C513 G521 R522 L638 F640 | Q172-M511 HydrophobicContact CG-CG 3.96Å; F176-M511 HydrophobicContact CE1-SD 3.81Å; F176-M511 WeakPolarHBondContact CE2-O 3.41Å; F176-M511 HydrophobicContact CZ-CB 4.12Å; F176-M511 HydrophobicContact CZ-CG 3.82Å; F176-M511 HydrophobicContact CZ-SD 3.7Å; F235-M511 HydrophobicContact CB-CE 3.48Å; F235-M511 VanDerWaalsContact CB-CE 3.48Å; F235-M511 HydrophobicContact CB-CG 4.46Å; F235-M511 HydrophobicContact CB-SD 3.47Å; F235-M511 WeakPolarHBondContact CB-SD 3.43Å; F235-M511 HydrophobicContact CD1-CE 4.16Å; F235-M511 HydrophobicContact CD2-CE 3.98Å; F235-M511 HydrophobicContact CD2-CG 4.28Å; F235-M511 HydrophobicContact CD2-SD 4.29Å; F235-M511 HydrophobicContact CG-CE 3.61Å; F235-M511 HydrophobicContact CG-SD 4.09Å; G508-M511 WeakPolarHBondContact O-CB 3.43Å; G508-M511 PolarHBondContact O-N 2.91Å; K509-M511 VanDerWaalsContact C-N 3.29Å; K509-M511 PolarHBondContact O-N 3.37Å; M511-C513 VanDerWaalsContact C-N 3.28Å; M511-C513 PolarHBondContact O-N 3.33Å; M511-G521 CarbonylContact O-C 3.56Å; M511-G521 WeakPolarHBondContact O-CA 3.3Å; M511-R522 HydrophobicContact CB-CB 4.45Å; M511-R522 PolarHBondContact O-N 3.16Å; M511-L638 HydrophobicContact CE-CD2 4.48Å; M511-F640 HydrophobicContact CB-CD2 4.17Å; M511-F640 HydrophobicContact CB-CE1 4.24Å; M511-F640 HydrophobicContact CB-CE2 3.83Å; M511-F640 HydrophobicContact CB-CZ 3.86Å; M511-F640 HydrophobicContact CE-CD1 4.48Å; M511-F640 HydrophobicContact CE-CE1 3.48Å; M511-F640 VanDerWaalsContact CE-CE1 3.48Å; M511-F640 HydrophobicContact CE-CZ 3.57Å; M511-F640 HydrophobicContact CG-CD1 4.45Å; M511-F640 HydrophobicContact CG-CE1 4.19Å; M511-F640 HydrophobicContact CG-CZ 4.29Å |
| 512 | G | 93.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 18.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N173 F510 | N173-G512 PolarHBondContact ND2-O 3.3Å; F510-G512 PolarHBondContact O-N 3.1Å |
| 513 | C | 94.8 | Very high | 93.5 | Very high | 66 Ų | 66 | 41.8 Ų | 41.8 | 45% | 0.446 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.1 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | F510 M511 L519 | F510-C513 WeakPolarHBondContact O-CB 3.36Å; F510-C513 PolarHBondContact O-N 3.41Å; M511-C513 VanDerWaalsContact C-N 3.28Å; M511-C513 PolarHBondContact O-N 3.33Å; C513-L519 WeakPolarHBondContact CA-O 3.07Å |
| 514 | S | 95.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 107.9 | 169 | 171.4 | 0 | 0 | 0 | 0 | 109.1 | D166 R516 L517 G518 L519 | D166-S514 PolarHBondContact OD1-OG 3.5Å; S514-R516 VanDerWaalsContact C-N 3.25Å; S514-R516 PolarHBondContact O-N 3.09Å; S514-L517 PolarHBondContact O-N 2.88Å; S514-L517 PolarHBondContact OG-N 3.18Å; S514-G518 PolarHBondContact O-N 2.98Å; S514-G518 VanDerWaalsContact O-N 3.09Å; S514-L519 PolarHBondContact N-O 3.3Å; S514-L519 PolarHBondContact O-N 2.85Å |
| 515 | E | 94.4 | Very high | 93 | Very high | 188 Ų | 188 | 46.6 Ų | 46.6 | 88% | 0.879 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -37.7 | 177.1 | -172.3 | 176.5 | -175 | 0 | 0 | 111.4 | L517 G518 | E515-L517 VanDerWaalsContact C-N 3.31Å; E515-L517 PolarHBondContact O-N 2.82Å; E515-G518 PolarHBondContact O-N 3.37Å; E515-G518 VanDerWaalsContact O-N 3.13Å |
| 516 | R | 95.5 | Very high | 92.6 | Very high | 211 Ų | 211 | 48.5 Ų | 48.5 | 80% | 0.796 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -34.6 | 179.7 | -67.2 | 176 | 176.3 | 179.5 | -3.9 | 113.2 | D166 S514 | D166-R516 WeakPolarHBondContact OD2-CD 3.32Å; D166-R516 IonicContact OD2-NH1 3.58Å; D166-R516 PolarHBondContact OD2-NH1 3.36Å; S514-R516 VanDerWaalsContact C-N 3.25Å; S514-R516 PolarHBondContact O-N 3.09Å |
| 517 | L | 96.5 | Very high | 92.4 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -1.9 | 177.2 | -64.5 | 176.2 | 0 | 0 | 0 | 112.8 | M100 S103 D166 F170 S514 E515 L519 | M100-L517 HydrophobicContact CE-CD1 3.92Å; M100-L517 HydrophobicContact CE-CD2 4.07Å; S103-L517 VanDerWaalsContact CB-O 3.24Å; S103-L517 WeakPolarHBondContact CB-O 3.27Å; S103-L517 PolarHBondContact OG-O 3.25Å; D166-L517 HydrophobicContact CB-CD1 4.08Å; D166-L517 HydrophobicContact CB-CG 4.47Å; D166-L517 WeakPolarHBondContact O-CD1 3.19Å; F170-L517 HydrophobicContact CB-CD1 4.16Å; F170-L517 HydrophobicContact CD2-CD1 4.43Å; S514-L517 PolarHBondContact O-N 2.88Å; S514-L517 PolarHBondContact OG-N 3.18Å; E515-L517 VanDerWaalsContact C-N 3.31Å; E515-L517 PolarHBondContact O-N 2.82Å; L517-L519 HydrophobicContact CB-CD1 3.87Å; L517-L519 HydrophobicContact CB-CG 3.86Å; L517-L519 HydrophobicContact CD1-CD1 3.95Å; L517-L519 PolarHBondContact O-N 3.46Å |
| 518 | G | 96.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 46.8 Ų | 46.8 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 23.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S514 E515 | S514-G518 PolarHBondContact O-N 2.98Å; S514-G518 VanDerWaalsContact O-N 3.09Å; E515-G518 PolarHBondContact O-N 3.37Å; E515-G518 VanDerWaalsContact O-N 3.13Å |
| 519 | L | 97.2 | Very high | 92 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118 | -177.6 | -65.2 | 174.6 | 0 | 0 | 0 | 110.6 | L106 E107 F170 N173 C513 S514 L517 G521 | L106-L519 HydrophobicContact CD2-CD2 4.38Å; L106-L519 HydrophobicContact CG-CD2 4.4Å; E107-L519 HydrophobicContact CB-CD2 4.32Å; E107-L519 WeakPolarHBondContact OE2-CA 3.44Å; F170-L519 HydrophobicContact CB-CD1 4.44Å; F170-L519 HydrophobicContact CD2-CD1 4.09Å; N173-L519 HydrophobicContact CB-CD1 4.45Å; C513-L519 WeakPolarHBondContact CA-O 3.07Å; S514-L519 PolarHBondContact N-O 3.3Å; S514-L519 PolarHBondContact O-N 2.85Å; L517-L519 HydrophobicContact CB-CD1 3.87Å; L517-L519 HydrophobicContact CB-CG 3.86Å; L517-L519 HydrophobicContact CD1-CD1 3.95Å; L517-L519 PolarHBondContact O-N 3.46Å; L519-G521 VanDerWaalsContact C-N 3.26Å; L519-G521 PolarHBondContact O-N 2.9Å |
| 520 | S | 95.2 | Very high | 92 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -2.3 | -176.8 | 70.3 | 0 | 0 | 0 | 0 | 115 | E107 K110 | E107-S520 VanDerWaalsContact CD-OG 3.29Å; E107-S520 WeakPolarHBondContact OE1-CB 3.34Å; E107-S520 PolarHBondContact OE1-OG 2.99Å; E107-S520 PolarHBondContact OE2-N 2.97Å; E107-S520 PolarHBondContact OE2-OG 2.82Å; K110-S520 PolarHBondContact NZ-OG 3.23Å |
| 521 | G | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | 81.4 | -153.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K110 K509 M511 L519 | K110-G521 PolarHBondContact NZ-O 2.96Å; K509-G521 WeakPolarHBondContact O-CA 3.39Å; M511-G521 CarbonylContact O-C 3.56Å; M511-G521 WeakPolarHBondContact O-CA 3.3Å; L519-G521 VanDerWaalsContact C-N 3.26Å; L519-G521 PolarHBondContact O-N 2.9Å | ||
| 522 | R | 94 | Very high | 92 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -63.1 | 128.8 | -175.4 | -167.5 | 178.3 | 170.3 | -91.9 | 5.2 | 110.2 | F176 D237 G508 M511 R525 | F176-R522 HydrophobicContact CD1-CG 4.08Å; F176-R522 HydrophobicContact CD2-CB 4.5Å; F176-R522 HydrophobicContact CE1-CB 3.89Å; F176-R522 HydrophobicContact CE1-CG 3.72Å; F176-R522 VanDerWaalsContact CE2-CA 3.46Å; F176-R522 HydrophobicContact CE2-CB 3.89Å; F176-R522 HydrophobicContact CE2-CG 4.47Å; F176-R522 HydrophobicContact CZ-CB 3.54Å; F176-R522 HydrophobicContact CZ-CG 3.94Å; D237-R522 IonicContact OD2-NH2 2.87Å; D237-R522 PolarHBondContact OD2-NH2 3.29Å; G508-R522 WeakPolarHBondContact O-CB 3.34Å; M511-R522 HydrophobicContact CB-CB 4.45Å; M511-R522 PolarHBondContact O-N 3.16Å; R522-R525 PolarHBondContact NH1-O 3.4Å; R522-R525 PolarHBondContact NH2-O 2.83Å |
| 523 | P | 91.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -59.9 | 152.9 | 174.4 | -23.6 | 36.4 | 0 | 0 | 0 | 110.9 | K110 R525 | K110-P523 HydrophobicContact CB-CG 3.66Å; K110-P523 HydrophobicContact CD-CG 3.7Å; K110-P523 HydrophobicContact CG-CG 3.96Å; P523-R525 HydrophobicContact CB-CG 4.04Å; P523-R525 PolarHBondContact O-N 2.8Å | ||
| 524 | P | 87.6 | Confident | 92.1 | Very high | 94 Ų | 94 | 37.5 Ų | 37.5 | 61% | 0.61 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -72.1 | 64.9 | -175.1 | 31.4 | -36.6 | 0 | 0 | 0 | 112.1 | V505 | V505-P524 HydrophobicContact CG1-CB 3.99Š|
| 525 | R | 85.3 | Confident | 92.2 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -98 | 131.6 | -176.2 | -63.5 | 164.9 | 175.7 | 177.2 | 7.4 | 108.5 | K110 F176 E179 R180 V505 R522 P523 | K110-R525 PolarHBondContact O-NH2 3.04Å; F176-R525 PolarHBondContact O-NH1 2.67Å; E179-R525 IonicContact OE2-NH1 2.64Å; E179-R525 PolarHBondContact OE2-NH1 3.43Å; E179-R525 VanDerWaalsContact OE2-NH1 3.12Å; R180-R525 VanDerWaalsContact NH2-CG 3.3Å; V505-R525 VanDerWaalsContact CG2-O 3.31Å; V505-R525 WeakPolarHBondContact CG2-O 3.16Å; R522-R525 PolarHBondContact NH1-O 3.4Å; R522-R525 PolarHBondContact NH2-O 2.83Å; P523-R525 HydrophobicContact CB-CG 4.04Å; P523-R525 PolarHBondContact O-N 2.8Å |
| 526 | P | 83.5 | Confident | 92.1 | Very high | 50 Ų | 50 | 28.4 Ų | 28.4 | 33% | 0.325 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 145 | 177.2 | 26 | -33.5 | 0 | 0 | 0 | 110.9 | I548 | P526-I548 HydrophobicContact CB-CD1 3.82Š|
| 527 | Y | 86.4 | Confident | 92 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 136.6 | 169.4 | -75.7 | -95.8 | 0 | 0 | 0 | 109.2 | L504 V505 | L504-Y527 HydrophobicContact CB-CD2 4.02Å; L504-Y527 HydrophobicContact CB-CE2 4.18Å; L504-Y527 HydrophobicContact CD2-CD1 3.74Å; L504-Y527 HydrophobicContact CD2-CD2 3.59Å; L504-Y527 HydrophobicContact CD2-CE1 4.03Å; L504-Y527 HydrophobicContact CD2-CE2 3.92Å; L504-Y527 HydrophobicContact CD2-CG 3.5Å; L504-Y527 HydrophobicContact CG-CD1 4.43Å; L504-Y527 HydrophobicContact CG-CD2 3.66Å; L504-Y527 HydrophobicContact CG-CE1 4.34Å; L504-Y527 HydrophobicContact CG-CE2 3.58Å; L504-Y527 HydrophobicContact CG-CG 4.11Å; L504-Y527 WeakPolarHBondContact O-CE2 3.43Å; V505-Y527 HydrophobicContact CG2-CD2 4.05Å; V505-Y527 HydrophobicContact CG2-CE2 4.44Å |
| 528 | G | 86.5 | Confident | 91.6 | Very high | 22 Ų | 22 | 21.2 Ų | 21.2 | 23% | 0.227 | 13% | 0.134 | C | C | . | . | trans | -89.1 | -163.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D239 L530 G531 T532 | D239-G528 VanDerWaalsContact CG-C 3.43Å; D239-G528 VanDerWaalsContact OD1-C 3.23Å; D239-G528 WeakPolarHBondContact OD1-CA 3.42Å; D239-G528 WeakPolarHBondContact OD2-CA 3.4Å; D239-G528 PolarHBondContact OD2-N 2.77Å; G528-L530 PolarHBondContact O-N 3.27Å; G528-G531 PolarHBondContact O-N 3.16Å; G528-T532 WeakPolarHBondContact O-CG2 3.25Å; G528-T532 PolarHBondContact O-N 3.41Å; G528-T532 PolarHBondContact O-OG1 2.96Å; G528-T532 VanDerWaalsContact O-OG1 3.13Å | ||
| 529 | Q | 88.5 | Confident | 91 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 7% | 0.07 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.8 | -33.5 | -171.2 | -167.4 | 54.8 | 31.1 | 0 | 0 | 113.6 | D239 T532 S533 D571 F574 L575 | D239-Q529 PolarHBondContact OD1-N 2.89Å; D239-Q529 VanDerWaalsContact OD1-N 3.07Å; Q529-T532 PolarHBondContact O-OG1 3.4Å; Q529-S533 PolarHBondContact NE2-OG 3.07Å; Q529-S533 WeakPolarHBondContact O-CB 3.41Å; Q529-S533 PolarHBondContact O-N 3.13Å; Q529-S533 VanDerWaalsContact O-N 3.07Å; Q529-S533 PolarHBondContact O-OG 3.41Å; Q529-D571 HydrophobicContact CG-CB 3.94Å; Q529-D571 PolarHBondContact OE1-OD2 2.82Å; Q529-F574 HydrophobicContact CB-CD1 3.96Å; Q529-F574 HydrophobicContact CB-CE1 4.05Å; Q529-F574 HydrophobicContact CG-CD1 4.27Å; Q529-L575 HydrophobicContact CG-CD1 4.22Å; Q529-L575 HydrophobicContact CG-CD2 4.11Å; Q529-L575 HydrophobicContact CG-CG 3.97Å |
| 530 | L | 91.2 | Very high | 90.2 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.8 | -39.7 | 175.3 | -59.8 | 174.8 | 0 | 0 | 0 | 110.7 | A238 D239 G528 F574 L575 W579 | A238-L530 HydrophobicContact CB-CB 3.84Å; A238-L530 HydrophobicContact CB-CD1 4.15Å; A238-L530 WeakPolarHBondContact O-CD1 3.46Å; D239-L530 WeakPolarHBondContact OD1-CB 3.36Å; D239-L530 PolarHBondContact OD1-N 2.94Å; G528-L530 PolarHBondContact O-N 3.27Å; L530-F574 HydrophobicContact CD1-CE1 4.31Å; L530-F574 HydrophobicContact CD1-CZ 4.38Å; L530-F574 HydrophobicContact CD2-CE1 4.08Å; L530-F574 HydrophobicContact CG-CE1 3.79Å; L530-F574 HydrophobicContact CG-CZ 4.35Å; L530-L575 HydrophobicContact CD2-CD2 3.97Å; L530-W579 HydrophobicContact CD2-CE3 3.71Å; L530-W579 HydrophobicContact CD2-CZ3 4.35Å |
| 531 | G | 91.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D239 G528 K534 Y536 | D239-G531 PolarHBondContact OD2-N 3.01Å; G528-G531 PolarHBondContact O-N 3.16Å; G531-K534 WeakPolarHBondContact O-CG 3.23Å; G531-Y536 WeakPolarHBondContact O-CE2 3.49Å; G531-Y536 PolarHBondContact O-OH 3.12Å |
| 532 | T | 94.2 | Very high | 90 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -81.1 | -22.7 | -178.7 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | P501 G528 Q529 K534 C545 | P501-T532 HydrophobicContact CG-CG2 4.23Å; G528-T532 WeakPolarHBondContact O-CG2 3.25Å; G528-T532 PolarHBondContact O-N 3.41Å; G528-T532 PolarHBondContact O-OG1 2.96Å; G528-T532 VanDerWaalsContact O-OG1 3.13Å; Q529-T532 PolarHBondContact O-OG1 3.4Å; T532-K534 PolarHBondContact O-N 3.07Å; T532-K534 VanDerWaalsContact O-N 3.12Å; T532-C545 HydrophobicContact CG2-CB 4.4Å |
| 533 | S | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -85.7 | 33.6 | -176.3 | -56.5 | 0 | 0 | 0 | 0 | 115 | Q529 L575 W579 P585 T586 | Q529-S533 PolarHBondContact NE2-OG 3.07Å; Q529-S533 WeakPolarHBondContact O-CB 3.41Å; Q529-S533 PolarHBondContact O-N 3.13Å; Q529-S533 VanDerWaalsContact O-N 3.07Å; Q529-S533 PolarHBondContact O-OG 3.41Å; S533-L575 WeakPolarHBondContact OG-CD1 3.21Å; S533-W579 VanDerWaalsContact O-CH2 3.29Å; S533-W579 WeakPolarHBondContact O-CH2 3.45Å; S533-P585 WeakPolarHBondContact O-CA 3.32Å; S533-T586 CarbonylContact C-O 3.52Å; S533-T586 WeakPolarHBondContact CA-O 3.43Å; S533-T586 PolarHBondContact O-N 2.89Å |
| 534 | K | 94.8 | Very high | 90.3 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 2% | 0.022 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -141.5 | 162.8 | 178.4 | 53.8 | -175.9 | -176.8 | -175.4 | 0 | 112.1 | G531 T532 Y536 W579 L581 F634 E636 | G531-K534 WeakPolarHBondContact O-CG 3.23Å; T532-K534 PolarHBondContact O-N 3.07Å; T532-K534 VanDerWaalsContact O-N 3.12Å; K534-Y536 HydrophobicContact CD-CE1 4.42Å; K534-Y536 WeakPolarHBondContact CE-OH 3.39Å; K534-Y536 HydrophobicContact CG-CD2 4.49Å; K534-Y536 HydrophobicContact CG-CE1 4.47Å; K534-Y536 HydrophobicContact CG-CE2 3.78Å; K534-W579 HydrophobicContact CB-CH2 4.12Å; K534-L581 HydrophobicContact CD-CD1 4.48Å; K534-F634 HydrophobicContact CB-CB 4.3Å; K534-F634 HydrophobicContact CB-CD1 3.82Å; K534-F634 HydrophobicContact CD-CD1 3.42Å; K534-F634 VanDerWaalsContact CD-CD1 3.42Å; K534-F634 HydrophobicContact CD-CE1 3.57Å; K534-F634 HydrophobicContact CG-CD1 4.26Å; K534-E636 HydrophobicContact CD-CB 4.35Å; K534-E636 WeakPolarHBondContact CE-OE2 3.48Å; K534-E636 IonicContact NZ-OE1 2.78Å; K534-E636 PolarHBondContact NZ-OE1 3.09Å; K534-E636 IonicContact NZ-OE2 3.71Å; K534-E636 PolarHBondContact NZ-OE2 3.18Å |
| 535 | F | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 147 | 168.5 | -66.7 | -79.4 | 0 | 0 | 0 | 110.5 | I496 T542 V543 L544 T586 F629 V630 F634 V635 E636 | I496-F535 HydrophobicContact CD1-CE1 4.27Å; I496-F535 HydrophobicContact CG2-CE1 4.38Å; F535-T542 HydrophobicContact CD1-CG2 4.13Å; F535-V543 CarbonylContact C-O 3.55Å; F535-V543 WeakPolarHBondContact CA-O 3.15Å; F535-L544 HydrophobicContact CD1-CB 4.04Å; F535-L544 HydrophobicContact CD1-CD1 4.18Å; F535-L544 HydrophobicContact CE1-CB 3.96Å; F535-L544 HydrophobicContact CE1-CD1 4.07Å; F535-L544 HydrophobicContact CE1-CD2 4.07Å; F535-L544 HydrophobicContact CE1-CG 4.26Å; F535-L544 HydrophobicContact CZ-CD1 4.44Å; F535-L544 HydrophobicContact CZ-CD2 4.44Å; F535-T586 HydrophobicContact CE2-CG2 3.78Å; F535-T586 VanDerWaalsContact CE2-OG1 3.32Å; F535-T586 WeakPolarHBondContact CE2-OG1 3.43Å; F535-T586 HydrophobicContact CZ-CG2 3.8Å; F535-F629 HydrophobicContact CE2-CB 4.27Å; F535-F629 HydrophobicContact CZ-CB 4.32Å; F535-V630 HydrophobicContact CD1-CG2 4.13Å; F535-V630 HydrophobicContact CE1-CG2 3.73Å; F535-V630 HydrophobicContact CE2-CG2 4.25Å; F535-V630 HydrophobicContact CZ-CG2 3.79Å; F535-F634 PolarHBondContact N-O 2.8Å; F535-V635 HydrophobicContact CB-CG2 4.06Å; F535-V635 WeakPolarHBondContact O-CA 3.4Å; F535-E636 PolarHBondContact O-N 3.27Å |
| 536 | Y | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.5 | 173.3 | -66.1 | -89.6 | 0 | 0 | 0 | 110.7 | L504 G531 K534 I538 T542 V543 E636 L638 | L504-Y536 HydrophobicContact CD1-CD1 4.15Å; L504-Y536 HydrophobicContact CD1-CD2 4.18Å; L504-Y536 HydrophobicContact CD1-CE1 3.96Å; L504-Y536 HydrophobicContact CD1-CE2 4.04Å; L504-Y536 HydrophobicContact CD1-CG 4.22Å; L504-Y536 HydrophobicContact CD2-CE1 4.31Å; L504-Y536 HydrophobicContact CD2-CE2 3.65Å; L504-Y536 WeakPolarHBondContact CD2-OH 3.46Å; G531-Y536 WeakPolarHBondContact O-CE2 3.49Å; G531-Y536 PolarHBondContact O-OH 3.12Å; K534-Y536 HydrophobicContact CD-CE1 4.42Å; K534-Y536 WeakPolarHBondContact CE-OH 3.39Å; K534-Y536 HydrophobicContact CG-CD2 4.49Å; K534-Y536 HydrophobicContact CG-CE1 4.47Å; K534-Y536 HydrophobicContact CG-CE2 3.78Å; Y536-I538 HydrophobicContact CG-CD1 4.43Å; Y536-T542 WeakPolarHBondContact O-CA 3.45Å; Y536-V543 PolarHBondContact N-O 3.05Å; Y536-V543 PolarHBondContact O-N 3.39Å; Y536-E636 CarbonylContact C-O 3.51Å; Y536-E636 VanDerWaalsContact CA-O 3.32Å; Y536-E636 WeakPolarHBondContact CA-O 3.43Å; Y536-E636 HydrophobicContact CD1-CB 4.13Å; Y536-E636 HydrophobicContact CE1-CB 4.31Å; Y536-E636 VanDerWaalsContact CE1-OE2 3.25Å; Y536-E636 WeakPolarHBondContact CE1-OE2 3.19Å; Y536-L638 HydrophobicContact CD1-CD1 3.55Å; Y536-L638 HydrophobicContact CD1-CD2 4.32Å; Y536-L638 HydrophobicContact CD1-CG 3.89Å; Y536-L638 HydrophobicContact CE1-CD1 4.02Å; Y536-L638 HydrophobicContact CG-CD1 4.38Å |
| 537 | R | 92 | Very high | 91.3 | Very high | 89 Ų | 89 | 17.3 Ų | 17.3 | 34% | 0.336 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 111.6 | 165.6 | -162 | 71.7 | 170.5 | 148.7 | 8.4 | 108.1 | G540 L541 T542 V635 E636 L638 | R537-G540 PolarHBondContact NH1-O 3.35Å; R537-G540 PolarHBondContact NH2-O 3.16Å; R537-L541 WeakPolarHBondContact CA-O 3.41Å; R537-T542 PolarHBondContact NH1-OG1 3.29Å; R537-V635 HydrophobicContact CB-CG1 4.41Å; R537-E636 PolarHBondContact N-O 3.27Å; R537-L638 PolarHBondContact O-N 3.34Å |
| 538 | I | 89.3 | Confident | 91 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 110.3 | -172.3 | -50.9 | -175.2 | 0 | 0 | 0 | 108.1 | W499 L504 V507 Y536 G540 L541 V543 L638 L641 | W499-I538 HydrophobicContact CE3-CD1 4.39Å; W499-I538 HydrophobicContact CH2-CD1 4.18Å; W499-I538 HydrophobicContact CH2-CG2 4.31Å; W499-I538 HydrophobicContact CZ3-CD1 3.77Å; L504-I538 HydrophobicContact CD1-CD1 4.36Å; V507-I538 HydrophobicContact CG1-CG2 4.48Å; V507-I538 HydrophobicContact CG2-CD1 4.25Å; V507-I538 HydrophobicContact CG2-CG2 4.35Å; Y536-I538 HydrophobicContact CG-CD1 4.43Å; I538-G540 PolarHBondContact O-N 3.4Å; I538-G540 VanDerWaalsContact O-N 3.13Å; I538-L541 PolarHBondContact N-O 3.22Å; I538-L541 WeakPolarHBondContact O-CB 3.44Å; I538-L541 PolarHBondContact O-N 2.81Å; I538-V543 HydrophobicContact CD1-CB 4.25Å; I538-V543 HydrophobicContact CD1-CG2 4.14Å; I538-V543 HydrophobicContact CG1-CG2 4.41Å; I538-L638 HydrophobicContact CD1-CD1 4Å; I538-L638 HydrophobicContact CG1-CB 4.37Å; I538-L638 HydrophobicContact CG1-CD1 4.11Å; I538-L638 HydrophobicContact CG1-CG 4.48Å; I538-L641 HydrophobicContact CG2-CD1 3.26Å |
| 539 | S | 82.7 | Confident | 90.7 | Very high | 51 Ų | 51 | 20.1 Ų | 20.1 | 36% | 0.357 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 39.8 | -179.1 | -61.2 | 0 | 0 | 0 | 0 | 113.9 | L541 | S539-L541 VanDerWaalsContact C-N 3.27Å; S539-L541 PolarHBondContact O-N 2.96Å |
| 540 | G | 82.2 | Confident | 90.5 | Very high | 45 Ų | 45 | 19.4 Ų | 19.4 | 46% | 0.464 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R537 I538 | R537-G540 PolarHBondContact NH1-O 3.35Å; R537-G540 PolarHBondContact NH2-O 3.16Å; I538-G540 PolarHBondContact O-N 3.4Å; I538-G540 VanDerWaalsContact O-N 3.13Å |
| 541 | L | 88.9 | Confident | 89.9 | Confident | 71 Ų | 71 | 21.5 Ų | 21.5 | 37% | 0.372 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 147.1 | 170.2 | -59.6 | 173.6 | 0 | 0 | 0 | 110.6 | R537 I538 S539 V543 | R537-L541 WeakPolarHBondContact CA-O 3.41Å; I538-L541 PolarHBondContact N-O 3.22Å; I538-L541 WeakPolarHBondContact O-CB 3.44Å; I538-L541 PolarHBondContact O-N 2.81Å; S539-L541 VanDerWaalsContact C-N 3.27Å; S539-L541 PolarHBondContact O-N 2.96Å; L541-V543 HydrophobicContact CB-CG2 4.4Å |
| 542 | T | 94.3 | Very high | 88.1 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 15% | 0.147 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.9 | 168.3 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | I496 Q497 F535 Y536 R537 | I496-T542 WeakPolarHBondContact CA-O 3.41Å; I496-T542 HydrophobicContact CG1-CG2 4.1Å; I496-T542 HydrophobicContact CG2-CG2 4.46Å; Q497-T542 PolarHBondContact N-O 2.66Å; F535-T542 HydrophobicContact CD1-CG2 4.13Å; Y536-T542 WeakPolarHBondContact O-CA 3.45Å; R537-T542 PolarHBondContact NH1-OG1 3.29Å |
| 543 | V | 95.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.6 | -174.9 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | Q497 W499 F535 Y536 I538 L541 | Q497-V543 WeakPolarHBondContact O-CA 3.15Å; W499-V543 HydrophobicContact CB-CG1 3.73Å; W499-V543 HydrophobicContact CD2-CB 4.39Å; W499-V543 HydrophobicContact CD2-CG1 3.46Å; W499-V543 VanDerWaalsContact CD2-CG1 3.46Å; W499-V543 HydrophobicContact CD2-CG2 3.99Å; W499-V543 HydrophobicContact CE3-CG1 3.78Å; W499-V543 HydrophobicContact CE3-CG2 4.36Å; W499-V543 HydrophobicContact CG-CG1 3.44Å; W499-V543 VanDerWaalsContact CG-CG1 3.44Å; W499-V543 HydrophobicContact CH2-CG2 4.18Å; W499-V543 HydrophobicContact CZ2-CG2 3.8Å; W499-V543 HydrophobicContact CZ3-CG2 4.45Å; F535-V543 CarbonylContact C-O 3.55Å; F535-V543 WeakPolarHBondContact CA-O 3.15Å; Y536-V543 PolarHBondContact N-O 3.05Å; Y536-V543 PolarHBondContact O-N 3.39Å; I538-V543 HydrophobicContact CD1-CB 4.25Å; I538-V543 HydrophobicContact CD1-CG2 4.14Å; I538-V543 HydrophobicContact CG1-CG2 4.41Å; L541-V543 HydrophobicContact CB-CG2 4.4Å |
| 544 | L | 96.3 | Very high | 84 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.7 | 167.3 | 179.4 | 63.6 | 0 | 0 | 0 | 108.3 | V468 I496 Q497 I498 W499 F535 T586 C588 | V468-L544 HydrophobicContact CB-CD2 4.48Å; V468-L544 HydrophobicContact CG2-CD2 4.3Å; I496-L544 HydrophobicContact CG2-CB 4.09Å; Q497-L544 PolarHBondContact O-N 3.48Å; I498-L544 WeakPolarHBondContact CA-O 3.18Å; I498-L544 HydrophobicContact CD1-CB 3.95Å; I498-L544 HydrophobicContact CD1-CD2 4.11Å; I498-L544 HydrophobicContact CD1-CG 4.33Å; W499-L544 PolarHBondContact N-O 3.37Å; F535-L544 HydrophobicContact CD1-CB 4.04Å; F535-L544 HydrophobicContact CD1-CD1 4.18Å; F535-L544 HydrophobicContact CE1-CB 3.96Å; F535-L544 HydrophobicContact CE1-CD1 4.07Å; F535-L544 HydrophobicContact CE1-CD2 4.07Å; F535-L544 HydrophobicContact CE1-CG 4.26Å; F535-L544 HydrophobicContact CZ-CD1 4.44Å; F535-L544 HydrophobicContact CZ-CD2 4.44Å; L544-T586 HydrophobicContact CD1-CG2 4.22Å; L544-T586 HydrophobicContact CD2-CG2 4.4Å; L544-C588 HydrophobicContact CD2-CB 3.88Å; L544-C588 HydrophobicContact CG-CB 3.97Å |
| 545 | C | 94.6 | Very high | 82.5 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.6 | -179.4 | -159.8 | 0 | 0 | 0 | 0 | 110 | W499 P501 T532 | W499-C545 WeakPolarHBondContact O-CA 3.28Å; W499-C545 PolarHBondContact O-SG 3.5Å; W499-C545 VanDerWaalsContact O-SG 3.41Å; P501-C545 VanDerWaalsContact CA-SG 3.58Å; P501-C545 VanDerWaalsContact N-SG 3.37Å; T532-C545 HydrophobicContact CG2-CB 4.4Å |
| 546 | Y | 93.3 | Very high | 81.8 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -85 | 153.9 | 166.6 | 55.7 | -99.9 | 0 | 0 | 0 | 111 | I498 W499 S500 P501 F550 E551 L590 L654 | I498-Y546 HydrophobicContact CG2-CD1 3.65Å; I498-Y546 HydrophobicContact CG2-CE1 4.17Å; W499-Y546 WeakPolarHBondContact O-CD1 3.45Å; W499-Y546 WeakPolarHBondContact O-CE1 3.37Å; W499-Y546 PolarHBondContact O-N 2.85Å; S500-Y546 WeakPolarHBondContact CB-OH 3.11Å; P501-Y546 WeakPolarHBondContact CD-O 3.31Å; P501-Y546 VanDerWaalsContact CG-O 3.23Å; P501-Y546 WeakPolarHBondContact CG-O 3.47Å; Y546-F550 HydrophobicContact CD2-CB 3.86Å; Y546-F550 HydrophobicContact CE2-CB 4.31Å; Y546-E551 HydrophobicContact CE2-CB 4.39Å; Y546-L590 HydrophobicContact CD1-CD2 4Å; Y546-L590 HydrophobicContact CD2-CD2 4.34Å; Y546-L590 HydrophobicContact CE1-CD2 3.91Å; Y546-L590 HydrophobicContact CE2-CD2 4.26Å; Y546-L590 HydrophobicContact CG-CB 4.42Å; Y546-L590 HydrophobicContact CG-CD2 4.2Å; Y546-L654 HydrophobicContact CE1-CD2 4.42Å |
| 547 | P | 89.1 | Confident | 81.2 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 152.9 | 175.8 | -27.5 | 35.4 | 0 | 0 | 0 | 114.3 | L549 F550 F587 C588 | P547-L549 HydrophobicContact CB-CB 4.34Å; P547-L549 PolarHBondContact O-N 2.81Å; P547-L549 VanDerWaalsContact O-N 3.08Å; P547-F550 HydrophobicContact CB-CD2 4.28Å; P547-F550 HydrophobicContact CB-CE2 4.47Å; P547-F550 HydrophobicContact CG-CD2 4.33Å; P547-F550 HydrophobicContact CG-CE2 4.22Å; P547-F550 PolarHBondContact O-N 2.68Å; P547-F587 HydrophobicContact CG-CD2 4.21Å; P547-F587 HydrophobicContact CG-CE1 4.18Å; P547-F587 HydrophobicContact CG-CE2 3.6Å; P547-F587 HydrophobicContact CG-CZ 3.59Å; P547-C588 WeakPolarHBondContact CD-O 3.17Å |
| 548 | I | 82 | Confident | 80.7 | Confident | 64 Ų | 64 | 39.8 Ų | 39.8 | 33% | 0.328 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -57 | -26 | 176.8 | -163.3 | 158.6 | 0 | 0 | 0 | 113.3 | P501 P526 F550 E551 S787 | P501-I548 HydrophobicContact CG-CB 4.31Å; P526-I548 HydrophobicContact CB-CD1 3.82Å; I548-F550 PolarHBondContact O-N 2.81Å; I548-F550 VanDerWaalsContact O-N 3.09Å; I548-E551 WeakPolarHBondContact O-CB 3.32Å; I548-E551 PolarHBondContact O-N 2.92Å; I548-S787 WeakPolarHBondContact CD1-OG 3.46Å |
| 549 | L | 80 | Confident | 80.6 | Confident | 31 Ų | 31 | 41 Ų | 41 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -47.3 | -37.6 | 171.2 | 176.6 | 60.5 | 0 | 0 | 0 | 112.4 | P547 L558 V564 E567 | P547-L549 HydrophobicContact CB-CB 4.34Å; P547-L549 PolarHBondContact O-N 2.81Å; P547-L549 VanDerWaalsContact O-N 3.08Å; L549-L558 HydrophobicContact CD1-CD2 4.2Å; L549-L558 HydrophobicContact CG-CD2 4.37Å; L549-L558 WeakPolarHBondContact O-CD1 3.31Å; L549-L558 WeakPolarHBondContact O-CD2 3.49Å; L549-L558 WeakPolarHBondContact O-CG 3.31Å; L549-V564 HydrophobicContact CD2-CG1 4.45Å; L549-E567 HydrophobicContact CD1-CB 4.23Å; L549-E567 HydrophobicContact CD1-CG 4.09Å; L549-E567 HydrophobicContact CD2-CB 3.96Å; L549-E567 HydrophobicContact CD2-CG 4.04Å |
| 550 | F | 84.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -96.8 | 2.9 | -175.8 | -54.8 | -68.3 | 0 | 0 | 0 | 114.3 | Y546 P547 I548 S552 L558 V564 F587 F589 L590 R592 M595 | Y546-F550 HydrophobicContact CD2-CB 3.86Å; Y546-F550 HydrophobicContact CE2-CB 4.31Å; P547-F550 HydrophobicContact CB-CD2 4.28Å; P547-F550 HydrophobicContact CB-CE2 4.47Å; P547-F550 HydrophobicContact CG-CD2 4.33Å; P547-F550 HydrophobicContact CG-CE2 4.22Å; P547-F550 PolarHBondContact O-N 2.68Å; I548-F550 PolarHBondContact O-N 2.81Å; I548-F550 VanDerWaalsContact O-N 3.09Å; F550-S552 PolarHBondContact O-N 3.04Å; F550-L558 HydrophobicContact CD1-CD2 4.4Å; F550-V564 HydrophobicContact CE1-CG1 4.26Å; F550-F587 HydrophobicContact CE2-CE1 4.13Å; F550-F587 HydrophobicContact CE2-CZ 4.18Å; F550-F589 HydrophobicContact CE1-CD1 4.14Å; F550-F589 AromaticContact CE1-CE1 3.84Å; F550-F589 HydrophobicContact CE1-CE1 3.84Å; F550-F589 HydrophobicContact CE1-CZ 4.08Å; F550-F589 HydrophobicContact CE2-CG 4.38Å; F550-F589 AromaticContact CZ-CD1 3.76Å; F550-F589 HydrophobicContact CZ-CD1 3.76Å; F550-F589 AromaticContact CZ-CD2 3.89Å; F550-F589 HydrophobicContact CZ-CD2 3.89Å; F550-F589 AromaticContact CZ-CE1 3.76Å; F550-F589 HydrophobicContact CZ-CE1 3.76Å; F550-F589 AromaticContact CZ-CE2 3.89Å; F550-F589 HydrophobicContact CZ-CE2 3.89Å; F550-F589 AromaticContact CZ-CG 3.82Å; F550-F589 HydrophobicContact CZ-CG 3.82Å; F550-F589 AromaticContact CZ-CZ 3.82Å; F550-F589 HydrophobicContact CZ-CZ 3.82Å; F550-L590 HydrophobicContact CB-CB 3.99Å; F550-L590 HydrophobicContact CB-CD2 4.27Å; F550-L590 HydrophobicContact CD1-CB 4.45Å; F550-L590 VanDerWaalsContact CD1-O 3.28Å; F550-L590 WeakPolarHBondContact CD1-O 3.49Å; F550-L590 HydrophobicContact CD2-CB 4.25Å; F550-L590 WeakPolarHBondContact CE1-O 3.16Å; F550-L590 HydrophobicContact CG-CB 3.99Å; F550-R592 PolarHBondContact O-NE 2.83Å; F550-R592 VanDerWaalsContact O-NE 3.11Å; F550-R592 PolarHBondContact O-NH2 2.74Å; F550-M595 HydrophobicContact CD1-CE 3.91Å; F550-M595 HydrophobicContact CE1-CE 4.06Å |
| 551 | E | 77 | Confident | 81.3 | Confident | 51 Ų | 51 | 36.9 Ų | 36.9 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | trans | -75.9 | 115.3 | 179.6 | -164.6 | 153.5 | -141.7 | 0 | 0 | 110.4 | S500 D502 Y546 I548 Q553 | S500-E551 WeakPolarHBondContact CB-OE1 3.26Å; S500-E551 PolarHBondContact OG-OE1 3.36Å; D502-E551 VanDerWaalsContact CB-OE1 3.27Å; D502-E551 WeakPolarHBondContact CB-OE1 3.16Å; D502-E551 PolarHBondContact N-OE1 2.91Å; D502-E551 VanDerWaalsContact N-OE1 3.16Å; Y546-E551 HydrophobicContact CE2-CB 4.39Å; I548-E551 WeakPolarHBondContact O-CB 3.32Å; I548-E551 PolarHBondContact O-N 2.92Å; E551-Q553 PolarHBondContact O-N 3.09Å | ||
| 552 | S | 55.5 | Low | 81.4 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 47% | 0.469 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 40.7 | -157.3 | 54.6 | 0 | 0 | 0 | 0 | 116.3 | F550 R592 | F550-S552 PolarHBondContact O-N 3.04Å; S552-R592 PolarHBondContact OG-NH1 3.5Å; S552-R592 PolarHBondContact OG-NH2 3.23Å |
| 553 | Q | 51.6 | Low | 81.1 | Confident | 174 Ų | 174 | 35.6 Ų | 35.6 | 81% | 0.813 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.5 | -5.7 | 177.3 | -74 | -169.5 | -24.3 | 0 | 0 | 116.3 | E551 | E551-Q553 PolarHBondContact O-N 3.09Š|
| 554 | E | 52.1 | Low | 80.8 | Confident | 135 Ų | 135 | 35.5 Ų | 35.5 | 63% | 0.631 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -139.1 | -4.8 | -168.1 | -65 | -170.8 | 163.3 | 0 | 0 | 117.3 | ||
| 555 | F | 63.3 | Low | 80.6 | Confident | 50 Ų | 50 | 35.8 Ų | 35.8 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | trans | -148.3 | 126.5 | -179.9 | -140 | -121 | 0 | 0 | 0 | 115.2 | L557 A786 L848 | F555-L557 VanDerWaalsContact C-N 3.31Å; F555-L557 HydrophobicContact CD1-CB 4.02Å; F555-L557 HydrophobicContact CD1-CD1 3.57Å; F555-L557 HydrophobicContact CD1-CG 3.46Å; F555-L557 VanDerWaalsContact CD1-CG 3.46Å; F555-L557 HydrophobicContact CE1-CB 4.42Å; F555-L557 HydrophobicContact CE1-CD1 3.31Å; F555-L557 HydrophobicContact CE1-CD2 4.33Å; F555-L557 HydrophobicContact CE1-CG 3.38Å; F555-L557 PolarHBondContact O-N 3.25Å; F555-A786 HydrophobicContact CD1-CB 4.34Å; F555-A786 HydrophobicContact CD2-CB 4.01Å; F555-A786 HydrophobicContact CE1-CB 3.88Å; F555-A786 HydrophobicContact CE2-CB 3.55Å; F555-A786 HydrophobicContact CG-CB 4.42Å; F555-A786 HydrophobicContact CZ-CB 3.5Å; F555-A786 VanDerWaalsContact CZ-CB 3.5Å; F555-L848 HydrophobicContact CE1-CD1 4.16Å | ||
| 556 | Y | 80.7 | Confident | 80.2 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -76.2 | -8.6 | -170.5 | 57.1 | -94.2 | 0 | 0 | 0 | 115.3 | L558 H559 W772 V775 A779 S841 E845 P939 | Y556-L558 PolarHBondContact O-N 3.03Å; Y556-H559 PolarHBondContact O-N 2.91Å; Y556-H559 VanDerWaalsContact O-N 3.08Å; Y556-H559 PolarHBondContact O-ND1 3.1Å; Y556-W772 AromaticContact CD2-CZ3 3.97Å; Y556-W772 HydrophobicContact CD2-CZ3 3.97Å; Y556-W772 HydrophobicContact CE2-CZ3 4.47Å; Y556-V775 HydrophobicContact CD1-CG1 4.27Å; Y556-V775 HydrophobicContact CD2-CG1 3.53Å; Y556-V775 HydrophobicContact CE2-CG1 4.37Å; Y556-V775 HydrophobicContact CG-CG1 3.44Å; Y556-V775 VanDerWaalsContact CG-CG1 3.44Å; Y556-A779 HydrophobicContact CD1-CB 3.39Å; Y556-A779 HydrophobicContact CE1-CB 3.47Å; Y556-A779 VanDerWaalsContact CE1-CB 3.47Å; Y556-S841 WeakPolarHBondContact OH-CB 3.38Å; Y556-E845 WeakPolarHBondContact CE2-OE1 3.44Å; Y556-E845 PolarHBondContact OH-OE1 3.16Å; Y556-P939 HydrophobicContact CE2-CG 4.44Å |
| 557 | L | 81.9 | Confident | 79.9 | Confident | 27 Ų | 27 | 40.9 Ų | 40.9 | 14% | 0.141 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -57.3 | -22.9 | -178.9 | -71.7 | -174.4 | 0 | 0 | 0 | 113.9 | F555 H559 D560 V563 L848 P939 | F555-L557 VanDerWaalsContact C-N 3.31Å; F555-L557 HydrophobicContact CD1-CB 4.02Å; F555-L557 HydrophobicContact CD1-CD1 3.57Å; F555-L557 HydrophobicContact CD1-CG 3.46Å; F555-L557 VanDerWaalsContact CD1-CG 3.46Å; F555-L557 HydrophobicContact CE1-CB 4.42Å; F555-L557 HydrophobicContact CE1-CD1 3.31Å; F555-L557 HydrophobicContact CE1-CD2 4.33Å; F555-L557 HydrophobicContact CE1-CG 3.38Å; F555-L557 PolarHBondContact O-N 3.25Å; L557-H559 PolarHBondContact O-N 2.77Å; L557-H559 VanDerWaalsContact O-N 3.11Å; L557-D560 PolarHBondContact O-N 3.27Å; L557-V563 HydrophobicContact CB-CG1 4.19Å; L557-V563 HydrophobicContact CD1-CG1 4.17Å; L557-V563 HydrophobicContact CD2-CG1 4.5Å; L557-L848 HydrophobicContact CD1-CD1 4.32Å; L557-P939 HydrophobicContact CD2-CB 3.54Å; L557-P939 HydrophobicContact CD2-CG 3.53Å |
| 558 | L | 80.7 | Confident | 79.9 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 12% | 0.12 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61.2 | -16.2 | 175.9 | -77.2 | 178 | 0 | 0 | 0 | 114 | L549 F550 Y556 D560 M561 V564 M595 | L549-L558 HydrophobicContact CD1-CD2 4.2Å; L549-L558 HydrophobicContact CG-CD2 4.37Å; L549-L558 WeakPolarHBondContact O-CD1 3.31Å; L549-L558 WeakPolarHBondContact O-CD2 3.49Å; L549-L558 WeakPolarHBondContact O-CG 3.31Å; F550-L558 HydrophobicContact CD1-CD2 4.4Å; Y556-L558 PolarHBondContact O-N 3.03Å; L558-D560 VanDerWaalsContact C-N 3.29Å; L558-M561 WeakPolarHBondContact O-CE 3.44Å; L558-V564 HydrophobicContact CD2-CG2 3.83Å; L558-M595 HydrophobicContact CD2-CE 4.12Å |
| 559 | H | 86.7 | Confident | 80.3 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 12% | 0.12 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -85 | -0.9 | 174.3 | -56 | 97.3 | 0 | 0 | 0 | 113 | Y556 L557 V598 Q770 W772 | Y556-H559 PolarHBondContact O-N 2.91Å; Y556-H559 VanDerWaalsContact O-N 3.08Å; Y556-H559 PolarHBondContact O-ND1 3.1Å; L557-H559 PolarHBondContact O-N 2.77Å; L557-H559 VanDerWaalsContact O-N 3.11Å; H559-V598 WeakPolarHBondContact O-CG1 2.97Å; H559-Q770 PolarHBondContact O-NE2 3.31Å; H559-W772 HydrophobicContact CB-CH2 4.09Å |
| 560 | D | 89.5 | Confident | 80.5 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | trans | -107.7 | 100.8 | 169.3 | -172.1 | -24.6 | 0 | 0 | 0 | 109.3 | L557 L558 Q562 V563 V564 W772 P938 P939 C940 | L557-D560 PolarHBondContact O-N 3.27Å; L558-D560 VanDerWaalsContact C-N 3.29Å; D560-Q562 PolarHBondContact O-N 3.07Å; D560-Q562 WeakPolarHBondContact OD1-CB 3.45Å; D560-Q562 PolarHBondContact OD1-N 3.32Å; D560-V563 HydrophobicContact CB-CB 4.05Å; D560-V563 HydrophobicContact CB-CG2 3.98Å; D560-V563 PolarHBondContact O-N 3.05Å; D560-V563 VanDerWaalsContact O-N 3.07Å; D560-V563 PolarHBondContact OD1-N 2.95Å; D560-V564 PolarHBondContact O-N 2.94Å; D560-W772 HydrophobicContact CB-CH2 3.71Å; D560-W772 HydrophobicContact CB-CZ2 3.84Å; D560-P938 WeakPolarHBondContact OD2-CB 3.28Å; D560-P939 WeakPolarHBondContact OD2-CD 3.37Å; D560-C940 PolarHBondContact OD1-SG 3.23Å; D560-C940 VanDerWaalsContact OD2-CB 3.3Å; D560-C940 WeakPolarHBondContact OD2-CB 3.44Å; D560-C940 PolarHBondContact OD2-N 2.8Å; D560-C940 PolarHBondContact OD2-SG 3.4Å | ||
| 561 | M | 90.2 | Very high | 80.7 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -28.4 | -177.6 | -67 | -60.7 | 97.1 | 0 | 0 | 112.7 | L558 V564 I565 M595 V598 L604 | L558-M561 WeakPolarHBondContact O-CE 3.44Å; M561-V564 HydrophobicContact CE-CG2 4.19Å; M561-V564 PolarHBondContact O-N 3.09Å; M561-I565 VanDerWaalsContact O-CD1 3.28Å; M561-I565 WeakPolarHBondContact O-CD1 3.39Å; M561-I565 WeakPolarHBondContact O-CG1 3.45Å; M561-I565 PolarHBondContact O-N 3.24Å; M561-M595 HydrophobicContact CE-CB 4.32Å; M561-M595 HydrophobicContact CE-CG 4.09Å; M561-M595 HydrophobicContact SD-CB 4.05Å; M561-M595 HydrophobicContact SD-CG 4.3Å; M561-V598 HydrophobicContact CE-CB 4.43Å; M561-V598 HydrophobicContact CE-CG1 4.19Å; M561-V598 HydrophobicContact CG-CB 4.48Å; M561-V598 HydrophobicContact CG-CG1 3.94Å; M561-L604 HydrophobicContact SD-CB 4.39Å; M561-L604 HydrophobicContact SD-CD2 3.86Å |
| 562 | Q | 90.8 | Very high | 81.4 | Confident | 45 Ų | 45 | 39 Ų | 39 | 21% | 0.21 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -41.3 | 177.4 | -173.2 | 61.2 | 43.5 | 0 | 0 | 110.7 | D560 I565 D566 C940 | D560-Q562 PolarHBondContact O-N 3.07Å; D560-Q562 WeakPolarHBondContact OD1-CB 3.45Å; D560-Q562 PolarHBondContact OD1-N 3.32Å; Q562-I565 PolarHBondContact O-N 2.85Å; Q562-D566 VanDerWaalsContact NE2-CG 3.32Å; Q562-D566 PolarHBondContact NE2-OD1 2.85Å; Q562-D566 VanDerWaalsContact NE2-OD1 3.12Å; Q562-D566 PolarHBondContact NE2-OD2 3.24Å; Q562-D566 WeakPolarHBondContact O-CB 3.49Å; Q562-D566 VanDerWaalsContact O-CG 3.29Å; Q562-D566 PolarHBondContact O-N 2.9Å; Q562-C940 HydrophobicContact CB-CB 3.76Å; Q562-C940 HydrophobicContact CG-CB 3.8Å |
| 563 | V | 87.8 | Confident | 82.9 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 14% | 0.139 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 173.5 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L557 D560 I565 D566 E567 P939 C940 | L557-V563 HydrophobicContact CB-CG1 4.19Å; L557-V563 HydrophobicContact CD1-CG1 4.17Å; L557-V563 HydrophobicContact CD2-CG1 4.5Å; D560-V563 HydrophobicContact CB-CB 4.05Å; D560-V563 HydrophobicContact CB-CG2 3.98Å; D560-V563 PolarHBondContact O-N 3.05Å; D560-V563 VanDerWaalsContact O-N 3.07Å; D560-V563 PolarHBondContact OD1-N 2.95Å; V563-I565 VanDerWaalsContact C-N 3.3Å; V563-I565 PolarHBondContact O-N 2.84Å; V563-D566 PolarHBondContact O-N 3.38Å; V563-E567 WeakPolarHBondContact O-CB 3.48Å; V563-E567 PolarHBondContact O-N 2.78Å; V563-P939 HydrophobicContact CG2-CB 3.92Å; V563-C940 HydrophobicContact CG2-CB 3.96Å |
| 564 | V | 89.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 176.5 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | L549 F550 L558 D560 M561 A568 F589 | L549-V564 HydrophobicContact CD2-CG1 4.45Å; F550-V564 HydrophobicContact CE1-CG1 4.26Å; L558-V564 HydrophobicContact CD2-CG2 3.83Å; D560-V564 PolarHBondContact O-N 2.94Å; M561-V564 HydrophobicContact CE-CG2 4.19Å; M561-V564 PolarHBondContact O-N 3.09Å; V564-A568 WeakPolarHBondContact O-CB 3.28Å; V564-A568 PolarHBondContact O-N 2.78Å; V564-F589 HydrophobicContact CG1-CZ 4.19Å |
| 565 | I | 91.7 | Very high | 86.3 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 177.8 | -69.2 | 162.3 | 0 | 0 | 0 | 110.9 | M561 Q562 V563 A568 K569 K603 L604 F607 | M561-I565 VanDerWaalsContact O-CD1 3.28Å; M561-I565 WeakPolarHBondContact O-CD1 3.39Å; M561-I565 WeakPolarHBondContact O-CG1 3.45Å; M561-I565 PolarHBondContact O-N 3.24Å; Q562-I565 PolarHBondContact O-N 2.85Å; V563-I565 VanDerWaalsContact C-N 3.3Å; V563-I565 PolarHBondContact O-N 2.84Å; I565-A568 PolarHBondContact O-N 2.9Å; I565-K569 HydrophobicContact CG2-CD 4.13Å; I565-K569 VanDerWaalsContact O-CG 3.29Å; I565-K569 WeakPolarHBondContact O-CG 3.32Å; I565-K569 PolarHBondContact O-N 3.23Å; I565-K603 HydrophobicContact CD1-CB 3.98Å; I565-L604 HydrophobicContact CD1-CB 4.44Å; I565-L604 HydrophobicContact CG1-CD1 4.1Å; I565-F607 HydrophobicContact CB-CD1 4.47Å; I565-F607 HydrophobicContact CB-CG 4.43Å; I565-F607 HydrophobicContact CD1-CB 4.08Å; I565-F607 HydrophobicContact CG1-CB 3.99Å; I565-F607 HydrophobicContact CG1-CD1 3.96Å; I565-F607 HydrophobicContact CG1-CG 4.02Å; I565-F607 HydrophobicContact CG2-CB 4.13Å; I565-F607 HydrophobicContact CG2-CD1 4.2Å; I565-F607 HydrophobicContact CG2-CD2 3.74Å; I565-F607 HydrophobicContact CG2-CE2 4.15Å; I565-F607 HydrophobicContact CG2-CG 3.75Å |
| 566 | D | 87.4 | Confident | 87.5 | Confident | 37 Ų | 37 | 24.6 Ų | 24.6 | 20% | 0.198 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.5 | -32.4 | -175.6 | -67.5 | -24.8 | 0 | 0 | 0 | 112.3 | Q562 V563 K569 T570 | Q562-D566 VanDerWaalsContact NE2-CG 3.32Å; Q562-D566 PolarHBondContact NE2-OD1 2.85Å; Q562-D566 VanDerWaalsContact NE2-OD1 3.12Å; Q562-D566 PolarHBondContact NE2-OD2 3.24Å; Q562-D566 WeakPolarHBondContact O-CB 3.49Å; Q562-D566 VanDerWaalsContact O-CG 3.29Å; Q562-D566 PolarHBondContact O-N 2.9Å; V563-D566 PolarHBondContact O-N 3.38Å; D566-K569 IonicContact OD1-NZ 3.56Å; D566-K569 PolarHBondContact OD1-NZ 3.4Å; D566-T570 WeakPolarHBondContact O-CB 3.37Å; D566-T570 PolarHBondContact O-N 2.89Å; D566-T570 PolarHBondContact O-OG1 2.82Å |
| 567 | E | 85.5 | Confident | 87.4 | Confident | 84 Ų | 84 | 28 Ų | 28 | 39% | 0.393 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -66.4 | -46 | 170.7 | -162.8 | 71.3 | -179 | 0 | 0 | 110.5 | L549 V563 K569 T570 D571 | L549-E567 HydrophobicContact CD1-CB 4.23Å; L549-E567 HydrophobicContact CD1-CG 4.09Å; L549-E567 HydrophobicContact CD2-CB 3.96Å; L549-E567 HydrophobicContact CD2-CG 4.04Å; V563-E567 WeakPolarHBondContact O-CB 3.48Å; V563-E567 PolarHBondContact O-N 2.78Å; E567-K569 VanDerWaalsContact C-N 3.32Å; E567-K569 PolarHBondContact O-N 2.93Å; E567-T570 CarbonylContact O-C 3.37Å; E567-T570 WeakPolarHBondContact O-CA 3.44Å; E567-T570 WeakPolarHBondContact O-CB 3.5Å; E567-T570 PolarHBondContact O-N 3.46Å; E567-D571 PolarHBondContact O-N 3.43Å |
| 568 | A | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V564 I565 D571 F572 F589 F607 | V564-A568 WeakPolarHBondContact O-CB 3.28Å; V564-A568 PolarHBondContact O-N 2.78Å; I565-A568 PolarHBondContact O-N 2.9Å; A568-D571 PolarHBondContact O-N 3.37Å; A568-F572 WeakPolarHBondContact O-CD1 3.33Å; A568-F572 WeakPolarHBondContact O-CD2 3.49Å; A568-F572 WeakPolarHBondContact O-CG 3.3Å; A568-F572 PolarHBondContact O-N 2.85Å; A568-F589 HydrophobicContact CB-CD2 4.49Å; A568-F589 HydrophobicContact CB-CE2 3.8Å; A568-F607 HydrophobicContact CB-CE1 4.19Å; A568-F607 HydrophobicContact CB-CZ 4.16Å |
| 569 | K | 90.6 | Very high | 87.6 | Confident | 36 Ų | 36 | 29.1 Ų | 29.1 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 172.8 | -70.7 | 167.5 | -176.2 | 162.9 | 0 | 111.7 | I565 D566 E567 D571 F572 L573 F607 V616 Q617 | I565-K569 HydrophobicContact CG2-CD 4.13Å; I565-K569 VanDerWaalsContact O-CG 3.29Å; I565-K569 WeakPolarHBondContact O-CG 3.32Å; I565-K569 PolarHBondContact O-N 3.23Å; D566-K569 IonicContact OD1-NZ 3.56Å; D566-K569 PolarHBondContact OD1-NZ 3.4Å; E567-K569 VanDerWaalsContact C-N 3.32Å; E567-K569 PolarHBondContact O-N 2.93Å; K569-D571 VanDerWaalsContact C-N 3.31Å; K569-D571 PolarHBondContact O-N 3.05Å; K569-F572 PolarHBondContact O-N 3.11Å; K569-L573 PolarHBondContact O-N 3.45Å; K569-F607 HydrophobicContact CG-CE2 3.83Å; K569-F607 HydrophobicContact CG-CZ 4.3Å; K569-V616 HydrophobicContact CB-CG1 4.48Å; K569-V616 HydrophobicContact CG-CG1 3.72Å; K569-Q617 HydrophobicContact CD-CG 4.34Å |
| 570 | T | 85 | Confident | 87.2 | Confident | 53 Ų | 53 | 31 Ų | 31 | 33% | 0.325 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | D566 E567 F572 L573 F574 | D566-T570 WeakPolarHBondContact O-CB 3.37Å; D566-T570 PolarHBondContact O-N 2.89Å; D566-T570 PolarHBondContact O-OG1 2.82Å; E567-T570 CarbonylContact O-C 3.37Å; E567-T570 WeakPolarHBondContact O-CA 3.44Å; E567-T570 WeakPolarHBondContact O-CB 3.5Å; E567-T570 PolarHBondContact O-N 3.46Å; T570-F572 VanDerWaalsContact C-N 3.35Å; T570-F572 PolarHBondContact O-N 3.43Å; T570-L573 PolarHBondContact O-N 2.82Å; T570-F574 VanDerWaalsContact O-CB 3.25Å; T570-F574 WeakPolarHBondContact O-CB 3.37Å; T570-F574 PolarHBondContact O-N 2.88Å |
| 571 | D | 87.3 | Confident | 86.8 | Confident | 19 Ų | 19 | 31.2 Ų | 31.2 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 174.3 | -75.6 | -23.5 | 0 | 0 | 0 | 111.8 | Q529 E567 A568 K569 F574 L575 F587 | Q529-D571 HydrophobicContact CG-CB 3.94Å; Q529-D571 PolarHBondContact OE1-OD2 2.82Å; E567-D571 PolarHBondContact O-N 3.43Å; A568-D571 PolarHBondContact O-N 3.37Å; K569-D571 VanDerWaalsContact C-N 3.31Å; K569-D571 PolarHBondContact O-N 3.05Å; D571-F574 PolarHBondContact O-N 3.47Å; D571-L575 WeakPolarHBondContact O-CB 3.33Å; D571-L575 VanDerWaalsContact O-CG 3.26Å; D571-L575 WeakPolarHBondContact O-CG 3.31Å; D571-L575 PolarHBondContact O-N 2.92Å; D571-F587 HydrophobicContact CB-CE2 3.84Å |
| 572 | F | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 176.5 | -63.6 | -16.7 | 0 | 0 | 0 | 111.7 | I465 V467 A568 K569 T570 F574 L575 S576 F587 F607 M611 V616 A619 V621 | I465-F572 HydrophobicContact CD1-CB 3.79Å; I465-F572 HydrophobicContact CD1-CD1 4.41Å; I465-F572 HydrophobicContact CD1-CG 4.33Å; I465-F572 WeakPolarHBondContact CD1-O 3.4Å; I465-F572 HydrophobicContact CG2-CD1 4.37Å; V467-F572 HydrophobicContact CG2-CE1 3.97Å; V467-F572 HydrophobicContact CG2-CZ 3.88Å; A568-F572 WeakPolarHBondContact O-CD1 3.33Å; A568-F572 WeakPolarHBondContact O-CD2 3.49Å; A568-F572 WeakPolarHBondContact O-CG 3.3Å; A568-F572 PolarHBondContact O-N 2.85Å; K569-F572 PolarHBondContact O-N 3.11Å; T570-F572 VanDerWaalsContact C-N 3.35Å; T570-F572 PolarHBondContact O-N 3.43Å; F572-F574 VanDerWaalsContact C-N 3.29Å; F572-F574 PolarHBondContact O-N 3.39Å; F572-L575 PolarHBondContact O-N 3.32Å; F572-S576 WeakPolarHBondContact O-CB 3.43Å; F572-S576 PolarHBondContact O-N 3.15Å; F572-F587 HydrophobicContact CD1-CD2 4.09Å; F572-F587 HydrophobicContact CD1-CE2 4.35Å; F572-F587 HydrophobicContact CD1-CG 4.44Å; F572-F587 HydrophobicContact CE1-CB 4.27Å; F572-F587 AromaticContact CE1-CD1 3.88Å; F572-F587 HydrophobicContact CE1-CD1 3.88Å; F572-F587 AromaticContact CE1-CD2 3.7Å; F572-F587 HydrophobicContact CE1-CD2 3.7Å; F572-F587 HydrophobicContact CE1-CE1 4.1Å; F572-F587 AromaticContact CE1-CE2 3.93Å; F572-F587 HydrophobicContact CE1-CE2 3.93Å; F572-F587 AromaticContact CE1-CG 3.69Å; F572-F587 HydrophobicContact CE1-CG 3.69Å; F572-F587 HydrophobicContact CE1-CZ 4.12Å; F572-F587 HydrophobicContact CZ-CD1 4.48Å; F572-F607 AromaticContact CE2-CZ 3.95Å; F572-F607 HydrophobicContact CE2-CZ 3.95Å; F572-M611 HydrophobicContact CE2-SD 3.69Å; F572-M611 HydrophobicContact CZ-SD 3.83Å; F572-V616 HydrophobicContact CD2-CB 4.2Å; F572-V616 HydrophobicContact CD2-CG1 4.01Å; F572-A619 HydrophobicContact CB-CB 3.89Å; F572-V621 HydrophobicContact CD2-CG1 3.85Å; F572-V621 HydrophobicContact CE2-CG1 4.11Å; F572-V621 HydrophobicContact CG-CG1 4.18Å |
| 573 | L | 87.7 | Confident | 86.2 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 25% | 0.251 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.1 | -173.6 | 62.2 | 0 | 0 | 0 | 111.2 | K569 T570 S576 N577 | K569-L573 PolarHBondContact O-N 3.45Å; T570-L573 PolarHBondContact O-N 2.82Å; L573-S576 PolarHBondContact O-N 3.04Å; L573-N577 VanDerWaalsContact O-CB 3.32Å; L573-N577 WeakPolarHBondContact O-CB 3.3Å; L573-N577 VanDerWaalsContact O-CG 3.28Å; L573-N577 PolarHBondContact O-N 2.92Å; L573-N577 PolarHBondContact O-ND2 3.48Å |
| 574 | F | 84.7 | Confident | 86.4 | Confident | 49 Ų | 49 | 45 Ų | 45 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.7 | 179 | -100.8 | 0 | 0 | 0 | 111.6 | I246 Q529 L530 T570 D571 F572 S576 N577 W578 | I246-F574 HydrophobicContact CD1-CE2 4.14Å; Q529-F574 HydrophobicContact CB-CD1 3.96Å; Q529-F574 HydrophobicContact CB-CE1 4.05Å; Q529-F574 HydrophobicContact CG-CD1 4.27Å; L530-F574 HydrophobicContact CD1-CE1 4.31Å; L530-F574 HydrophobicContact CD1-CZ 4.38Å; L530-F574 HydrophobicContact CD2-CE1 4.08Å; L530-F574 HydrophobicContact CG-CE1 3.79Å; L530-F574 HydrophobicContact CG-CZ 4.35Å; T570-F574 VanDerWaalsContact O-CB 3.25Å; T570-F574 WeakPolarHBondContact O-CB 3.37Å; T570-F574 PolarHBondContact O-N 2.88Å; D571-F574 PolarHBondContact O-N 3.47Å; F572-F574 VanDerWaalsContact C-N 3.29Å; F572-F574 PolarHBondContact O-N 3.39Å; F574-S576 PolarHBondContact O-N 3.1Å; F574-N577 PolarHBondContact O-N 3.4Å; F574-W578 AromaticContact CD2-CD1 3.22Å; F574-W578 HydrophobicContact CD2-CG 4.04Å; F574-W578 AromaticContact CD2-NE1 3.8Å; F574-W578 HydrophobicContact CE2-CB 4.29Å; F574-W578 AromaticContact CE2-CD1 3.49Å; F574-W578 VanDerWaalsContact CE2-CD1 3.49Å; F574-W578 AromaticContact CE2-CG 3.9Å; F574-W578 HydrophobicContact CE2-CG 3.9Å; F574-W578 AromaticContact CG-CD1 3.89Å; F574-W578 HydrophobicContact CZ-CB 4.39Å; F574-W578 HydrophobicContact CZ-CG 4.45Å; F574-W578 VanDerWaalsContact O-CB 3.31Å; F574-W578 WeakPolarHBondContact O-CB 3.5Å; F574-W578 PolarHBondContact O-N 3.34Å |
| 575 | L | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 175 | -72.7 | 169.6 | 0 | 0 | 0 | 111.5 | I465 Q529 L530 S533 D571 F572 N577 W579 P585 F587 | I465-L575 HydrophobicContact CD1-CB 3.91Å; I465-L575 HydrophobicContact CG1-CB 4.11Å; I465-L575 HydrophobicContact CG2-CD1 4Å; Q529-L575 HydrophobicContact CG-CD1 4.22Å; Q529-L575 HydrophobicContact CG-CD2 4.11Å; Q529-L575 HydrophobicContact CG-CG 3.97Å; L530-L575 HydrophobicContact CD2-CD2 3.97Å; S533-L575 WeakPolarHBondContact OG-CD1 3.21Å; D571-L575 WeakPolarHBondContact O-CB 3.33Å; D571-L575 VanDerWaalsContact O-CG 3.26Å; D571-L575 WeakPolarHBondContact O-CG 3.31Å; D571-L575 PolarHBondContact O-N 2.92Å; F572-L575 PolarHBondContact O-N 3.32Å; L575-N577 VanDerWaalsContact C-N 3.31Å; L575-N577 PolarHBondContact O-N 3.11Å; L575-W579 HydrophobicContact CD2-CE3 3.83Å; L575-W579 HydrophobicContact CD2-CZ3 4.19Å; L575-W579 WeakPolarHBondContact O-CB 3.17Å; L575-W579 PolarHBondContact O-N 2.86Å; L575-P585 HydrophobicContact CD1-CB 4.41Å; L575-P585 HydrophobicContact CD2-CB 4.05Å; L575-F587 HydrophobicContact CD1-CD2 4.05Å |
| 576 | S | 88.2 | Confident | 87 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.6 | -46.9 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | F572 L573 F574 | F572-S576 WeakPolarHBondContact O-CB 3.43Å; F572-S576 PolarHBondContact O-N 3.15Å; L573-S576 PolarHBondContact O-N 3.04Å; F574-S576 PolarHBondContact O-N 3.1Å |
| 577 | N | 80.1 | Confident | 87.4 | Confident | 78 Ų | 78 | 43.1 Ų | 43.1 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -77.8 | -33.9 | -174.9 | -72 | -25.5 | 0 | 0 | 0 | 113.6 | L573 F574 L575 R580 | L573-N577 VanDerWaalsContact O-CB 3.32Å; L573-N577 WeakPolarHBondContact O-CB 3.3Å; L573-N577 VanDerWaalsContact O-CG 3.28Å; L573-N577 PolarHBondContact O-N 2.92Å; L573-N577 PolarHBondContact O-ND2 3.48Å; F574-N577 PolarHBondContact O-N 3.4Å; L575-N577 VanDerWaalsContact C-N 3.31Å; L575-N577 PolarHBondContact O-N 3.11Å; N577-R580 VanDerWaalsContact O-CZ 3.24Å; N577-R580 PolarHBondContact O-NH1 3.37Å; N577-R580 PolarHBondContact O-NH2 3.17Å |
| 578 | W | 79.9 | Confident | 87.9 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 24% | 0.235 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -115.3 | -11.2 | -167.3 | -58.8 | 100.1 | 0 | 0 | 0 | 115 | R245 I246 F574 R580 | R245-W578 HydrophobicContact CG-CZ3 4.02Å; R245-W578 VanDerWaalsContact NH1-CZ3 3.27Å; I246-W578 HydrophobicContact CD1-CD2 4.43Å; I246-W578 HydrophobicContact CD1-CH2 4.43Å; I246-W578 HydrophobicContact CD1-CZ2 4.14Å; I246-W578 HydrophobicContact CG1-CD2 4.43Å; I246-W578 HydrophobicContact CG1-CE3 4.3Å; I246-W578 HydrophobicContact CG1-CH2 3.51Å; I246-W578 HydrophobicContact CG1-CZ2 3.61Å; I246-W578 HydrophobicContact CG1-CZ3 3.85Å; F574-W578 AromaticContact CD2-CD1 3.22Å; F574-W578 HydrophobicContact CD2-CG 4.04Å; F574-W578 AromaticContact CD2-NE1 3.8Å; F574-W578 HydrophobicContact CE2-CB 4.29Å; F574-W578 AromaticContact CE2-CD1 3.49Å; F574-W578 VanDerWaalsContact CE2-CD1 3.49Å; F574-W578 AromaticContact CE2-CG 3.9Å; F574-W578 HydrophobicContact CE2-CG 3.9Å; F574-W578 AromaticContact CG-CD1 3.89Å; F574-W578 HydrophobicContact CZ-CB 4.39Å; F574-W578 HydrophobicContact CZ-CG 4.45Å; F574-W578 VanDerWaalsContact O-CB 3.31Å; F574-W578 WeakPolarHBondContact O-CB 3.5Å; F574-W578 PolarHBondContact O-N 3.34Å; W578-R580 PolarHBondContact O-N 3.17Å |
| 579 | W | 85.6 | Confident | 88.2 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | trans | -66.5 | 118.2 | 175.2 | -169.8 | -93.2 | 0 | 0 | 0 | 111.1 | V463 L530 S533 K534 L575 L581 G583 P585 F634 | V463-W579 HydrophobicContact CG1-CB 4.16Å; V463-W579 HydrophobicContact CG1-CG 4.45Å; L530-W579 HydrophobicContact CD2-CE3 3.71Å; L530-W579 HydrophobicContact CD2-CZ3 4.35Å; S533-W579 VanDerWaalsContact O-CH2 3.29Å; S533-W579 WeakPolarHBondContact O-CH2 3.45Å; K534-W579 HydrophobicContact CB-CH2 4.12Å; L575-W579 HydrophobicContact CD2-CE3 3.83Å; L575-W579 HydrophobicContact CD2-CZ3 4.19Å; L575-W579 WeakPolarHBondContact O-CB 3.17Å; L575-W579 PolarHBondContact O-N 2.86Å; W579-L581 HydrophobicContact CH2-CD1 4.1Å; W579-L581 HydrophobicContact CZ2-CB 3.98Å; W579-L581 HydrophobicContact CZ2-CD1 4.26Å; W579-L581 HydrophobicContact CZ3-CD1 4.33Å; W579-L581 PolarHBondContact NE1-O 2.8Å; W579-L581 VanDerWaalsContact NE1-O 3.14Å; W579-G583 PolarHBondContact NE1-O 2.99Å; W579-P585 HydrophobicContact CB-CG 4.46Å; W579-P585 HydrophobicContact CD2-CB 3.68Å; W579-P585 HydrophobicContact CD2-CG 3.99Å; W579-P585 HydrophobicContact CE3-CB 3.66Å; W579-P585 HydrophobicContact CE3-CG 4.37Å; W579-P585 HydrophobicContact CG-CB 4.26Å; W579-P585 HydrophobicContact CG-CG 4.04Å; W579-P585 HydrophobicContact CH2-CB 3.97Å; W579-P585 HydrophobicContact CZ2-CB 4.03Å; W579-P585 HydrophobicContact CZ3-CB 3.81Å; W579-F634 HydrophobicContact CH2-CB 4.35Å; W579-F634 HydrophobicContact CZ2-CB 3.75Å; W579-F634 HydrophobicContact CZ2-CG 4.42Å | ||
| 580 | R | 78.2 | Confident | 88.3 | Confident | 65 Ų | 65 | 37.4 Ų | 37.4 | 25% | 0.245 | 18% | 0.176 | C | C | . | . | trans | -127.7 | -0.5 | 176.6 | -63.8 | -64.8 | 178.5 | -78.5 | -4.6 | 112.8 | F456 S457 N577 W578 | F456-R580 CarbonylContact C-O 3.56Å; F456-R580 VanDerWaalsContact CA-O 3.25Å; F456-R580 WeakPolarHBondContact CA-O 3.33Å; F456-R580 HydrophobicContact CD1-CB 3.6Å; F456-R580 HydrophobicContact CE1-CB 4.22Å; S457-R580 PolarHBondContact N-O 3.08Å; N577-R580 VanDerWaalsContact O-CZ 3.24Å; N577-R580 PolarHBondContact O-NH1 3.37Å; N577-R580 PolarHBondContact O-NH2 3.17Å; W578-R580 PolarHBondContact O-N 3.17Å | ||
| 581 | L | 81.3 | Confident | 88.6 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 7% | 0.068 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -70.2 | 155.2 | 177.7 | -57.9 | 175.4 | 0 | 0 | 0 | 110.8 | A238 L455 F456 K534 W579 F634 | A238-L581 HydrophobicContact CB-CD1 4.35Å; L455-L581 HydrophobicContact CB-CD2 4.32Å; L455-L581 CarbonylContact O-C 3.35Å; L455-L581 WeakPolarHBondContact O-CA 2.86Å; F456-L581 HydrophobicContact CE1-CD2 4.31Å; K534-L581 HydrophobicContact CD-CD1 4.48Å; W579-L581 HydrophobicContact CH2-CD1 4.1Å; W579-L581 HydrophobicContact CZ2-CB 3.98Å; W579-L581 HydrophobicContact CZ2-CD1 4.26Å; W579-L581 HydrophobicContact CZ3-CD1 4.33Å; W579-L581 PolarHBondContact NE1-O 2.8Å; W579-L581 VanDerWaalsContact NE1-O 3.14Å; L581-F634 HydrophobicContact CB-CD1 4.29Å; L581-F634 HydrophobicContact CB-CD2 4.5Å; L581-F634 HydrophobicContact CB-CE1 4.46Å; L581-F634 HydrophobicContact CB-CG 4.31Å; L581-F634 HydrophobicContact CD1-CD1 3.89Å; L581-F634 HydrophobicContact CD1-CE1 3.82Å |
| 582 | R | 79.9 | Confident | 88.7 | Confident | 202 Ų | 202 | 35.5 Ų | 35.5 | 76% | 0.762 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -63.2 | 140.4 | 174.8 | -173.5 | 178.9 | -179.9 | -174.3 | 0.6 | 110.7 | L455 F634 | L455-R582 PolarHBondContact O-N 3.45Å; L455-R582 VanDerWaalsContact O-N 3.14Å; R582-F634 HydrophobicContact CB-CD2 4.47Å; R582-F634 WeakPolarHBondContact O-CB 3.47Å; R582-F634 WeakPolarHBondContact O-CD2 3.34Å; R582-F634 VanDerWaalsContact O-CG 3.31Å; R582-F634 WeakPolarHBondContact O-CG 3.11Å |
| 583 | G | 87.9 | Confident | 88.4 | Confident | 38 Ų | 38 | 35.8 Ų | 35.8 | 39% | 0.392 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 81.3 | 173.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W579 | W579-G583 PolarHBondContact NE1-O 2.99Š|
| 584 | R | 92.4 | Very high | 88.2 | Confident | 120 Ų | 120 | 35.2 Ų | 35.2 | 45% | 0.453 | 16% | 0.16 | S | C | . | . | B | Isolated β-bridge | trans | -87.3 | 147.3 | -175.5 | -65.1 | -178.3 | -178.9 | -174.6 | 0.6 | 111.3 | Q466 S632 G633 F634 | Q466-R584 HydrophobicContact CG-CB 4.15Å; R584-S632 PolarHBondContact N-O 2.78Å; R584-G633 VanDerWaalsContact O-CA 3.26Å; R584-G633 WeakPolarHBondContact O-CA 3.4Å; R584-F634 PolarHBondContact O-N 3.41Å |
| 585 | P | 95.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | trans | -68.2 | 136.7 | 170.2 | 23.4 | -26.3 | 0 | 0 | 0 | 110.4 | V463 I465 Q466 S533 L575 W579 | V463-P585 HydrophobicContact CG1-CG 3.6Å; I465-P585 HydrophobicContact CB-CG 4.39Å; I465-P585 HydrophobicContact CG1-CG 3.96Å; I465-P585 HydrophobicContact CG2-CG 4.5Å; Q466-P585 WeakPolarHBondContact CB-O 3.38Å; Q466-P585 PolarHBondContact N-O 3.08Å; S533-P585 WeakPolarHBondContact O-CA 3.32Å; L575-P585 HydrophobicContact CD1-CB 4.41Å; L575-P585 HydrophobicContact CD2-CB 4.05Å; W579-P585 HydrophobicContact CB-CG 4.46Å; W579-P585 HydrophobicContact CD2-CB 3.68Å; W579-P585 HydrophobicContact CD2-CG 3.99Å; W579-P585 HydrophobicContact CE3-CB 3.66Å; W579-P585 HydrophobicContact CE3-CG 4.37Å; W579-P585 HydrophobicContact CG-CB 4.26Å; W579-P585 HydrophobicContact CG-CG 4.04Å; W579-P585 HydrophobicContact CH2-CB 3.97Å; W579-P585 HydrophobicContact CZ2-CB 4.03Å; W579-P585 HydrophobicContact CZ3-CB 3.81Å | ||
| 586 | T | 97.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 104 | 175.7 | -49.3 | 0 | 0 | 0 | 0 | 110.5 | Q466 V468 S533 F535 L544 F629 | Q466-T586 HydrophobicContact CB-CG2 4.24Å; Q466-T586 CarbonylContact O-C 3.57Å; Q466-T586 VanDerWaalsContact O-CA 3.26Å; Q466-T586 WeakPolarHBondContact O-CA 3.2Å; Q466-T586 PolarHBondContact OE1-OG1 3.09Å; V468-T586 HydrophobicContact CG2-CG2 3.91Å; S533-T586 CarbonylContact C-O 3.52Å; S533-T586 WeakPolarHBondContact CA-O 3.43Å; S533-T586 PolarHBondContact O-N 2.89Å; F535-T586 HydrophobicContact CE2-CG2 3.78Å; F535-T586 VanDerWaalsContact CE2-OG1 3.32Å; F535-T586 WeakPolarHBondContact CE2-OG1 3.43Å; F535-T586 HydrophobicContact CZ-CG2 3.8Å; L544-T586 HydrophobicContact CD1-CG2 4.22Å; L544-T586 HydrophobicContact CD2-CG2 4.4Å; T586-F629 HydrophobicContact CG2-CB 4.33Å; T586-F629 HydrophobicContact CG2-CD2 4.45Å |
| 587 | F | 96.8 | Very high | 88 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.3 | 178.4 | -173.1 | -77.8 | 0 | 0 | 0 | 111.2 | I465 Q466 V467 V468 P547 F550 D571 F572 L575 F589 | I465-F587 HydrophobicContact CG2-CB 4.08Å; Q466-F587 PolarHBondContact O-N 2.98Å; V467-F587 WeakPolarHBondContact CA-O 3.35Å; V467-F587 HydrophobicContact CG1-CD1 4.38Å; V467-F587 HydrophobicContact CG2-CB 4.32Å; V468-F587 PolarHBondContact N-O 3.3Å; P547-F587 HydrophobicContact CG-CD2 4.21Å; P547-F587 HydrophobicContact CG-CE1 4.18Å; P547-F587 HydrophobicContact CG-CE2 3.6Å; P547-F587 HydrophobicContact CG-CZ 3.59Å; F550-F587 HydrophobicContact CE2-CE1 4.13Å; F550-F587 HydrophobicContact CE2-CZ 4.18Å; D571-F587 HydrophobicContact CB-CE2 3.84Å; F572-F587 HydrophobicContact CD1-CD2 4.09Å; F572-F587 HydrophobicContact CD1-CE2 4.35Å; F572-F587 HydrophobicContact CD1-CG 4.44Å; F572-F587 HydrophobicContact CE1-CB 4.27Å; F572-F587 AromaticContact CE1-CD1 3.88Å; F572-F587 HydrophobicContact CE1-CD1 3.88Å; F572-F587 AromaticContact CE1-CD2 3.7Å; F572-F587 HydrophobicContact CE1-CD2 3.7Å; F572-F587 HydrophobicContact CE1-CE1 4.1Å; F572-F587 AromaticContact CE1-CE2 3.93Å; F572-F587 HydrophobicContact CE1-CE2 3.93Å; F572-F587 AromaticContact CE1-CG 3.69Å; F572-F587 HydrophobicContact CE1-CG 3.69Å; F572-F587 HydrophobicContact CE1-CZ 4.12Å; F572-F587 HydrophobicContact CZ-CD1 4.48Å; L575-F587 HydrophobicContact CD1-CD2 4.05Å; F587-F589 HydrophobicContact CD1-CB 4.11Å; F587-F589 HydrophobicContact CE1-CB 3.82Å; F587-F589 AromaticContact CE1-CD2 3.68Å; F587-F589 HydrophobicContact CE1-CD2 3.68Å; F587-F589 HydrophobicContact CE1-CG 4.13Å; F587-F589 HydrophobicContact CZ-CD2 4.44Å |
| 588 | C | 96.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 104.8 | 174.7 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | L544 P547 | L544-C588 HydrophobicContact CD2-CB 3.88Å; L544-C588 HydrophobicContact CG-CB 3.97Å; P547-C588 WeakPolarHBondContact CD-O 3.17Å |
| 589 | F | 95.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 110.4 | 176.7 | -159.6 | -67.6 | 0 | 0 | 0 | 109.6 | V467 V468 L469 I470 F550 V564 A568 F587 M591 L604 F607 L608 | V467-F589 HydrophobicContact CG1-CB 4.42Å; V468-F589 PolarHBondContact O-N 3.32Å; L469-F589 HydrophobicContact CD2-CB 3.73Å; L469-F589 HydrophobicContact CD2-CG 4.21Å; I470-F589 PolarHBondContact N-O 2.96Å; F550-F589 HydrophobicContact CE1-CD1 4.14Å; F550-F589 AromaticContact CE1-CE1 3.84Å; F550-F589 HydrophobicContact CE1-CE1 3.84Å; F550-F589 HydrophobicContact CE1-CZ 4.08Å; F550-F589 HydrophobicContact CE2-CG 4.38Å; F550-F589 AromaticContact CZ-CD1 3.76Å; F550-F589 HydrophobicContact CZ-CD1 3.76Å; F550-F589 AromaticContact CZ-CD2 3.89Å; F550-F589 HydrophobicContact CZ-CD2 3.89Å; F550-F589 AromaticContact CZ-CE1 3.76Å; F550-F589 HydrophobicContact CZ-CE1 3.76Å; F550-F589 AromaticContact CZ-CE2 3.89Å; F550-F589 HydrophobicContact CZ-CE2 3.89Å; F550-F589 AromaticContact CZ-CG 3.82Å; F550-F589 HydrophobicContact CZ-CG 3.82Å; F550-F589 AromaticContact CZ-CZ 3.82Å; F550-F589 HydrophobicContact CZ-CZ 3.82Å; V564-F589 HydrophobicContact CG1-CZ 4.19Å; A568-F589 HydrophobicContact CB-CD2 4.49Å; A568-F589 HydrophobicContact CB-CE2 3.8Å; F587-F589 HydrophobicContact CD1-CB 4.11Å; F587-F589 HydrophobicContact CE1-CB 3.82Å; F587-F589 AromaticContact CE1-CD2 3.68Å; F587-F589 HydrophobicContact CE1-CD2 3.68Å; F587-F589 HydrophobicContact CE1-CG 4.13Å; F587-F589 HydrophobicContact CZ-CD2 4.44Å; F589-M591 HydrophobicContact CD1-CG 4.17Å; F589-M591 HydrophobicContact CE1-CG 4.41Å; F589-L604 HydrophobicContact CE1-CD1 4.44Å; F589-L604 HydrophobicContact CZ-CD1 4.05Å; F589-F607 HydrophobicContact CE2-CE1 4.01Å; F589-L608 HydrophobicContact CE1-CD2 4.46Å |
| 590 | L | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.6 | -179.1 | 178.2 | 62.6 | 0 | 0 | 0 | 111.2 | I470 E472 Y546 F550 R592 L654 | I470-L590 HydrophobicContact CB-CD1 4.18Å; I470-L590 HydrophobicContact CG2-CD1 3.88Å; I470-L590 CarbonylContact O-C 3.59Å; E472-L590 HydrophobicContact CB-CD1 4.43Å; Y546-L590 HydrophobicContact CD1-CD2 4Å; Y546-L590 HydrophobicContact CD2-CD2 4.34Å; Y546-L590 HydrophobicContact CE1-CD2 3.91Å; Y546-L590 HydrophobicContact CE2-CD2 4.26Å; Y546-L590 HydrophobicContact CG-CB 4.42Å; Y546-L590 HydrophobicContact CG-CD2 4.2Å; F550-L590 HydrophobicContact CB-CB 3.99Å; F550-L590 HydrophobicContact CB-CD2 4.27Å; F550-L590 HydrophobicContact CD1-CB 4.45Å; F550-L590 VanDerWaalsContact CD1-O 3.28Å; F550-L590 WeakPolarHBondContact CD1-O 3.49Å; F550-L590 HydrophobicContact CD2-CB 4.25Å; F550-L590 WeakPolarHBondContact CE1-O 3.16Å; F550-L590 HydrophobicContact CG-CB 3.99Å; L590-R592 HydrophobicContact CG-CG 4.48Å; L590-L654 HydrophobicContact CD1-CD2 3.62Å; L590-L654 HydrophobicContact CD2-CD2 4.12Å |
| 591 | M | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.6 | 175.5 | -59.7 | -154.4 | 63 | 0 | 0 | 110.9 | I470 E472 L476 L480 T487 F589 F601 L604 L608 | I470-M591 PolarHBondContact O-N 3.29Å; E472-M591 PolarHBondContact N-O 3.03Å; L476-M591 VanDerWaalsContact CD2-C 3.49Å; L476-M591 HydrophobicContact CD2-CB 3.85Å; L476-M591 VanDerWaalsContact CD2-O 3.27Å; L476-M591 WeakPolarHBondContact CD2-O 3.38Å; L480-M591 HydrophobicContact CD1-CB 4.29Å; L480-M591 HydrophobicContact CD1-CE 3.72Å; L480-M591 HydrophobicContact CD1-CG 4.36Å; L480-M591 HydrophobicContact CD1-SD 3.29Å; L480-M591 WeakPolarHBondContact CD1-SD 3.29Å; L480-M591 HydrophobicContact CD2-CE 3.53Å; L480-M591 HydrophobicContact CD2-SD 3.91Å; L480-M591 HydrophobicContact CG-CE 4.25Å; L480-M591 HydrophobicContact CG-SD 4.24Å; T487-M591 HydrophobicContact CG2-SD 4.32Å; F589-M591 HydrophobicContact CD1-CG 4.17Å; F589-M591 HydrophobicContact CE1-CG 4.41Å; M591-F601 HydrophobicContact CE-CE2 4.48Å; M591-L604 HydrophobicContact CE-CD2 3.95Å; M591-L608 HydrophobicContact CE-CD1 3.63Å; M591-L608 HydrophobicContact SD-CD1 3.61Å |
| 592 | R | 88.1 | Confident | 89.2 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | trans | -113 | 153.7 | -177.9 | -61 | -174.4 | 169.5 | -90.2 | 7.5 | 112.3 | E472 F550 S552 L590 D594 M595 | E472-R592 VanDerWaalsContact OE1-CA 3.32Å; E472-R592 WeakPolarHBondContact OE1-CA 3.23Å; E472-R592 IonicContact OE2-CZ 3.41Å; E472-R592 IonicContact OE2-NH1 3.39Å; E472-R592 PolarHBondContact OE2-NH1 3.31Å; F550-R592 PolarHBondContact O-NE 2.83Å; F550-R592 VanDerWaalsContact O-NE 3.11Å; F550-R592 PolarHBondContact O-NH2 2.74Å; S552-R592 PolarHBondContact OG-NH1 3.5Å; S552-R592 PolarHBondContact OG-NH2 3.23Å; L590-R592 HydrophobicContact CG-CG 4.48Å; R592-D594 PolarHBondContact O-N 3.04Å; R592-M595 HydrophobicContact CB-CE 4.35Å; R592-M595 HydrophobicContact CB-CG 4.22Å; R592-M595 HydrophobicContact CB-SD 4.27Å; R592-M595 HydrophobicContact CG-CE 4.32Å; R592-M595 PolarHBondContact N-SD 3.44Å; R592-M595 WeakPolarHBondContact O-CB 3.38Å; R592-M595 PolarHBondContact O-N 3.05Å; R592-M595 VanDerWaalsContact O-N 3.08Å | ||
| 593 | E | 86.3 | Confident | 89.8 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -23.9 | -177.1 | -73.4 | -75 | -139 | 0 | 0 | 113.7 | E472 S473 R475 M595 V596 K597 L657 T659 | E472-E593 HydrophobicContact CG-CG 4.19Å; E472-E593 WeakPolarHBondContact OE1-CB 3.47Å; E472-E593 WeakPolarHBondContact OE1-CG 3.17Å; E472-E593 PolarHBondContact OE1-N 3.32Å; S473-E593 VanDerWaalsContact OG-CD 3.26Å; S473-E593 PolarHBondContact OG-OE1 2.75Å; R475-E593 IonicContact CZ-OE1 3.29Å; R475-E593 VanDerWaalsContact CZ-OE1 3.24Å; R475-E593 IonicContact CZ-OE2 3.43Å; R475-E593 VanDerWaalsContact CZ-OE2 3.28Å; R475-E593 IonicContact NE-OE1 3.04Å; R475-E593 PolarHBondContact NE-OE1 2.83Å; R475-E593 IonicContact NE-OE2 3.96Å; R475-E593 IonicContact NH2-OE1 2.88Å; R475-E593 PolarHBondContact NH2-OE1 3.38Å; R475-E593 IonicContact NH2-OE2 2.82Å; R475-E593 PolarHBondContact NH2-OE2 3.02Å; E593-M595 VanDerWaalsContact C-N 3.35Å; E593-V596 WeakPolarHBondContact O-CG2 3.43Å; E593-K597 WeakPolarHBondContact O-CE 3.35Å; E593-L657 HydrophobicContact CG-CD2 3.93Å; E593-T659 HydrophobicContact CG-CG2 4.21Å; E593-T659 WeakPolarHBondContact OE1-CG2 3.33Å |
| 594 | D | 84.3 | Confident | 90 | Very high | 37 Ų | 37 | 27.3 Ų | 27.3 | 20% | 0.198 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -23 | 175 | -75.4 | -11 | 0 | 0 | 0 | 111.9 | R592 V596 K597 V598 R764 | R592-D594 PolarHBondContact O-N 3.04Å; D594-V596 VanDerWaalsContact C-N 3.26Å; D594-V596 PolarHBondContact O-N 3.16Å; D594-K597 PolarHBondContact O-N 3.38Å; D594-K597 IonicContact OD1-NZ 2.67Å; D594-K597 PolarHBondContact OD1-NZ 3.12Å; D594-V598 WeakPolarHBondContact O-CG2 3.48Å; D594-V598 PolarHBondContact O-N 3.23Å; D594-R764 IonicContact OD1-NH1 3.59Å; D594-R764 PolarHBondContact OD1-NH1 3.21Å; D594-R764 WeakPolarHBondContact OD2-CD 3.38Å; D594-R764 IonicContact OD2-CZ 3.56Å; D594-R764 IonicContact OD2-NH1 2.66Å; D594-R764 PolarHBondContact OD2-NH1 2.99Å |
| 595 | M | 87.3 | Confident | 90 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.6 | 178.6 | -63 | 173.8 | 172.3 | 0 | 0 | 113.2 | F550 L558 M561 R592 E593 K597 F601 L604 | F550-M595 HydrophobicContact CD1-CE 3.91Å; F550-M595 HydrophobicContact CE1-CE 4.06Å; L558-M595 HydrophobicContact CD2-CE 4.12Å; M561-M595 HydrophobicContact CE-CB 4.32Å; M561-M595 HydrophobicContact CE-CG 4.09Å; M561-M595 HydrophobicContact SD-CB 4.05Å; M561-M595 HydrophobicContact SD-CG 4.3Å; R592-M595 HydrophobicContact CB-CE 4.35Å; R592-M595 HydrophobicContact CB-CG 4.22Å; R592-M595 HydrophobicContact CB-SD 4.27Å; R592-M595 HydrophobicContact CG-CE 4.32Å; R592-M595 PolarHBondContact N-SD 3.44Å; R592-M595 WeakPolarHBondContact O-CB 3.38Å; R592-M595 PolarHBondContact O-N 3.05Å; R592-M595 VanDerWaalsContact O-N 3.08Å; E593-M595 VanDerWaalsContact C-N 3.35Å; M595-K597 VanDerWaalsContact C-N 3.34Å; M595-F601 WeakPolarHBondContact O-CD2 3.42Å; M595-L604 HydrophobicContact CB-CD2 4.34Å; M595-L604 HydrophobicContact SD-CD2 4.42Å |
| 596 | V | 87.2 | Confident | 89.8 | Confident | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.055 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.3 | 174.5 | -76.9 | 0 | 0 | 0 | 0 | 113.3 | L476 V479 E593 D594 F601 | L476-V596 HydrophobicContact CD1-CG1 3.54Å; L476-V596 HydrophobicContact CD1-CG2 4.1Å; V479-V596 HydrophobicContact CG1-CG1 4.3Å; E593-V596 WeakPolarHBondContact O-CG2 3.43Å; D594-V596 VanDerWaalsContact C-N 3.26Å; D594-V596 PolarHBondContact O-N 3.16Å; V596-F601 HydrophobicContact CB-CD2 4.43Å; V596-F601 HydrophobicContact CB-CE2 4.41Å; V596-F601 HydrophobicContact CG1-CD1 4.4Å; V596-F601 HydrophobicContact CG1-CD2 3.88Å; V596-F601 HydrophobicContact CG1-CE1 3.98Å; V596-F601 HydrophobicContact CG1-CE2 3.42Å; V596-F601 VanDerWaalsContact CG1-CE2 3.42Å; V596-F601 HydrophobicContact CG1-CG 4.36Å; V596-F601 HydrophobicContact CG1-CZ 3.49Å; V596-F601 VanDerWaalsContact CG1-CZ 3.49Å |
| 597 | K | 83.9 | Confident | 89.7 | Confident | 101 Ų | 101 | 30.6 Ų | 30.6 | 44% | 0.439 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -19.8 | 180 | -57.8 | 174.1 | -165.5 | 158.4 | 0 | 112.6 | E593 D594 M595 I768 | E593-K597 WeakPolarHBondContact O-CE 3.35Å; D594-K597 PolarHBondContact O-N 3.38Å; D594-K597 IonicContact OD1-NZ 2.67Å; D594-K597 PolarHBondContact OD1-NZ 3.12Å; M595-K597 VanDerWaalsContact C-N 3.34Å; K597-I768 HydrophobicContact CB-CG2 4.01Å; K597-I768 HydrophobicContact CD-CD1 4.35Å |
| 598 | V | 84.7 | Confident | 89.6 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -79.8 | 137.2 | -175.6 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | H559 M561 D594 G600 F601 I768 | H559-V598 WeakPolarHBondContact O-CG1 2.97Å; M561-V598 HydrophobicContact CE-CB 4.43Å; M561-V598 HydrophobicContact CE-CG1 4.19Å; M561-V598 HydrophobicContact CG-CB 4.48Å; M561-V598 HydrophobicContact CG-CG1 3.94Å; D594-V598 WeakPolarHBondContact O-CG2 3.48Å; D594-V598 PolarHBondContact O-N 3.23Å; V598-G600 PolarHBondContact O-N 3.46Å; V598-F601 PolarHBondContact O-N 3.22Å; V598-I768 HydrophobicContact CG2-CG1 4.41Å |
| 599 | P | 81 | Confident | 89.4 | Confident | 67 Ų | 67 | 33.6 Ų | 33.6 | 44% | 0.435 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 127.1 | 168.7 | -26.2 | 35.8 | 0 | 0 | 0 | 111.9 | I768 Q770 | P599-I768 VanDerWaalsContact CD-O 3.29Å; P599-I768 WeakPolarHBondContact CD-O 3.21Å; P599-Q770 HydrophobicContact CB-CG 4.21Å; P599-Q770 HydrophobicContact CG-CG 3.72Å |
| 600 | G | 84.8 | Confident | 89.2 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 16% | 0.155 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.4 | 3.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | V598 D602 K603 L604 | V598-G600 PolarHBondContact O-N 3.46Å; G600-D602 WeakPolarHBondContact CA-OD1 3.08Å; G600-D602 PolarHBondContact O-N 3.05Å; G600-K603 VanDerWaalsContact O-CB 3.29Å; G600-K603 WeakPolarHBondContact O-CB 3.34Å; G600-K603 PolarHBondContact O-N 3.36Å; G600-L604 PolarHBondContact O-N 3.12Å |
| 601 | F | 89.3 | Confident | 89.1 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 10% | 0.096 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -52.9 | -33.6 | 171 | 176.3 | -114.8 | 0 | 0 | 0 | 112.9 | L480 Y483 M591 M595 V596 V598 K603 L604 L605 | L480-F601 HydrophobicContact CD2-CE2 4.2Å; L480-F601 HydrophobicContact CD2-CZ 3.94Å; Y483-F601 HydrophobicContact CE2-CE1 4.23Å; M591-F601 HydrophobicContact CE-CE2 4.48Å; M595-F601 WeakPolarHBondContact O-CD2 3.42Å; V596-F601 HydrophobicContact CB-CD2 4.43Å; V596-F601 HydrophobicContact CB-CE2 4.41Å; V596-F601 HydrophobicContact CG1-CD1 4.4Å; V596-F601 HydrophobicContact CG1-CD2 3.88Å; V596-F601 HydrophobicContact CG1-CE1 3.98Å; V596-F601 HydrophobicContact CG1-CE2 3.42Å; V596-F601 VanDerWaalsContact CG1-CE2 3.42Å; V596-F601 HydrophobicContact CG1-CG 4.36Å; V596-F601 HydrophobicContact CG1-CZ 3.49Å; V596-F601 VanDerWaalsContact CG1-CZ 3.49Å; V598-F601 PolarHBondContact O-N 3.22Å; F601-K603 VanDerWaalsContact C-N 3.29Å; F601-K603 PolarHBondContact O-N 2.91Å; F601-L604 HydrophobicContact CD2-CD2 4.33Å; F601-L604 WeakPolarHBondContact O-CB 3.5Å; F601-L604 PolarHBondContact O-N 3.28Å; F601-L605 HydrophobicContact CE1-CD1 3.89Å; F601-L605 HydrophobicContact CE2-CD1 4.46Å; F601-L605 HydrophobicContact CZ-CD1 3.65Å; F601-L605 WeakPolarHBondContact O-CB 3.24Å; F601-L605 PolarHBondContact O-N 3.01Å |
| 602 | D | 89.5 | Confident | 89 | Confident | 79 Ų | 79 | 41 Ų | 41 | 42% | 0.422 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -33.3 | 175.1 | 68.9 | -62.7 | 0 | 0 | 0 | 112.9 | G600 R606 | G600-D602 WeakPolarHBondContact CA-OD1 3.08Å; G600-D602 PolarHBondContact O-N 3.05Å; D602-R606 WeakPolarHBondContact O-CG 3.46Å; D602-R606 PolarHBondContact O-N 3.44Å; D602-R606 VanDerWaalsContact O-N 3.07Å; D602-R606 PolarHBondContact O-NE 3.4Å; D602-R606 IonicContact OD2-CZ 3.37Å; D602-R606 IonicContact OD2-NE 3.73Å; D602-R606 IonicContact OD2-NH2 4Å; D602-R606 PolarHBondContact OD2-NH2 3.35Å |
| 603 | K | 91.8 | Very high | 89.1 | Confident | 74 Ų | 74 | 45.8 Ų | 45.8 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.6 | -43.6 | 173.4 | -58.5 | 179.5 | -179.9 | 179.8 | 0 | 110.5 | I565 G600 F601 L605 R606 F607 | I565-K603 HydrophobicContact CD1-CB 3.98Å; G600-K603 VanDerWaalsContact O-CB 3.29Å; G600-K603 WeakPolarHBondContact O-CB 3.34Å; G600-K603 PolarHBondContact O-N 3.36Å; F601-K603 VanDerWaalsContact C-N 3.29Å; F601-K603 PolarHBondContact O-N 2.91Å; K603-L605 VanDerWaalsContact C-N 3.31Å; K603-L605 PolarHBondContact O-N 3.31Å; K603-R606 PolarHBondContact O-N 3.09Å; K603-F607 PolarHBondContact O-N 3.37Å |
| 604 | L | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.5 | 178.8 | 62.2 | 0 | 0 | 0 | 110.4 | M561 I565 F589 M591 M595 G600 F601 R606 F607 L608 | M561-L604 HydrophobicContact SD-CB 4.39Å; M561-L604 HydrophobicContact SD-CD2 3.86Å; I565-L604 HydrophobicContact CD1-CB 4.44Å; I565-L604 HydrophobicContact CG1-CD1 4.1Å; F589-L604 HydrophobicContact CE1-CD1 4.44Å; F589-L604 HydrophobicContact CZ-CD1 4.05Å; M591-L604 HydrophobicContact CE-CD2 3.95Å; M595-L604 HydrophobicContact CB-CD2 4.34Å; M595-L604 HydrophobicContact SD-CD2 4.42Å; G600-L604 PolarHBondContact O-N 3.12Å; F601-L604 HydrophobicContact CD2-CD2 4.33Å; F601-L604 WeakPolarHBondContact O-CB 3.5Å; F601-L604 PolarHBondContact O-N 3.28Å; L604-R606 PolarHBondContact O-N 3.14Å; L604-F607 HydrophobicContact CD1-CD1 4.28Å; L604-F607 WeakPolarHBondContact O-CB 3.44Å; L604-F607 PolarHBondContact O-N 3.46Å; L604-F607 VanDerWaalsContact O-N 3.17Å; L604-L608 HydrophobicContact CD1-CD1 4.42Å; L604-L608 HydrophobicContact CD1-CG 4.25Å; L604-L608 HydrophobicContact CG-CD1 4.1Å; L604-L608 HydrophobicContact CG-CG 4.36Å; L604-L608 VanDerWaalsContact O-CG 3.29Å; L604-L608 WeakPolarHBondContact O-CG 3.42Å; L604-L608 PolarHBondContact O-N 3.28Å |
| 605 | L | 92.6 | Very high | 89.6 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 177.1 | -156.5 | 96.5 | 0 | 0 | 0 | 111.9 | Y483 I485 F601 K603 F607 L608 V609 | Y483-L605 HydrophobicContact CD1-CD1 4.06Å; Y483-L605 HydrophobicContact CD1-CD2 3.38Å; Y483-L605 HydrophobicContact CD1-CG 4.31Å; Y483-L605 HydrophobicContact CD2-CD1 3.65Å; Y483-L605 HydrophobicContact CE1-CD2 4.03Å; Y483-L605 HydrophobicContact CE2-CD1 4.29Å; Y483-L605 HydrophobicContact CG-CD1 3.51Å; Y483-L605 HydrophobicContact CG-CD2 3.67Å; Y483-L605 HydrophobicContact CG-CG 4.13Å; I485-L605 HydrophobicContact CD1-CD1 3.61Å; I485-L605 HydrophobicContact CD1-CG 3.78Å; F601-L605 HydrophobicContact CE1-CD1 3.89Å; F601-L605 HydrophobicContact CE2-CD1 4.46Å; F601-L605 HydrophobicContact CZ-CD1 3.65Å; F601-L605 WeakPolarHBondContact O-CB 3.24Å; F601-L605 PolarHBondContact O-N 3.01Å; K603-L605 VanDerWaalsContact C-N 3.31Å; K603-L605 PolarHBondContact O-N 3.31Å; L605-F607 VanDerWaalsContact C-N 3.32Å; L605-F607 PolarHBondContact O-N 3.09Å; L605-L608 PolarHBondContact O-N 2.85Å; L605-V609 WeakPolarHBondContact O-CG2 3.48Å; L605-V609 PolarHBondContact O-N 2.73Å |
| 606 | R | 93.2 | Very high | 89.7 | Confident | 152 Ų | 152 | 48.5 Ų | 48.5 | 57% | 0.574 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.1 | -40.9 | 175.9 | -76.5 | -178.3 | -85.8 | 148.6 | -15.4 | 112 | D602 K603 L604 V609 S610 | D602-R606 WeakPolarHBondContact O-CG 3.46Å; D602-R606 PolarHBondContact O-N 3.44Å; D602-R606 VanDerWaalsContact O-N 3.07Å; D602-R606 PolarHBondContact O-NE 3.4Å; D602-R606 IonicContact OD2-CZ 3.37Å; D602-R606 IonicContact OD2-NE 3.73Å; D602-R606 IonicContact OD2-NH2 4Å; D602-R606 PolarHBondContact OD2-NH2 3.35Å; K603-R606 PolarHBondContact O-N 3.09Å; L604-R606 PolarHBondContact O-N 3.14Å; R606-V609 PolarHBondContact O-N 2.83Å; R606-S610 WeakPolarHBondContact O-CB 3.25Å; R606-S610 PolarHBondContact O-N 3.41Å |
| 607 | F | 94.6 | Very high | 89.3 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 175 | 172.6 | -112.9 | 0 | 0 | 0 | 112.2 | I565 A568 K569 F572 F589 K603 L604 L605 V609 S610 M611 V616 | I565-F607 HydrophobicContact CB-CD1 4.47Å; I565-F607 HydrophobicContact CB-CG 4.43Å; I565-F607 HydrophobicContact CD1-CB 4.08Å; I565-F607 HydrophobicContact CG1-CB 3.99Å; I565-F607 HydrophobicContact CG1-CD1 3.96Å; I565-F607 HydrophobicContact CG1-CG 4.02Å; I565-F607 HydrophobicContact CG2-CB 4.13Å; I565-F607 HydrophobicContact CG2-CD1 4.2Å; I565-F607 HydrophobicContact CG2-CD2 3.74Å; I565-F607 HydrophobicContact CG2-CE2 4.15Å; I565-F607 HydrophobicContact CG2-CG 3.75Å; A568-F607 HydrophobicContact CB-CE1 4.19Å; A568-F607 HydrophobicContact CB-CZ 4.16Å; K569-F607 HydrophobicContact CG-CE2 3.83Å; K569-F607 HydrophobicContact CG-CZ 4.3Å; F572-F607 AromaticContact CE2-CZ 3.95Å; F572-F607 HydrophobicContact CE2-CZ 3.95Å; F589-F607 HydrophobicContact CE2-CE1 4.01Å; K603-F607 PolarHBondContact O-N 3.37Å; L604-F607 HydrophobicContact CD1-CD1 4.28Å; L604-F607 WeakPolarHBondContact O-CB 3.44Å; L604-F607 PolarHBondContact O-N 3.46Å; L604-F607 VanDerWaalsContact O-N 3.17Å; L605-F607 VanDerWaalsContact C-N 3.32Å; L605-F607 PolarHBondContact O-N 3.09Å; F607-V609 VanDerWaalsContact C-N 3.3Å; F607-V609 PolarHBondContact O-N 2.87Å; F607-S610 WeakPolarHBondContact O-CB 3.26Å; F607-S610 PolarHBondContact O-N 3.38Å; F607-S610 VanDerWaalsContact O-N 3.08Å; F607-S610 PolarHBondContact O-OG 2.82Å; F607-M611 HydrophobicContact CD1-CE 4.13Å; F607-M611 HydrophobicContact CE1-CE 3.77Å; F607-M611 HydrophobicContact CE1-SD 4.29Å; F607-M611 HydrophobicContact CZ-CE 4.27Å; F607-M611 HydrophobicContact CZ-CG 4.44Å; F607-M611 HydrophobicContact CZ-SD 4.2Å; F607-M611 PolarHBondContact O-N 3.34Å; F607-M611 VanDerWaalsContact O-N 3.15Å; F607-V616 HydrophobicContact CE2-CG1 3.92Å |
| 608 | L | 93.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 177.9 | -66.6 | 173 | 0 | 0 | 0 | 112.2 | L469 I485 F589 M591 L604 L605 M611 | L469-L608 HydrophobicContact CD2-CD2 4.15Å; I485-L608 HydrophobicContact CD1-CB 3.65Å; I485-L608 HydrophobicContact CD1-CD1 3.76Å; I485-L608 HydrophobicContact CD1-CG 4.36Å; I485-L608 HydrophobicContact CG1-CB 4.32Å; I485-L608 HydrophobicContact CG2-CB 4.49Å; I485-L608 HydrophobicContact CG2-CD1 4.32Å; F589-L608 HydrophobicContact CE1-CD2 4.46Å; M591-L608 HydrophobicContact CE-CD1 3.63Å; M591-L608 HydrophobicContact SD-CD1 3.61Å; L604-L608 HydrophobicContact CD1-CD1 4.42Å; L604-L608 HydrophobicContact CD1-CG 4.25Å; L604-L608 HydrophobicContact CG-CD1 4.1Å; L604-L608 HydrophobicContact CG-CG 4.36Å; L604-L608 VanDerWaalsContact O-CG 3.29Å; L604-L608 WeakPolarHBondContact O-CG 3.42Å; L604-L608 PolarHBondContact O-N 3.28Å; L605-L608 PolarHBondContact O-N 2.85Å; L608-M611 HydrophobicContact CB-CE 4.43Å; L608-M611 HydrophobicContact CD2-CE 3.32Å; L608-M611 HydrophobicContact CG-CE 4.34Å |
| 609 | V | 91.8 | Very high | 89.4 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 38% | 0.376 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 173.3 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | I485 L605 R606 F607 M611 K612 | I485-V609 HydrophobicContact CD1-CG2 4.47Å; I485-V609 HydrophobicContact CG1-CG2 4.31Å; L605-V609 WeakPolarHBondContact O-CG2 3.48Å; L605-V609 PolarHBondContact O-N 2.73Å; R606-V609 PolarHBondContact O-N 2.83Å; F607-V609 VanDerWaalsContact C-N 3.3Å; F607-V609 PolarHBondContact O-N 2.87Å; V609-M611 PolarHBondContact O-N 3.25Å; V609-K612 VanDerWaalsContact O-CB 3.29Å; V609-K612 WeakPolarHBondContact O-CB 3.49Å; V609-K612 PolarHBondContact O-N 3.47Å |
| 610 | S | 90.8 | Very high | 90.1 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -30.4 | -179.9 | 78 | 0 | 0 | 0 | 0 | 113.2 | R606 F607 K612 N613 | R606-S610 WeakPolarHBondContact O-CB 3.25Å; R606-S610 PolarHBondContact O-N 3.41Å; F607-S610 WeakPolarHBondContact O-CB 3.26Å; F607-S610 PolarHBondContact O-N 3.38Å; F607-S610 VanDerWaalsContact O-N 3.08Å; F607-S610 PolarHBondContact O-OG 2.82Å; S610-K612 PolarHBondContact O-N 3.37Å; S610-K612 VanDerWaalsContact O-N 3.15Å; S610-N613 VanDerWaalsContact O-CB 3.31Å; S610-N613 WeakPolarHBondContact O-CB 3.41Å; S610-N613 PolarHBondContact O-N 3.31Å |
| 611 | M | 92.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -62 | -20.9 | 175.5 | -74.4 | -166.1 | -84.8 | 0 | 0 | 113.6 | V467 L469 F572 F607 L608 V609 N613 G614 V616 V621 L623 | V467-M611 HydrophobicContact CG1-SD 4.22Å; L469-M611 HydrophobicContact CD2-CE 4.29Å; F572-M611 HydrophobicContact CE2-SD 3.69Å; F572-M611 HydrophobicContact CZ-SD 3.83Å; F607-M611 HydrophobicContact CD1-CE 4.13Å; F607-M611 HydrophobicContact CE1-CE 3.77Å; F607-M611 HydrophobicContact CE1-SD 4.29Å; F607-M611 HydrophobicContact CZ-CE 4.27Å; F607-M611 HydrophobicContact CZ-CG 4.44Å; F607-M611 HydrophobicContact CZ-SD 4.2Å; F607-M611 PolarHBondContact O-N 3.34Å; F607-M611 VanDerWaalsContact O-N 3.15Å; L608-M611 HydrophobicContact CB-CE 4.43Å; L608-M611 HydrophobicContact CD2-CE 3.32Å; L608-M611 HydrophobicContact CG-CE 4.34Å; V609-M611 PolarHBondContact O-N 3.25Å; M611-N613 PolarHBondContact O-N 3.28Å; M611-G614 PolarHBondContact O-N 2.96Å; M611-V616 HydrophobicContact CG-CG2 3.85Å; M611-V621 HydrophobicContact CB-CG2 4.47Å; M611-L623 HydrophobicContact CB-CD1 4.11Å; M611-L623 HydrophobicContact CB-CD2 4.03Å; M611-L623 HydrophobicContact CB-CG 4.16Å; M611-L623 HydrophobicContact SD-CD2 4.29Å |
| 612 | K | 89.5 | Confident | 90.9 | Very high | 115 Ų | 115 | 57.5 Ų | 57.5 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -67.9 | -20.2 | 174.5 | -67.1 | 178.8 | 176.8 | -177.7 | 0 | 113 | G484 V609 S610 G614 L623 | G484-K612 PolarHBondContact O-NZ 2.88Å; V609-K612 VanDerWaalsContact O-CB 3.29Å; V609-K612 WeakPolarHBondContact O-CB 3.49Å; V609-K612 PolarHBondContact O-N 3.47Å; S610-K612 PolarHBondContact O-N 3.37Å; S610-K612 VanDerWaalsContact O-N 3.15Å; K612-G614 PolarHBondContact O-N 3.33Å; K612-L623 HydrophobicContact CG-CD1 3.65Å |
| 613 | N | 89.4 | Confident | 91.2 | Very high | 131 Ų | 131 | 56 Ų | 56 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -73.4 | -11.9 | -179.7 | -62.3 | -12.9 | 0 | 0 | 0 | 112.9 | S610 M611 | S610-N613 VanDerWaalsContact O-CB 3.31Å; S610-N613 WeakPolarHBondContact O-CB 3.41Å; S610-N613 PolarHBondContact O-N 3.31Å; M611-N613 PolarHBondContact O-N 3.28Å |
| 614 | G | 90.5 | Very high | 91.3 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 25% | 0.247 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 92.7 | -5.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | M611 K612 H620 V621 | M611-G614 PolarHBondContact O-N 2.96Å; K612-G614 PolarHBondContact O-N 3.33Å; G614-H620 WeakPolarHBondContact O-CA 3.41Å; G614-V621 CarbonylContact C-O 3.6Å; G614-V621 VanDerWaalsContact CA-O 3.28Å; G614-V621 WeakPolarHBondContact CA-O 3.45Å; G614-V621 PolarHBondContact O-N 2.82Å |
| 615 | T | 90.9 | Very high | 91.5 | Very high | 73 Ų | 73 | 61.7 Ų | 61.7 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 136.7 | -177.3 | -1.5 | 0 | 0 | 0 | 0 | 111.8 | A619 | T615-A619 CarbonylContact C-O 3.28Å; T615-A619 WeakPolarHBondContact CA-O 3.24Å |
| 616 | V | 89.6 | Confident | 91.6 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 114.8 | 176.5 | 174 | 0 | 0 | 0 | 0 | 108.5 | K569 F572 F607 M611 E618 A619 V621 | K569-V616 HydrophobicContact CB-CG1 4.48Å; K569-V616 HydrophobicContact CG-CG1 3.72Å; F572-V616 HydrophobicContact CD2-CB 4.2Å; F572-V616 HydrophobicContact CD2-CG1 4.01Å; F607-V616 HydrophobicContact CE2-CG1 3.92Å; M611-V616 HydrophobicContact CG-CG2 3.85Å; V616-E618 VanDerWaalsContact C-N 3.32Å; V616-E618 PolarHBondContact O-N 3.32Å; V616-A619 PolarHBondContact N-O 3.27Å; V616-A619 WeakPolarHBondContact O-CA 3.44Å; V616-A619 WeakPolarHBondContact O-CB 3.46Å; V616-A619 PolarHBondContact O-N 3.42Å; V616-V621 HydrophobicContact CB-CG2 4.43Å; V616-V621 HydrophobicContact CG2-CG2 3.74Å |
| 617 | Q | 77.6 | Confident | 91.7 | Very high | 113 Ų | 113 | 56.8 Ų | 56.8 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.1 | 58 | -178.4 | -75.1 | -171.8 | -21.5 | 0 | 0 | 112.4 | K569 A619 | K569-Q617 HydrophobicContact CD-CG 4.34Å; Q617-A619 PolarHBondContact O-N 2.93Å |
| 618 | E | 83.3 | Confident | 91.7 | Very high | 169 Ų | 169 | 64 Ų | 64 | 79% | 0.79 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | -16.2 | -178.7 | -49.2 | 176.9 | 173.9 | 0 | 0 | 116 | V616 | V616-E618 VanDerWaalsContact C-N 3.32Å; V616-E618 PolarHBondContact O-N 3.32Å |
| 619 | A | 89.1 | Confident | 91.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | I465 F572 T615 V616 Q617 | I465-A619 HydrophobicContact CD1-CB 4.08Å; F572-A619 HydrophobicContact CB-CB 3.89Å; T615-A619 CarbonylContact C-O 3.28Å; T615-A619 WeakPolarHBondContact CA-O 3.24Å; V616-A619 PolarHBondContact N-O 3.27Å; V616-A619 WeakPolarHBondContact O-CA 3.44Å; V616-A619 WeakPolarHBondContact O-CB 3.46Å; V616-A619 PolarHBondContact O-N 3.42Å; Q617-A619 PolarHBondContact O-N 2.93Å |
| 620 | H | 94.4 | Very high | 91.9 | Very high | 68 Ų | 68 | 63.3 Ų | 63.3 | 32% | 0.315 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.9 | 173.9 | -68.3 | -73.3 | 0 | 0 | 0 | 110.2 | T464 I465 G614 | T464-H620 WeakPolarHBondContact CA-O 3.39Å; T464-H620 HydrophobicContact CG2-CB 4.4Å; I465-H620 PolarHBondContact N-O 3.06Å; G614-H620 WeakPolarHBondContact O-CA 3.41Å |
| 621 | V | 95.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.8 | -178.5 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | I465 V467 F572 M611 G614 V616 | I465-V621 HydrophobicContact CB-CG1 4.27Å; I465-V621 HydrophobicContact CD1-CG1 4.49Å; I465-V621 CarbonylContact O-C 3.53Å; I465-V621 WeakPolarHBondContact O-CA 3.09Å; V467-V621 HydrophobicContact CG2-CB 4.33Å; V467-V621 HydrophobicContact CG2-CG1 4.3Å; F572-V621 HydrophobicContact CD2-CG1 3.85Å; F572-V621 HydrophobicContact CE2-CG1 4.11Å; F572-V621 HydrophobicContact CG-CG1 4.18Å; M611-V621 HydrophobicContact CB-CG2 4.47Å; G614-V621 CarbonylContact C-O 3.6Å; G614-V621 VanDerWaalsContact CA-O 3.28Å; G614-V621 WeakPolarHBondContact CA-O 3.45Å; G614-V621 PolarHBondContact O-N 2.82Å; V616-V621 HydrophobicContact CB-CG2 4.43Å; V616-V621 HydrophobicContact CG2-CG2 3.74Å |
| 622 | V | 95.8 | Very high | 92 | Very high | 53 Ų | 53 | 68.4 Ų | 68.4 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 122.6 | 172.2 | 65.6 | 0 | 0 | 0 | 0 | 110.1 | T464 I465 Q466 V467 F629 | T464-V622 HydrophobicContact CG2-CB 4.18Å; T464-V622 HydrophobicContact CG2-CG1 3.89Å; I465-V622 PolarHBondContact O-N 3.46Å; Q466-V622 HydrophobicContact CB-CG1 4.42Å; Q466-V622 HydrophobicContact CG-CG1 3.95Å; V467-V622 PolarHBondContact N-O 2.96Å; V622-F629 HydrophobicContact CG1-CE1 4.13Å; V622-F629 HydrophobicContact CG1-CZ 3.95Å |
| 623 | L | 95.9 | Very high | 92.1 | Very high | 48 Ų | 48 | 63.4 Ų | 63.4 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 141.7 | 174.2 | -63 | 178.9 | 0 | 0 | 0 | 110.3 | V467 L469 M611 K612 | V467-L623 HydrophobicContact CB-CD2 3.86Å; V467-L623 HydrophobicContact CG1-CD2 3.83Å; V467-L623 WeakPolarHBondContact O-CA 3.07Å; L469-L623 HydrophobicContact CD1-CD1 4.49Å; L469-L623 HydrophobicContact CD1-CD2 4.19Å; L469-L623 HydrophobicContact CD2-CD2 4.25Å; L469-L623 HydrophobicContact CG-CD2 4.15Å; M611-L623 HydrophobicContact CB-CD1 4.11Å; M611-L623 HydrophobicContact CB-CD2 4.03Å; M611-L623 HydrophobicContact CB-CG 4.16Å; M611-L623 HydrophobicContact SD-CD2 4.29Å; K612-L623 HydrophobicContact CG-CD1 3.65Å |
| 624 | G | 94.6 | Very high | 92.3 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | trans | -174.9 | 173.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V467 F629 | V467-G624 PolarHBondContact O-N 2.82Å; V467-G624 VanDerWaalsContact O-N 3.13Å; G624-F629 VanDerWaalsContact CA-CE2 3.42Å; G624-F629 VanDerWaalsContact CA-CZ 3.48Å | ||
| 625 | R | 95.4 | Very high | 92.4 | Very high | 167 Ų | 167 | 59 Ų | 59 | 63% | 0.63 | 32% | 0.315 | S | S | * | . | trans | -75.3 | 143.2 | 177 | -67.4 | -173.1 | 173.5 | -176.4 | -2.8 | 111.2 | Q627 K628 F629 | R625-Q627 VanDerWaalsContact C-N 3.29Å; R625-Q627 PolarHBondContact O-N 2.77Å; R625-K628 WeakPolarHBondContact O-CB 3.32Å; R625-K628 PolarHBondContact O-N 3.03Å; R625-K628 VanDerWaalsContact O-N 3.09Å; R625-F629 PolarHBondContact O-N 2.91Å | ||
| 626 | A | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.8 | -45.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V468 V493 I496 K628 F629 V630 | V468-A626 HydrophobicContact CG1-CB 3.96Å; V468-A626 HydrophobicContact CG2-CB 4.24Å; V493-A626 HydrophobicContact CG1-CB 3.74Å; I496-A626 HydrophobicContact CD1-CB 3.88Å; A626-K628 VanDerWaalsContact C-N 3.25Å; A626-K628 PolarHBondContact O-N 3.09Å; A626-F629 PolarHBondContact O-N 3.48Å; A626-V630 PolarHBondContact O-N 2.94Å |
| 627 | Q | 94.8 | Very high | 92.3 | Very high | 74 Ų | 74 | 60.5 Ų | 60.5 | 35% | 0.346 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -31.2 | -177.5 | -59.8 | 92.5 | -19.3 | 0 | 0 | 113.4 | Q492 V493 I496 R625 F629 | Q492-Q627 PolarHBondContact O-NE2 3.33Å; V493-Q627 PolarHBondContact O-NE2 2.9Å; I496-Q627 HydrophobicContact CD1-CB 4.49Å; I496-Q627 HydrophobicContact CD1-CG 4.08Å; R625-Q627 VanDerWaalsContact C-N 3.29Å; R625-Q627 PolarHBondContact O-N 2.77Å; Q627-F629 VanDerWaalsContact C-N 3.34Å |
| 628 | K | 94.3 | Very high | 92.9 | Very high | 162 Ų | 162 | 55.2 Ų | 55.2 | 70% | 0.704 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -71.9 | -32.2 | 177.5 | -175.5 | 179.1 | 178.1 | -179.3 | 0 | 111.5 | R625 A626 | R625-K628 WeakPolarHBondContact O-CB 3.32Å; R625-K628 PolarHBondContact O-N 3.03Å; R625-K628 VanDerWaalsContact O-N 3.09Å; A626-K628 VanDerWaalsContact C-N 3.25Å; A626-K628 PolarHBondContact O-N 3.09Å |
| 629 | F | 96 | Very high | 92.8 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -84.3 | -22.6 | -172.9 | -69.6 | -34.2 | 0 | 0 | 0 | 114.1 | Q466 V468 F535 T586 V622 G624 R625 A626 Q627 A631 S632 G633 | Q466-F629 HydrophobicContact CB-CB 4.46Å; Q466-F629 HydrophobicContact CB-CD1 4.07Å; Q466-F629 HydrophobicContact CB-CD2 3.69Å; Q466-F629 HydrophobicContact CB-CE1 4.16Å; Q466-F629 HydrophobicContact CB-CE2 3.76Å; Q466-F629 HydrophobicContact CB-CG 3.84Å; Q466-F629 HydrophobicContact CB-CZ 4.01Å; Q466-F629 HydrophobicContact CG-CD1 3.81Å; Q466-F629 HydrophobicContact CG-CD2 4.35Å; Q466-F629 HydrophobicContact CG-CE1 3.92Å; Q466-F629 HydrophobicContact CG-CE2 4.42Å; Q466-F629 HydrophobicContact CG-CG 4.05Å; Q466-F629 HydrophobicContact CG-CZ 4.21Å; V468-F629 HydrophobicContact CG2-CD2 3.83Å; V468-F629 HydrophobicContact CG2-CE2 4.32Å; F535-F629 HydrophobicContact CE2-CB 4.27Å; F535-F629 HydrophobicContact CZ-CB 4.32Å; T586-F629 HydrophobicContact CG2-CB 4.33Å; T586-F629 HydrophobicContact CG2-CD2 4.45Å; V622-F629 HydrophobicContact CG1-CE1 4.13Å; V622-F629 HydrophobicContact CG1-CZ 3.95Å; G624-F629 VanDerWaalsContact CA-CE2 3.42Å; G624-F629 VanDerWaalsContact CA-CZ 3.48Å; R625-F629 PolarHBondContact O-N 2.91Å; A626-F629 PolarHBondContact O-N 3.48Å; Q627-F629 VanDerWaalsContact C-N 3.34Å; F629-A631 PolarHBondContact O-N 3.24Å; F629-A631 VanDerWaalsContact O-N 3.08Å; F629-S632 PolarHBondContact O-N 3.42Å; F629-S632 PolarHBondContact O-OG 2.81Å; F629-G633 PolarHBondContact O-N 3.13Å |
| 630 | V | 94.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 52.1 Ų | 52.1 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -42.2 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 113 | I496 F535 A626 S632 V635 | I496-V630 HydrophobicContact CD1-CG2 3.43Å; I496-V630 VanDerWaalsContact CD1-CG2 3.43Å; I496-V630 HydrophobicContact CG1-CG2 4.24Å; F535-V630 HydrophobicContact CD1-CG2 4.13Å; F535-V630 HydrophobicContact CE1-CG2 3.73Å; F535-V630 HydrophobicContact CE2-CG2 4.25Å; F535-V630 HydrophobicContact CZ-CG2 3.79Å; A626-V630 PolarHBondContact O-N 2.94Å; V630-S632 VanDerWaalsContact C-N 3.29Å; V630-S632 PolarHBondContact O-N 2.96Å; V630-V635 HydrophobicContact CG1-CG2 4.49Å |
| 631 | A | 92.2 | Very high | 92.2 | Very high | 102 Ų | 102 | 50 Ų | 50 | 84% | 0.843 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F629 | F629-A631 PolarHBondContact O-N 3.24Å; F629-A631 VanDerWaalsContact O-N 3.08Å |
| 632 | S | 93.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -16 | -176.2 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | Q466 R584 F629 V630 | Q466-S632 PolarHBondContact NE2-OG 3.44Å; R584-S632 PolarHBondContact N-O 2.78Å; F629-S632 PolarHBondContact O-N 3.42Å; F629-S632 PolarHBondContact O-OG 2.81Å; V630-S632 VanDerWaalsContact C-N 3.29Å; V630-S632 PolarHBondContact O-N 2.96Å |
| 633 | G | 92.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 168.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R584 F629 | R584-G633 VanDerWaalsContact O-CA 3.26Å; R584-G633 WeakPolarHBondContact O-CA 3.4Å; F629-G633 PolarHBondContact O-N 3.13Å |
| 634 | F | 92.3 | Very high | 90.1 | Very high | 16 Ų | 16 | 62 Ų | 62 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | trans | -76.9 | 133.8 | 169.8 | -177.1 | -120.9 | 0 | 0 | 0 | 110.6 | L455 K534 F535 W579 L581 R582 R584 E636 | L455-F634 HydrophobicContact CD2-CE2 3.81Å; L455-F634 HydrophobicContact CD2-CZ 3.73Å; K534-F634 HydrophobicContact CB-CB 4.3Å; K534-F634 HydrophobicContact CB-CD1 3.82Å; K534-F634 HydrophobicContact CD-CD1 3.42Å; K534-F634 VanDerWaalsContact CD-CD1 3.42Å; K534-F634 HydrophobicContact CD-CE1 3.57Å; K534-F634 HydrophobicContact CG-CD1 4.26Å; F535-F634 PolarHBondContact N-O 2.8Å; W579-F634 HydrophobicContact CH2-CB 4.35Å; W579-F634 HydrophobicContact CZ2-CB 3.75Å; W579-F634 HydrophobicContact CZ2-CG 4.42Å; L581-F634 HydrophobicContact CB-CD1 4.29Å; L581-F634 HydrophobicContact CB-CD2 4.5Å; L581-F634 HydrophobicContact CB-CE1 4.46Å; L581-F634 HydrophobicContact CB-CG 4.31Å; L581-F634 HydrophobicContact CD1-CD1 3.89Å; L581-F634 HydrophobicContact CD1-CE1 3.82Å; R582-F634 HydrophobicContact CB-CD2 4.47Å; R582-F634 WeakPolarHBondContact O-CB 3.47Å; R582-F634 WeakPolarHBondContact O-CD2 3.34Å; R582-F634 VanDerWaalsContact O-CG 3.31Å; R582-F634 WeakPolarHBondContact O-CG 3.11Å; R584-F634 PolarHBondContact O-N 3.41Å; F634-E636 HydrophobicContact CE1-CB 3.87Å; F634-E636 HydrophobicContact CE1-CG 4.48Å; F634-E636 HydrophobicContact CZ-CB 4.26Å | ||
| 635 | V | 92.5 | Very high | 89.5 | Confident | 48 Ų | 48 | 61 Ų | 61 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.5 | 175.6 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | F535 R537 V630 | F535-V635 HydrophobicContact CB-CG2 4.06Å; F535-V635 WeakPolarHBondContact O-CA 3.4Å; R537-V635 HydrophobicContact CB-CG1 4.41Å; V630-V635 HydrophobicContact CG1-CG2 4.49Å |
| 636 | E | 90.1 | Very high | 88.3 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.8 | 175.2 | -170.1 | 169.2 | -102.6 | 0 | 0 | 110.7 | F235 K534 F535 Y536 R537 F634 L638 | F235-E636 HydrophobicContact CE1-CG 4.3Å; K534-E636 HydrophobicContact CD-CB 4.35Å; K534-E636 WeakPolarHBondContact CE-OE2 3.48Å; K534-E636 IonicContact NZ-OE1 2.78Å; K534-E636 PolarHBondContact NZ-OE1 3.09Å; K534-E636 IonicContact NZ-OE2 3.71Å; K534-E636 PolarHBondContact NZ-OE2 3.18Å; F535-E636 PolarHBondContact O-N 3.27Å; Y536-E636 CarbonylContact C-O 3.51Å; Y536-E636 VanDerWaalsContact CA-O 3.32Å; Y536-E636 WeakPolarHBondContact CA-O 3.43Å; Y536-E636 HydrophobicContact CD1-CB 4.13Å; Y536-E636 HydrophobicContact CE1-CB 4.31Å; Y536-E636 VanDerWaalsContact CE1-OE2 3.25Å; Y536-E636 WeakPolarHBondContact CE1-OE2 3.19Å; R537-E636 PolarHBondContact N-O 3.27Å; F634-E636 HydrophobicContact CE1-CB 3.87Å; F634-E636 HydrophobicContact CE1-CG 4.48Å; F634-E636 HydrophobicContact CZ-CB 4.26Å; E636-L638 HydrophobicContact CG-CD2 4.2Å |
| 637 | H | 89.7 | Confident | 87 | Confident | 91 Ų | 91 | 63.2 Ų | 63.2 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.7 | -178.7 | -75.2 | -110.7 | 0 | 0 | 0 | 110.7 | F235 | F235-H637 WeakPolarHBondContact CE1-O 3.49Å; F235-H637 WeakPolarHBondContact CZ-O 3.26Å |
| 638 | L | 88.5 | Confident | 85.2 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 76.5 | 179.5 | -55.6 | -176.1 | 0 | 0 | 0 | 110.1 | F235 L504 V507 M511 Y536 R537 I538 E636 F640 | F235-L638 HydrophobicContact CD1-CD2 4.1Å; F235-L638 HydrophobicContact CE1-CD2 3.79Å; F235-L638 HydrophobicContact CZ-CD2 4.4Å; L504-L638 HydrophobicContact CD1-CD1 4.11Å; V507-L638 HydrophobicContact CG1-CB 4.48Å; V507-L638 HydrophobicContact CG1-CD1 3.71Å; M511-L638 HydrophobicContact CE-CD2 4.48Å; Y536-L638 HydrophobicContact CD1-CD1 3.55Å; Y536-L638 HydrophobicContact CD1-CD2 4.32Å; Y536-L638 HydrophobicContact CD1-CG 3.89Å; Y536-L638 HydrophobicContact CE1-CD1 4.02Å; Y536-L638 HydrophobicContact CG-CD1 4.38Å; R537-L638 PolarHBondContact O-N 3.34Å; I538-L638 HydrophobicContact CD1-CD1 4Å; I538-L638 HydrophobicContact CG1-CB 4.37Å; I538-L638 HydrophobicContact CG1-CD1 4.11Å; I538-L638 HydrophobicContact CG1-CG 4.48Å; E636-L638 HydrophobicContact CG-CD2 4.2Å; L638-F640 HydrophobicContact CB-CD1 4.48Å; L638-F640 HydrophobicContact CB-CE1 3.74Å; L638-F640 HydrophobicContact CB-CZ 3.93Å; L638-F640 HydrophobicContact CD1-CZ 4.4Å; L638-F640 HydrophobicContact CD2-CE1 3.72Å; L638-F640 HydrophobicContact CD2-CZ 4.13Å; L638-F640 HydrophobicContact CG-CE1 4.22Å; L638-F640 HydrophobicContact CG-CZ 4.37Å; L638-F640 PolarHBondContact O-N 3.42Å |
| 639 | D | 81.5 | Confident | 84.2 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 27.2 | -172.3 | -62 | -34.1 | 0 | 0 | 0 | 113.8 | H230 | H230-D639 HydrophobicContact CB-CB 4.11Å; H230-D639 WeakPolarHBondContact CB-OD2 3.49Å; H230-D639 IonicContact CG-OD2 3.27Å |
| 640 | F | 85.3 | Confident | 83.6 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 1.5 | 178.6 | 53.6 | -101 | 0 | 0 | 0 | 113.7 | F235 V507 F510 M511 L638 | F235-F640 HydrophobicContact CD2-CD1 4.22Å; F235-F640 HydrophobicContact CD2-CE1 4.24Å; F235-F640 AromaticContact CE2-CD1 3.7Å; F235-F640 HydrophobicContact CE2-CD1 3.7Å; F235-F640 AromaticContact CE2-CE1 3.98Å; F235-F640 HydrophobicContact CE2-CE1 3.98Å; F235-F640 HydrophobicContact CZ-CD1 4.13Å; F235-F640 HydrophobicContact CZ-CE1 4.19Å; V507-F640 HydrophobicContact CG1-CE2 4.12Å; V507-F640 HydrophobicContact CG1-CZ 4.08Å; V507-F640 WeakPolarHBondContact O-CE2 3.42Å; F510-F640 HydrophobicContact CB-CD2 3.96Å; F510-F640 HydrophobicContact CB-CE2 4.14Å; M511-F640 HydrophobicContact CB-CD2 4.17Å; M511-F640 HydrophobicContact CB-CE1 4.24Å; M511-F640 HydrophobicContact CB-CE2 3.83Å; M511-F640 HydrophobicContact CB-CZ 3.86Å; M511-F640 HydrophobicContact CE-CD1 4.48Å; M511-F640 HydrophobicContact CE-CE1 3.48Å; M511-F640 VanDerWaalsContact CE-CE1 3.48Å; M511-F640 HydrophobicContact CE-CZ 3.57Å; M511-F640 HydrophobicContact CG-CD1 4.45Å; M511-F640 HydrophobicContact CG-CE1 4.19Å; M511-F640 HydrophobicContact CG-CZ 4.29Å; L638-F640 HydrophobicContact CB-CD1 4.48Å; L638-F640 HydrophobicContact CB-CE1 3.74Å; L638-F640 HydrophobicContact CB-CZ 3.93Å; L638-F640 HydrophobicContact CD1-CZ 4.4Å; L638-F640 HydrophobicContact CD2-CE1 3.72Å; L638-F640 HydrophobicContact CD2-CZ 4.13Å; L638-F640 HydrophobicContact CG-CE1 4.22Å; L638-F640 HydrophobicContact CG-CZ 4.37Å; L638-F640 PolarHBondContact O-N 3.42Å |
| 641 | L | 85.7 | Confident | 83.2 | Confident | 24 Ų | 24 | 66.2 Ų | 66.2 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -73.3 | 142.3 | -176.1 | -76.9 | 176.1 | 0 | 0 | 0 | 112.7 | V507 F510 I538 F651 | V507-L641 HydrophobicContact CG1-CD1 4.22Å; V507-L641 HydrophobicContact CG1-CD2 4.12Å; V507-L641 HydrophobicContact CG1-CG 4.33Å; F510-L641 HydrophobicContact CB-CD2 4Å; F510-L641 HydrophobicContact CD2-CD2 3.4Å; F510-L641 VanDerWaalsContact CD2-CD2 3.4Å; F510-L641 HydrophobicContact CE2-CD2 4.07Å; F510-L641 HydrophobicContact CG-CD2 3.84Å; I538-L641 HydrophobicContact CG2-CD1 3.26Å; L641-F651 HydrophobicContact CD1-CE2 4.2Å; L641-F651 HydrophobicContact CD1-CZ 4.41Å; L641-F651 HydrophobicContact CD2-CZ 4.15Å |
| 642 | P | 82.7 | Confident | 83 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 26% | 0.26 | 34% | 0.338 | S | S | . | . | trans | -60.6 | 140.6 | 168.8 | -22.1 | 33.2 | 0 | 0 | 0 | 111.6 | F510 W644 T645 | F510-P642 HydrophobicContact CD1-CG 3.69Å; F510-P642 HydrophobicContact CE1-CG 3.84Å; F510-P642 HydrophobicContact CG-CG 4.49Å; P642-W644 HydrophobicContact CB-CG 4.34Å; P642-W644 VanDerWaalsContact CB-NE1 3.28Å; P642-W644 PolarHBondContact O-N 2.97Å; P642-W644 VanDerWaalsContact O-N 3.1Å; P642-T645 HydrophobicContact CB-CG2 4.35Å; P642-T645 HydrophobicContact CG-CG2 4.46Å; P642-T645 WeakPolarHBondContact O-CB 3.43Å; P642-T645 PolarHBondContact O-N 3.48Å; P642-T645 PolarHBondContact O-OG1 2.92Å | ||
| 643 | Y | 77.8 | Confident | 82.7 | Confident | 174 Ų | 174 | 72 Ų | 72 | 68% | 0.682 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -56.2 | -32.7 | -175.9 | -176.8 | -103.1 | 0 | 0 | 0 | 113.8 | T645 A646 K647 | Y643-T645 VanDerWaalsContact C-N 3.26Å; Y643-T645 PolarHBondContact O-N 2.93Å; Y643-A646 WeakPolarHBondContact O-CB 3.44Å; Y643-A646 PolarHBondContact O-N 2.71Å; Y643-K647 HydrophobicContact CE1-CD 4.11Å |
| 644 | W | 83 | Confident | 82.6 | Confident | 143 Ų | 143 | 72.9 Ų | 72.9 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -65.7 | -27.1 | 179.4 | 64.3 | -100.4 | 0 | 0 | 0 | 113.2 | F510 P642 A646 K647 Y650 | F510-W644 HydrophobicContact CE1-CZ2 4.19Å; F510-W644 HydrophobicContact CZ-CH2 4.27Å; F510-W644 HydrophobicContact CZ-CZ2 4.18Å; P642-W644 HydrophobicContact CB-CG 4.34Å; P642-W644 VanDerWaalsContact CB-NE1 3.28Å; P642-W644 PolarHBondContact O-N 2.97Å; P642-W644 VanDerWaalsContact O-N 3.1Å; W644-A646 PolarHBondContact O-N 3.11Å; W644-K647 PolarHBondContact O-N 3.43Å; W644-K647 VanDerWaalsContact O-N 3.1Å; W644-Y650 HydrophobicContact CH2-CD2 4.22Å; W644-Y650 HydrophobicContact CH2-CE2 4.14Å; W644-Y650 AromaticContact CZ3-CD2 3.89Å; W644-Y650 HydrophobicContact CZ3-CD2 3.89Å; W644-Y650 HydrophobicContact CZ3-CE2 4.27Å; W644-Y650 HydrophobicContact CZ3-CG 4.13Å |
| 645 | T | 81.6 | Confident | 82.4 | Confident | 4 Ų | 4 | 77.6 Ų | 77.6 | 3% | 0.025 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -66.2 | -23.1 | 177.3 | 66.6 | 0 | 0 | 0 | 0 | 112.4 | F510 P642 Y643 K647 | F510-T645 HydrophobicContact CE2-CG2 4.4Å; F510-T645 HydrophobicContact CZ-CG2 4.14Å; P642-T645 HydrophobicContact CB-CG2 4.35Å; P642-T645 HydrophobicContact CG-CG2 4.46Å; P642-T645 WeakPolarHBondContact O-CB 3.43Å; P642-T645 PolarHBondContact O-N 3.48Å; P642-T645 PolarHBondContact O-OG1 2.92Å; Y643-T645 VanDerWaalsContact C-N 3.26Å; Y643-T645 PolarHBondContact O-N 2.93Å; T645-K647 VanDerWaalsContact C-N 3.32Å |
| 646 | A | 71.3 | Confident | 82.3 | Confident | 55 Ų | 55 | 77.8 Ų | 77.8 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -76.2 | -20 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y643 W644 | Y643-A646 WeakPolarHBondContact O-CB 3.44Å; Y643-A646 PolarHBondContact O-N 2.71Å; W644-A646 PolarHBondContact O-N 3.11Å |
| 647 | K | 66.7 | Low | 82.1 | Confident | 160 Ų | 160 | 80.5 Ų | 80.5 | 70% | 0.696 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -13.9 | -175.5 | -73.3 | -173.1 | 170.3 | -179.5 | 0 | 114.2 | Y643 W644 T645 | Y643-K647 HydrophobicContact CE1-CD 4.11Å; W644-K647 PolarHBondContact O-N 3.43Å; W644-K647 VanDerWaalsContact O-N 3.1Å; T645-K647 VanDerWaalsContact C-N 3.32Å |
| 648 | G | 58.5 | Low | 81.6 | Confident | 45 Ų | 45 | 83 Ų | 83 | 46% | 0.464 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -116.5 | 157.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y650 | G648-Y650 PolarHBondContact O-N 3.01Š|
| 649 | E | 73.4 | Confident | 80.6 | Confident | 176 Ų | 176 | 85.5 Ų | 85.5 | 82% | 0.822 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 41.4 | 165.4 | -63.6 | -164.8 | 154 | 0 | 0 | 111.7 | F651 | E649-F651 VanDerWaalsContact C-N 3.26Å; E649-F651 PolarHBondContact O-N 3.27Å |
| 650 | Y | 82.6 | Confident | 79.4 | Confident | 102 Ų | 102 | 85.1 Ų | 85.1 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -36.8 | -178.9 | -178.1 | -97.9 | 0 | 0 | 0 | 111.3 | F510 W644 G648 | F510-Y650 HydrophobicContact CE2-CE1 4.26Å; F510-Y650 HydrophobicContact CZ-CE1 4.4Å; W644-Y650 HydrophobicContact CH2-CD2 4.22Å; W644-Y650 HydrophobicContact CH2-CE2 4.14Å; W644-Y650 AromaticContact CZ3-CD2 3.89Å; W644-Y650 HydrophobicContact CZ3-CD2 3.89Å; W644-Y650 HydrophobicContact CZ3-CE2 4.27Å; W644-Y650 HydrophobicContact CZ3-CG 4.13Å; G648-Y650 PolarHBondContact O-N 3.01Å |
| 651 | F | 86.8 | Confident | 77.5 | Confident | 24 Ų | 24 | 94.2 Ų | 94.2 | 11% | 0.105 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -96.2 | 131.2 | 173.4 | -54.3 | -68.6 | 0 | 0 | 0 | 109.9 | W499 R506 V507 F510 L641 E649 | W499-F651 HydrophobicContact CH2-CB 3.48Å; W499-F651 VanDerWaalsContact CH2-CB 3.48Å; W499-F651 HydrophobicContact CH2-CD1 4.3Å; W499-F651 AromaticContact CH2-CD2 3.79Å; W499-F651 HydrophobicContact CH2-CD2 3.79Å; W499-F651 AromaticContact CH2-CG 3.59Å; W499-F651 HydrophobicContact CH2-CG 3.59Å; W499-F651 HydrophobicContact CZ2-CB 3.65Å; W499-F651 HydrophobicContact CZ2-CG 4.26Å; W499-F651 HydrophobicContact CZ3-CB 4.01Å; W499-F651 HydrophobicContact CZ3-CD1 4.28Å; W499-F651 HydrophobicContact CZ3-CD2 4.5Å; W499-F651 HydrophobicContact CZ3-CG 4.01Å; R506-F651 HydrophobicContact CB-CD1 4.39Å; R506-F651 HydrophobicContact CB-CE1 4.08Å; V507-F651 HydrophobicContact CB-CE1 4.42Å; V507-F651 HydrophobicContact CG2-CD1 3.96Å; V507-F651 HydrophobicContact CG2-CE1 3.47Å; V507-F651 VanDerWaalsContact CG2-CE1 3.47Å; V507-F651 HydrophobicContact CG2-CE2 4.27Å; V507-F651 HydrophobicContact CG2-CZ 3.65Å; F510-F651 HydrophobicContact CE2-CZ 4.33Å; L641-F651 HydrophobicContact CD1-CE2 4.2Å; L641-F651 HydrophobicContact CD1-CZ 4.41Å; L641-F651 HydrophobicContact CD2-CZ 4.15Å; E649-F651 VanDerWaalsContact C-N 3.26Å; E649-F651 PolarHBondContact O-N 3.27Å |
| 652 | R | 86.5 | Confident | 75.6 | Confident | 178 Ų | 178 | 96.6 Ų | 96.6 | 67% | 0.672 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 118 | -178.7 | -67.6 | -174.7 | -177.6 | 176.3 | -0.1 | 110.7 | Q503 | Q503-R652 VanDerWaalsContact CG-O 3.3Å; Q503-R652 WeakPolarHBondContact CG-O 3.46Å |
| 653 | R | 88.4 | Confident | 73.9 | Confident | 94 Ų | 94 | 104 Ų | 104 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | B | Isolated β-bridge | trans | -75.9 | 161.8 | 168.7 | 66.1 | -176.7 | -178.9 | 161.6 | 2.3 | 111.2 | E494 Q497 H655 | E494-R653 IonicContact OE1-CZ 2.87Å; E494-R653 IonicContact OE1-NH1 3.39Å; E494-R653 PolarHBondContact OE1-NH1 2.87Å; E494-R653 IonicContact OE1-NH2 3.87Å; Q497-R653 HydrophobicContact CB-CB 4.49Å; R653-H655 PolarHBondContact O-CD2 3.31Å; R653-H655 PolarHBondContact O-N 3.27Å |
| 654 | L | 88.8 | Confident | 72.3 | Confident | 28 Ų | 28 | 102.2 Ų | 102.2 | 15% | 0.147 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 117.5 | 165.9 | -177.9 | 67 | 0 | 0 | 0 | 109 | I470 P490 I498 Y546 L590 | I470-L654 HydrophobicContact CG2-CD2 4.45Å; P490-L654 WeakPolarHBondContact CB-O 3.35Å; P490-L654 HydrophobicContact CG-CD2 3.88Å; P490-L654 HydrophobicContact CG-CG 3.99Å; I498-L654 HydrophobicContact CB-CB 4.21Å; I498-L654 HydrophobicContact CB-CD2 4.41Å; I498-L654 HydrophobicContact CG2-CB 4.21Å; I498-L654 HydrophobicContact CG2-CD2 3.93Å; I498-L654 WeakPolarHBondContact O-CB 3.38Å; I498-L654 PolarHBondContact O-N 3.22Å; Y546-L654 HydrophobicContact CE1-CD2 4.42Å; L590-L654 HydrophobicContact CD1-CD2 3.62Å; L590-L654 HydrophobicContact CD2-CD2 4.12Å |
| 655 | H | 89.3 | Confident | 70.5 | Confident | 114 Ų | 114 | 98.2 Ų | 98.2 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 146.8 | 173 | -68.4 | -91.3 | 0 | 0 | 0 | 110.2 | R653 L657 | R653-H655 PolarHBondContact O-CD2 3.31Å; R653-H655 PolarHBondContact O-N 3.27Å; H655-L657 PolarHBondContact O-N 2.8Å |
| 656 | Q | 90.4 | Very high | 68.9 | Low | 52 Ų | 52 | 103 Ų | 103 | 24% | 0.243 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 127.5 | 171.2 | -174.2 | -179.1 | -77.3 | 0 | 0 | 109 | E472 T489 V491 D658 | E472-Q656 CarbonylContact O-C 3.5Å; E472-Q656 WeakPolarHBondContact O-CA 3.42Å; T489-Q656 PolarHBondContact OG1-OE1 3.47Å; T489-Q656 VanDerWaalsContact OG1-OE1 3.04Å; V491-Q656 HydrophobicContact CG2-CB 4.1Å; Q656-D658 PolarHBondContact O-N 2.89Å |
| 657 | L | 85.8 | Confident | 67.6 | Low | 80 Ų | 80 | 105.8 Ų | 105.8 | 42% | 0.419 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 119.6 | 178.4 | -170.4 | 79.4 | 0 | 0 | 0 | 109.7 | E472 S473 E593 H655 T659 | E472-L657 HydrophobicContact CG-CB 4.31Å; E472-L657 HydrophobicContact CG-CD2 4.43Å; E472-L657 PolarHBondContact O-N 3.47Å; S473-L657 WeakPolarHBondContact CB-O 3.49Å; E593-L657 HydrophobicContact CG-CD2 3.93Å; H655-L657 PolarHBondContact O-N 2.8Å; L657-T659 HydrophobicContact CD2-CG2 3.64Å; L657-T659 HydrophobicContact CG-CG2 4.12Å; L657-T659 PolarHBondContact O-N 3.32Å |
| 658 | D | 79.8 | Confident | 66.5 | Low | 144 Ų | 144 | 102.8 Ų | 102.8 | 77% | 0.77 | 51% | 0.51 | S | S | * | . | trans | -85.3 | 94.8 | 172.4 | -83.9 | -27.6 | 0 | 0 | 0 | 110 | Q656 G660 | Q656-D658 PolarHBondContact O-N 2.89Å; D658-G660 PolarHBondContact O-N 2.73Å | ||
| 659 | T | 66 | Low | 65.8 | Low | 54 Ų | 54 | 102.5 Ų | 102.5 | 33% | 0.331 | 50% | 0.498 | S | S | . | . | trans | -79 | 10.6 | 175.1 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | E593 L657 | E593-T659 HydrophobicContact CG-CG2 4.21Å; E593-T659 WeakPolarHBondContact OE1-CG2 3.33Å; L657-T659 HydrophobicContact CD2-CG2 3.64Å; L657-T659 HydrophobicContact CG-CG2 4.12Å; L657-T659 PolarHBondContact O-N 3.32Å | ||
| 660 | G | 56 | Low | 64.1 | Low | 55 Ų | 55 | 98.2 Ų | 98.2 | 57% | 0.567 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 166.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D658 S662 | D658-G660 PolarHBondContact O-N 2.73Å; G660-S662 PolarHBondContact O-N 3.36Å |
| 661 | R | 46.8 | Very low | 61.9 | Low | 232 Ų | 232 | 102.3 Ų | 102.3 | 88% | 0.875 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 32.3 | 172 | -65 | -173.1 | -176.3 | 178.7 | 1.7 | 112.5 | Y663 | R661-Y663 HydrophobicContact CB-CD2 4.44Å; R661-Y663 HydrophobicContact CB-CE2 4.4Å; R661-Y663 WeakPolarHBondContact O-CD2 3.38Å; R661-Y663 PolarHBondContact O-N 3.11Å |
| 662 | S | 46.4 | Very low | 59.4 | Low | 75 Ų | 75 | 104.1 Ų | 104.1 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | trans | -72.2 | 80.2 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | G660 Q664 | G660-S662 PolarHBondContact O-N 3.36Å; S662-Q664 PolarHBondContact O-N 3.04Å | ||
| 663 | Y | 46.3 | Very low | 56.7 | Low | 194 Ų | 194 | 100.8 Ų | 100.8 | 76% | 0.761 | 52% | 0.524 | S | S | * | . | trans | -64.7 | 64 | 157.4 | -68.9 | -89.4 | 0 | 0 | 0 | 108.2 | R661 S665 | R661-Y663 HydrophobicContact CB-CD2 4.44Å; R661-Y663 HydrophobicContact CB-CE2 4.4Å; R661-Y663 WeakPolarHBondContact O-CD2 3.38Å; R661-Y663 PolarHBondContact O-N 3.11Å; Y663-S665 PolarHBondContact O-N 3.3Å | ||
| 664 | Q | 44.9 | Very low | 53.9 | Low | 137 Ų | 137 | 104 Ų | 104 | 64% | 0.64 | 55% | 0.548 | S | S | * | . | trans | -63.5 | 122.8 | 146.5 | -78.9 | -171.2 | 2.5 | 0 | 0 | 104.4 | S662 N668 | S662-Q664 PolarHBondContact O-N 3.04Å; Q664-N668 HydrophobicContact CB-CB 4.32Å | ||
| 665 | S | 44.1 | Very low | 51.2 | Low | 59 Ų | 59 | 105.9 Ų | 105.9 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | trans | -41.6 | 145.1 | -173.8 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | Y663 D667 N668 | Y663-S665 PolarHBondContact O-N 3.3Å; S665-D667 PolarHBondContact O-N 3.03Å; S665-D667 VanDerWaalsContact OG-CG 3.27Å; S665-D667 PolarHBondContact OG-N 3.28Å; S665-D667 PolarHBondContact OG-OD2 2.95Å; S665-N668 WeakPolarHBondContact O-CB 3.39Å; S665-N668 PolarHBondContact O-N 3.04Å | ||
| 666 | L | 47.2 | Very low | 48.3 | Very low | 105 Ų | 105 | 105.6 Ų | 105.6 | 55% | 0.55 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -51.7 | -19.5 | 169.5 | -78.5 | 160.9 | 0 | 0 | 0 | 111.6 | V479 N668 L669 | V479-L666 HydrophobicContact CG2-CD2 3.92Å; L666-N668 PolarHBondContact O-N 2.96Å; L666-L669 HydrophobicContact CB-CD1 4.39Å; L666-L669 HydrophobicContact CD2-CD1 3.57Å; L666-L669 WeakPolarHBondContact O-CB 3.46Å; L666-L669 WeakPolarHBondContact O-CD1 3.35Å; L666-L669 PolarHBondContact O-N 2.7Å |
| 667 | D | 44.2 | Very low | 45.3 | Very low | 113 Ų | 113 | 108.7 Ų | 108.7 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -66.5 | -12.5 | 170.5 | -51.6 | -46.4 | 0 | 0 | 0 | 115.4 | S665 L669 K671 | S665-D667 PolarHBondContact O-N 3.03Å; S665-D667 VanDerWaalsContact OG-CG 3.27Å; S665-D667 PolarHBondContact OG-N 3.28Å; S665-D667 PolarHBondContact OG-OD2 2.95Å; D667-L669 CarbonylContact C-O 3.41Å; D667-K671 WeakPolarHBondContact O-CG 3.27Å |
| 668 | N | 43.4 | Very low | 42.7 | Very low | 97 Ų | 97 | 115 Ų | 115 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -98.5 | -3.4 | 174 | -72.4 | -16.6 | 0 | 0 | 0 | 112.8 | Q664 S665 L666 | Q664-N668 HydrophobicContact CB-CB 4.32Å; S665-N668 WeakPolarHBondContact O-CB 3.39Å; S665-N668 PolarHBondContact O-N 3.04Å; L666-N668 PolarHBondContact O-N 2.96Å |
| 669 | L | 44.4 | Very low | 40.2 | Very low | 40 Ų | 40 | 110.3 Ų | 110.3 | 21% | 0.209 | 60% | 0.595 | C | S | . | * | S | Bend | trans | -57.1 | 135 | 147.4 | -81.6 | 98.6 | 0 | 0 | 0 | 105.5 | V479 L666 D667 K671 | V479-L669 HydrophobicContact CG1-CD2 3.78Å; V479-L669 HydrophobicContact CG2-CD1 4.24Å; V479-L669 HydrophobicContact CG2-CD2 4.48Å; L666-L669 HydrophobicContact CB-CD1 4.39Å; L666-L669 HydrophobicContact CD2-CD1 3.57Å; L666-L669 WeakPolarHBondContact O-CB 3.46Å; L666-L669 WeakPolarHBondContact O-CD1 3.35Å; L666-L669 PolarHBondContact O-N 2.7Å; D667-L669 CarbonylContact C-O 3.41Å; L669-K671 PolarHBondContact O-N 3.09Å |
| 670 | P | 37.6 | Very low | 38.5 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 56% | 0.558 | 62% | 0.615 | S | S | * | * | trans | -43.4 | 124.9 | -165.6 | 18 | -31.3 | 0 | 0 | 0 | 108.9 | A672 | P670-A672 PolarHBondContact O-N 3.1Š| ||
| 671 | K | 36.8 | Very low | 37.2 | Very low | 188 Ų | 188 | 120 Ų | 120 | 82% | 0.817 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -58.4 | 63.1 | 178.6 | -73 | 177.8 | 174.4 | 174.8 | 0 | 111.2 | D667 L669 | D667-K671 WeakPolarHBondContact O-CG 3.27Å; L669-K671 PolarHBondContact O-N 3.09Å |
| 672 | A | 34.1 | Very low | 36.2 | Very low | 61 Ų | 61 | 119.1 Ų | 119.1 | 50% | 0.504 | 63% | 0.628 | S | S | . | * | trans | -119.7 | 8.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P670 | P670-A672 PolarHBondContact O-N 3.1Š| ||
| 673 | V | 30.9 | Very low | 35.4 | Very low | 109 Ų | 109 | 123.2 Ų | 123.2 | 66% | 0.661 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -116.4 | 34.1 | 178.4 | -160.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 674 | N | 29.6 | Very low | 35.2 | Very low | 162 Ų | 162 | 119.4 Ų | 119.4 | 87% | 0.866 | 63% | 0.626 | S | S | * | * | trans | -128.7 | 74.7 | 157.5 | -91.3 | -23.8 | 0 | 0 | 0 | 108.2 | ||||
| 675 | I | 30.8 | Very low | 35.2 | Very low | 66 Ų | 66 | 118 Ų | 118 | 34% | 0.338 | 63% | 0.631 | S | S | . | * | trans | -120.2 | 115.9 | 170.9 | -61.6 | 174 | 0 | 0 | 0 | 107.4 | F683 | I675-F683 HydrophobicContact CD1-CD2 3.89Å; I675-F683 HydrophobicContact CD1-CE2 3.95Å | ||
| 676 | P | 27.8 | Very low | 35.8 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | trans | -61.8 | 142.6 | 169 | 26.5 | -30.4 | 0 | 0 | 0 | 108.8 | K678 S679 | P676-K678 PolarHBondContact O-N 3.21Å; P676-S679 PolarHBondContact O-N 3.39Å | ||
| 677 | S | 29.5 | Very low | 37.1 | Very low | 117 Ų | 117 | 118.6 Ų | 118.6 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 15 | -163.9 | -24.3 | 0 | 0 | 0 | 0 | 117.8 | ||
| 678 | K | 30.5 | Very low | 38.9 | Very low | 212 Ų | 212 | 116.2 Ų | 116.2 | 92% | 0.922 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 4 | -178.7 | -72 | -173.6 | 174.7 | -177.5 | 0 | 115 | P676 | P676-K678 PolarHBondContact O-N 3.21Š|
| 679 | S | 26.5 | Very low | 40.8 | Very low | 46 Ų | 46 | 114 Ų | 114 | 32% | 0.322 | 61% | 0.606 | S | S | . | * | trans | -121.3 | 26.8 | -176.7 | -179.1 | 0 | 0 | 0 | 0 | 114.5 | P676 N681 | P676-S679 PolarHBondContact O-N 3.39Å; S679-N681 PolarHBondContact O-N 3.49Å | ||
| 680 | L | 30.6 | Very low | 42.8 | Very low | 143 Ų | 143 | 115.7 Ų | 115.7 | 75% | 0.749 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -10.2 | -175.9 | -117.6 | 79.2 | 0 | 0 | 0 | 115.2 | ||
| 681 | N | 28.8 | Very low | 45.3 | Very low | 169 Ų | 169 | 114.9 Ų | 114.9 | 90% | 0.904 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 4.1 | -174.4 | -73.4 | -7.2 | 0 | 0 | 0 | 115 | S679 | S679-N681 PolarHBondContact O-N 3.49Š|
| 682 | R | 25.6 | Very low | 47.7 | Very low | 214 Ų | 214 | 106.5 Ų | 106.5 | 81% | 0.808 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -124.3 | 9.8 | -167.6 | -130.4 | -174.7 | -77.1 | -176.1 | -5 | 117.2 | ||
| 683 | F | 29.8 | Very low | 50.4 | Low | 161 Ų | 161 | 103.6 Ų | 103.6 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | trans | -114.8 | 58.2 | 174.6 | -75.4 | -81.4 | 0 | 0 | 0 | 112 | I675 | I675-F683 HydrophobicContact CD1-CD2 3.89Å; I675-F683 HydrophobicContact CD1-CE2 3.95Å | ||
| 684 | Q | 41.3 | Very low | 53.3 | Low | 115 Ų | 115 | 104 Ų | 104 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | trans | -89.7 | 117.4 | 135.9 | -84.6 | 167.5 | -33.8 | 0 | 0 | 104.6 | H686 | Q684-H686 VanDerWaalsContact CB-CD2 3.45Å; Q684-H686 WeakPolarHBondContact CB-CD2 3.37Å; Q684-H686 PolarHBondContact O-N 3.26Å; Q684-H686 PolarHBondContact OE1-NE2 2.95Å | ||
| 685 | S | 45.4 | Very low | 56.2 | Low | 106 Ų | 106 | 96.3 Ų | 96.3 | 74% | 0.741 | 49% | 0.49 | S | S | * | . | trans | -65.3 | 75.5 | 165.5 | 54.6 | 0 | 0 | 0 | 0 | 107.7 | M687 | S685-M687 PolarHBondContact O-N 3.33Å; S685-M687 VanDerWaalsContact O-N 3.1Å | ||
| 686 | H | 57.4 | Low | 59.1 | Low | 128 Ų | 128 | 93.2 Ų | 93.2 | 59% | 0.593 | 47% | 0.474 | S | S | * | . | trans | -66.9 | 109.4 | 170.4 | -93.3 | -82.4 | 0 | 0 | 0 | 105.8 | Q684 S688 | Q684-H686 VanDerWaalsContact CB-CD2 3.45Å; Q684-H686 WeakPolarHBondContact CB-CD2 3.37Å; Q684-H686 PolarHBondContact O-N 3.26Å; Q684-H686 PolarHBondContact OE1-NE2 2.95Å; H686-S688 PolarHBondContact O-N 2.74Å | ||
| 687 | M | 73.3 | Confident | 62.1 | Low | 49 Ų | 49 | 88.5 Ų | 88.5 | 24% | 0.241 | 44% | 0.443 | C | S | . | . | trans | -47.7 | 136.8 | 161.8 | -78 | 174.2 | 59.7 | 0 | 0 | 107.7 | S685 E691 I692 A723 | S685-M687 PolarHBondContact O-N 3.33Å; S685-M687 VanDerWaalsContact O-N 3.1Å; M687-E691 HydrophobicContact CE-CB 4.09Å; M687-E691 HydrophobicContact CE-CG 3.87Å; M687-I692 HydrophobicContact CB-CD1 4.24Å; M687-I692 HydrophobicContact CB-CG1 3.7Å; M687-I692 HydrophobicContact CE-CG1 4Å; M687-A723 HydrophobicContact CE-CB 3.61Å; M687-A723 HydrophobicContact SD-CB 3.63Å | ||
| 688 | S | 83.6 | Confident | 65.1 | Low | 64 Ų | 64 | 83.4 Ų | 83.4 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | trans | -63.2 | 152.6 | 175.2 | 69.1 | 0 | 0 | 0 | 0 | 109.9 | H686 E690 E691 I692 | H686-S688 PolarHBondContact O-N 2.74Å; S688-E690 PolarHBondContact O-N 2.86Å; S688-E691 PolarHBondContact O-N 2.77Å; S688-E691 PolarHBondContact OG-N 2.76Å; S688-I692 PolarHBondContact O-N 3.21Å | ||
| 689 | D | 82.7 | Confident | 68.1 | Low | 51 Ų | 51 | 73.5 Ų | 73.5 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.7 | -38.9 | 177.3 | -65 | -10.7 | 0 | 0 | 0 | 111.8 | E691 I692 I693 S908 I911 H933 | D689-E691 PolarHBondContact O-N 2.94Å; D689-I692 PolarHBondContact O-N 3.4Å; D689-I693 HydrophobicContact CB-CD1 4.5Å; D689-I693 WeakPolarHBondContact O-CB 3.43Å; D689-I693 VanDerWaalsContact O-CD1 3.32Å; D689-I693 WeakPolarHBondContact O-CD1 3.41Å; D689-I693 WeakPolarHBondContact O-CG1 3.49Å; D689-I693 PolarHBondContact O-N 3.26Å; D689-S908 VanDerWaalsContact OD2-CB 3.24Å; D689-S908 WeakPolarHBondContact OD2-CB 3.46Å; D689-S908 PolarHBondContact OD2-OG 3.18Å; D689-I911 HydrophobicContact CB-CD1 4.49Å; D689-H933 IonicContact OD1-CE1 3.64Å; D689-H933 PolarHBondContact OD1-CE1 2.93Å; D689-H933 VanDerWaalsContact OD1-CE1 3.3Å |
| 690 | E | 87.1 | Confident | 71.2 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.8 | -171.2 | 179.3 | -179.4 | 0 | 0 | 112.1 | S688 R694 I911 | S688-E690 PolarHBondContact O-N 2.86Å; E690-R694 WeakPolarHBondContact O-CB 3.24Å; E690-R694 WeakPolarHBondContact O-CG 3.32Å; E690-R694 PolarHBondContact O-N 3.3Å; E690-R694 IonicContact OE1-CZ 4Å; E690-R694 IonicContact OE1-NE 2.78Å; E690-R694 IonicContact OE1-NH1 3.41Å; E690-R694 PolarHBondContact OE1-NH1 3.43Å; E690-R694 IonicContact OE1-NH2 2.74Å; E690-R694 PolarHBondContact OE1-NH2 2.87Å; E690-I911 HydrophobicContact CB-CG2 3.89Å; E690-I911 HydrophobicContact CG-CG2 4.22Å |
| 691 | E | 88.4 | Confident | 74.2 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70 | -38 | 178.5 | -158.2 | -179.5 | 179.1 | 0 | 0 | 111.9 | M687 S688 D689 S695 | M687-E691 HydrophobicContact CE-CB 4.09Å; M687-E691 HydrophobicContact CE-CG 3.87Å; S688-E691 PolarHBondContact O-N 2.77Å; S688-E691 PolarHBondContact OG-N 2.76Å; D689-E691 PolarHBondContact O-N 2.94Å; E691-S695 VanDerWaalsContact O-CB 3.23Å; E691-S695 WeakPolarHBondContact O-CB 3.19Å; E691-S695 PolarHBondContact O-N 3.15Å; E691-S695 PolarHBondContact O-OG 2.8Å |
| 692 | I | 88.9 | Confident | 77.1 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -54.9 | 173.2 | -67.8 | 172.1 | 0 | 0 | 0 | 109.6 | M687 S688 D689 R694 S695 I696 C932 | M687-I692 HydrophobicContact CB-CD1 4.24Å; M687-I692 HydrophobicContact CB-CG1 3.7Å; M687-I692 HydrophobicContact CE-CG1 4Å; S688-I692 PolarHBondContact O-N 3.21Å; D689-I692 PolarHBondContact O-N 3.4Å; I692-R694 VanDerWaalsContact C-N 3.34Å; I692-R694 PolarHBondContact O-N 3.32Å; I692-S695 PolarHBondContact O-N 2.97Å; I692-I696 HydrophobicContact CG2-CG1 4.4Å; I692-I696 WeakPolarHBondContact O-CB 3.45Å; I692-I696 VanDerWaalsContact O-CG1 3.22Å; I692-I696 WeakPolarHBondContact O-CG1 3.44Å; I692-I696 PolarHBondContact O-N 3.06Å; I692-C932 HydrophobicContact CG2-CB 4.4Å |
| 693 | I | 89.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | -176.1 | -64.5 | 161 | 0 | 0 | 0 | 110.1 | D689 H697 I911 Y912 V915 L929 C932 | D689-I693 HydrophobicContact CB-CD1 4.5Å; D689-I693 WeakPolarHBondContact O-CB 3.43Å; D689-I693 VanDerWaalsContact O-CD1 3.32Å; D689-I693 WeakPolarHBondContact O-CD1 3.41Å; D689-I693 WeakPolarHBondContact O-CG1 3.49Å; D689-I693 PolarHBondContact O-N 3.26Å; I693-H697 PolarHBondContact O-N 2.95Å; I693-H697 PolarHBondContact O-ND1 2.89Å; I693-I911 HydrophobicContact CD1-CG2 3.97Å; I693-Y912 HydrophobicContact CD1-CD2 4.44Å; I693-Y912 HydrophobicContact CG2-CD2 4.24Å; I693-V915 HydrophobicContact CG2-CB 3.92Å; I693-V915 HydrophobicContact CG2-CG1 3.76Å; I693-V915 HydrophobicContact CG2-CG2 4.17Å; I693-L929 HydrophobicContact CD1-CD1 3.87Å; I693-L929 HydrophobicContact CG1-CD1 4.22Å; I693-C932 HydrophobicContact CG1-CB 4.3Å |
| 694 | R | 91.3 | Very high | 83.2 | Confident | 116 Ų | 116 | 48.8 Ų | 48.8 | 44% | 0.438 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.2 | -46 | 176.6 | -77 | -176.5 | 174.7 | 149.6 | 9.3 | 112.7 | E690 I692 I696 H697 A698 L724 V915 | E690-R694 WeakPolarHBondContact O-CB 3.24Å; E690-R694 WeakPolarHBondContact O-CG 3.32Å; E690-R694 PolarHBondContact O-N 3.3Å; E690-R694 IonicContact OE1-CZ 4Å; E690-R694 IonicContact OE1-NE 2.78Å; E690-R694 IonicContact OE1-NH1 3.41Å; E690-R694 PolarHBondContact OE1-NH1 3.43Å; E690-R694 IonicContact OE1-NH2 2.74Å; E690-R694 PolarHBondContact OE1-NH2 2.87Å; I692-R694 VanDerWaalsContact C-N 3.34Å; I692-R694 PolarHBondContact O-N 3.32Å; R694-I696 VanDerWaalsContact C-N 3.3Å; R694-I696 PolarHBondContact O-N 3.4Å; R694-H697 PolarHBondContact O-N 3.04Å; R694-A698 VanDerWaalsContact O-CB 3.32Å; R694-A698 WeakPolarHBondContact O-CB 3.31Å; R694-A698 PolarHBondContact O-N 2.82Å; R694-L724 HydrophobicContact CB-CD1 4.15Å; R694-V915 HydrophobicContact CG-CG1 4.43Å; R694-V915 HydrophobicContact CG-CG2 4.48Å |
| 695 | S | 91.9 | Very high | 85.6 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | -179.3 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | E691 I692 H697 A698 I699 A727 | E691-S695 VanDerWaalsContact O-CB 3.23Å; E691-S695 WeakPolarHBondContact O-CB 3.19Å; E691-S695 PolarHBondContact O-N 3.15Å; E691-S695 PolarHBondContact O-OG 2.8Å; I692-S695 PolarHBondContact O-N 2.97Å; S695-H697 PolarHBondContact O-N 3.37Å; S695-A698 PolarHBondContact O-N 2.94Å; S695-I699 PolarHBondContact O-N 2.96Å; S695-A727 WeakPolarHBondContact O-CB 3.42Å |
| 696 | I | 91.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -35 | 178 | -67.9 | -69.1 | 0 | 0 | 0 | 112.4 | I692 R694 I699 C773 R927 C932 | I692-I696 HydrophobicContact CG2-CG1 4.4Å; I692-I696 WeakPolarHBondContact O-CB 3.45Å; I692-I696 VanDerWaalsContact O-CG1 3.22Å; I692-I696 WeakPolarHBondContact O-CG1 3.44Å; I692-I696 PolarHBondContact O-N 3.06Å; R694-I696 VanDerWaalsContact C-N 3.3Å; R694-I696 PolarHBondContact O-N 3.4Å; I696-I699 WeakPolarHBondContact O-CG1 3.45Å; I696-C773 HydrophobicContact CD1-CB 3.43Å; I696-C773 VanDerWaalsContact CD1-CB 3.43Å; I696-R927 PolarHBondContact O-NH1 2.91Å; I696-C932 HydrophobicContact CB-CB 4.34Å; I696-C932 HydrophobicContact CG1-CB 4.22Å; I696-C932 WeakPolarHBondContact CG1-O 3.46Å; I696-C932 HydrophobicContact CG2-CB 4.28Å |
| 697 | H | 91.1 | Very high | 89.4 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -79.4 | -26.7 | 174.8 | -68.7 | 86.8 | 0 | 0 | 0 | 112 | I693 R694 S695 I699 D700 L919 I924 R927 | I693-H697 PolarHBondContact O-N 2.95Å; I693-H697 PolarHBondContact O-ND1 2.89Å; R694-H697 PolarHBondContact O-N 3.04Å; S695-H697 PolarHBondContact O-N 3.37Å; H697-I699 VanDerWaalsContact C-N 3.29Å; H697-I699 PolarHBondContact O-N 2.8Å; H697-D700 WeakPolarHBondContact O-CB 3.45Å; H697-D700 PolarHBondContact O-N 3.11Å; H697-L919 HydrophobicContact CB-CD1 3.58Å; H697-I924 HydrophobicContact CB-CG2 4.4Å; H697-R927 PolarHBondContact NE2-N 3.15Å |
| 698 | A | 92.8 | Very high | 90.4 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.2 | -16.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R694 S695 D700 L724 A727 Y728 A731 | R694-A698 VanDerWaalsContact O-CB 3.32Å; R694-A698 WeakPolarHBondContact O-CB 3.31Å; R694-A698 PolarHBondContact O-N 2.82Å; S695-A698 PolarHBondContact O-N 2.94Å; A698-D700 VanDerWaalsContact C-N 3.25Å; A698-D700 PolarHBondContact O-N 2.94Å; A698-L724 HydrophobicContact CB-CD1 3.8Å; A698-A727 HydrophobicContact CB-CB 3.86Å; A698-Y728 HydrophobicContact CB-CD1 3.96Å; A698-Y728 HydrophobicContact CB-CE1 3.67Å; A698-Y728 HydrophobicContact CB-CE2 4.28Å; A698-Y728 HydrophobicContact CB-CG 4.38Å; A698-A731 WeakPolarHBondContact O-CB 3.15Å |
| 699 | I | 93.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -7.9 | 173.9 | 74.2 | -177.2 | 0 | 0 | 0 | 113.3 | S695 I696 H697 R701 A727 I730 L777 V838 | S695-I699 PolarHBondContact O-N 2.96Å; I696-I699 WeakPolarHBondContact O-CG1 3.45Å; H697-I699 VanDerWaalsContact C-N 3.29Å; H697-I699 PolarHBondContact O-N 2.8Å; I699-R701 PolarHBondContact O-N 2.93Å; I699-A727 HydrophobicContact CG2-CB 3.68Å; I699-I730 HydrophobicContact CB-CG2 4.29Å; I699-I730 HydrophobicContact CG2-CG2 3.88Å; I699-L777 HydrophobicContact CB-CD2 3.97Å; I699-L777 HydrophobicContact CD1-CD2 4.27Å; I699-L777 HydrophobicContact CG1-CD2 4.39Å; I699-V838 HydrophobicContact CD1-CG2 3.95Å |
| 700 | D | 91 | Very high | 91.4 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 14% | 0.144 | 25% | 0.25 | C | C | . | . | trans | -69.9 | 126.5 | 176.3 | -165.8 | -16.6 | 0 | 0 | 0 | 109.7 | H697 A698 K702 P703 I924 N925 | H697-D700 WeakPolarHBondContact O-CB 3.45Å; H697-D700 PolarHBondContact O-N 3.11Å; A698-D700 VanDerWaalsContact C-N 3.25Å; A698-D700 PolarHBondContact O-N 2.94Å; D700-K702 WeakPolarHBondContact OD1-CB 3.18Å; D700-K702 WeakPolarHBondContact OD1-CG 3.46Å; D700-K702 PolarHBondContact OD1-N 2.65Å; D700-P703 WeakPolarHBondContact O-CD 3.26Å; D700-I924 HydrophobicContact CB-CG2 4.19Å; D700-N925 PolarHBondContact OD2-N 3.04Å | ||
| 701 | R | 92.4 | Very high | 91.7 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | trans | -84.2 | -14.4 | 179.9 | 73 | 179.7 | -178.9 | 113.1 | -11.5 | 113.4 | I699 P703 L704 Q705 E735 N738 | I699-R701 PolarHBondContact O-N 2.93Å; R701-P703 VanDerWaalsContact C-N 3.3Å; R701-L704 WeakPolarHBondContact O-CA 3.47Å; R701-L704 WeakPolarHBondContact O-CB 3.47Å; R701-L704 PolarHBondContact O-N 2.88Å; R701-Q705 PolarHBondContact O-N 3.43Å; R701-E735 HydrophobicContact CB-CB 4.43Å; R701-E735 WeakPolarHBondContact CD-OE2 3.47Å; R701-E735 IonicContact CZ-OE2 2.94Å; R701-E735 IonicContact NH1-OE2 3.89Å; R701-E735 PolarHBondContact NH1-OE2 3.43Å; R701-N738 PolarHBondContact NH1-ND2 2.71Å; R701-N738 VanDerWaalsContact NH2-CG 3.34Å; R701-N738 PolarHBondContact NH2-ND2 3.28Å; R701-N738 PolarHBondContact NH2-OD1 2.99Å | ||
| 702 | K | 90.7 | Very high | 92 | Very high | 75 Ų | 75 | 49.4 Ų | 49.4 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -48.9 | -43.8 | -178.3 | -81.2 | -176.2 | 172.2 | -174.5 | 0 | 113.7 | D700 L704 Q705 E923 N925 | D700-K702 WeakPolarHBondContact OD1-CB 3.18Å; D700-K702 WeakPolarHBondContact OD1-CG 3.46Å; D700-K702 PolarHBondContact OD1-N 2.65Å; K702-L704 PolarHBondContact O-N 2.85Å; K702-L704 VanDerWaalsContact O-N 3.15Å; K702-Q705 WeakPolarHBondContact O-CB 3.36Å; K702-Q705 PolarHBondContact O-N 3.34Å; K702-E923 WeakPolarHBondContact CD-O 3.28Å; K702-N925 PolarHBondContact NZ-OD1 3.08Å |
| 703 | P | 90 | Very high | 92.3 | Very high | 51 Ų | 51 | 50 Ų | 50 | 33% | 0.331 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -61.1 | -23.9 | 177.7 | -24.4 | 36 | 0 | 0 | 0 | 114.4 | D700 R701 I924 | D700-P703 WeakPolarHBondContact O-CD 3.26Å; R701-P703 VanDerWaalsContact C-N 3.3Å; P703-I924 HydrophobicContact CG-CG1 4.12Å |
| 704 | L | 92.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -88.7 | -15.1 | -176.4 | -56.2 | 171.6 | 0 | 0 | 0 | 113 | R701 K702 K706 L707 V712 A731 A732 E735 R739 | R701-L704 WeakPolarHBondContact O-CA 3.47Å; R701-L704 WeakPolarHBondContact O-CB 3.47Å; R701-L704 PolarHBondContact O-N 2.88Å; K702-L704 PolarHBondContact O-N 2.85Å; K702-L704 VanDerWaalsContact O-N 3.15Å; L704-K706 PolarHBondContact O-N 3.33Å; L704-K706 VanDerWaalsContact O-N 3.14Å; L704-L707 HydrophobicContact CD2-CD1 3.6Å; L704-L707 WeakPolarHBondContact O-CB 3.47Å; L704-L707 PolarHBondContact O-N 3.43Å; L704-V712 HydrophobicContact CB-CG2 4.5Å; L704-A731 VanDerWaalsContact CD1-C 3.44Å; L704-A731 HydrophobicContact CD1-CB 3.78Å; L704-A732 HydrophobicContact CD1-CB 4.18Å; L704-E735 HydrophobicContact CB-CB 4.42Å; L704-E735 HydrophobicContact CB-CG 4.24Å; L704-R739 PolarHBondContact O-NH2 2.91Å |
| 705 | Q | 91.8 | Very high | 92.6 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 47% | 0.467 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.1 | -178.3 | -69 | 179 | -8.5 | 0 | 0 | 112.8 | R701 K702 R739 | R701-Q705 PolarHBondContact O-N 3.43Å; K702-Q705 WeakPolarHBondContact O-CB 3.36Å; K702-Q705 PolarHBondContact O-N 3.34Å; Q705-R739 PolarHBondContact O-NH2 2.85Å |
| 706 | K | 89.7 | Confident | 92.6 | Very high | 162 Ų | 162 | 52.6 Ų | 52.6 | 70% | 0.704 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6.8 | 179.1 | -61.5 | 175.7 | -172.8 | 165.7 | 0 | 113.2 | L704 E923 | L704-K706 PolarHBondContact O-N 3.33Å; L704-K706 VanDerWaalsContact O-N 3.14Å; K706-E923 IonicContact NZ-OE2 2.97Å; K706-E923 PolarHBondContact NZ-OE2 3.27Å |
| 707 | L | 93.7 | Very high | 92.6 | Very high | 55 Ų | 55 | 55.9 Ų | 55.9 | 29% | 0.288 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -92.3 | 155.7 | -177 | -59.1 | -178.8 | 0 | 0 | 0 | 112.6 | L704 Q711 V712 R739 | L704-L707 HydrophobicContact CD2-CD1 3.6Å; L704-L707 WeakPolarHBondContact O-CB 3.47Å; L704-L707 PolarHBondContact O-N 3.43Å; L707-Q711 HydrophobicContact CB-CB 4.11Å; L707-Q711 HydrophobicContact CD1-CB 4.48Å; L707-V712 HydrophobicContact CB-CG2 4.12Å; L707-R739 PolarHBondContact O-NH1 3.35Å; L707-R739 PolarHBondContact O-NH2 3.05Å; L707-R739 VanDerWaalsContact O-NH2 3.08Å |
| 708 | T | 94.5 | Very high | 92.5 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | trans | -73.9 | 157.3 | 174.4 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | Q710 Q711 V712 | T708-Q710 PolarHBondContact O-N 3.21Å; T708-Q711 WeakPolarHBondContact O-CB 3.43Å; T708-Q711 PolarHBondContact O-N 3.05Å; T708-Q711 WeakPolarHBondContact OG1-CG 3.39Å; T708-Q711 PolarHBondContact OG1-N 3.07Å; T708-Q711 PolarHBondContact OG1-OE1 2.93Å; T708-V712 WeakPolarHBondContact O-CG2 3.22Å; T708-V712 PolarHBondContact O-N 2.73Å | ||
| 709 | D | 93.4 | Very high | 92.2 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.1 | -38 | 178.2 | -73.9 | -5.6 | 0 | 0 | 0 | 112.6 | Q711 V712 I713 R739 H740 | D709-Q711 PolarHBondContact O-N 3.35Å; D709-V712 PolarHBondContact O-N 2.8Å; D709-I713 WeakPolarHBondContact O-CB 3.37Å; D709-I713 VanDerWaalsContact O-CG1 3.24Å; D709-I713 WeakPolarHBondContact O-CG1 3.29Å; D709-I713 PolarHBondContact O-N 3.49Å; D709-R739 WeakPolarHBondContact OD1-CD 3.19Å; D709-R739 IonicContact OD1-CZ 3.65Å; D709-R739 IonicContact OD1-NE 3.59Å; D709-R739 IonicContact OD1-NH1 3.87Å; D709-R739 PolarHBondContact OD1-NH1 2.95Å; D709-H740 IonicContact OD1-NE2 2.73Å; D709-H740 IonicContact OD2-CD2 2.63Å; D709-H740 IonicContact OD2-CE1 2.73Å; D709-H740 PolarHBondContact OD2-CE1 3.18Å; D709-H740 VanDerWaalsContact OD2-CE1 3.28Å; D709-H740 IonicContact OD2-NE2 3.1Å; D709-H740 PolarHBondContact OD2-NE2 3.47Å |
| 710 | Q | 92.2 | Very high | 91.8 | Very high | 132 Ų | 132 | 67.2 Ų | 67.2 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.1 | -46.8 | 175.9 | -165.9 | 85.8 | 12.2 | 0 | 0 | 111.4 | T708 V712 I713 E714 | T708-Q710 PolarHBondContact O-N 3.21Å; Q710-V712 VanDerWaalsContact C-N 3.35Å; Q710-V712 PolarHBondContact O-N 3.42Å; Q710-I713 PolarHBondContact O-N 2.8Å; Q710-E714 WeakPolarHBondContact O-CG 3.34Å; Q710-E714 PolarHBondContact O-N 3.49Å |
| 711 | Q | 94.6 | Very high | 91.6 | Very high | 84 Ų | 84 | 69.3 Ų | 69.3 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 179.5 | -68.3 | 173.8 | -50.2 | 0 | 0 | 111.7 | L707 T708 D709 Q715 | L707-Q711 HydrophobicContact CB-CB 4.11Å; L707-Q711 HydrophobicContact CD1-CB 4.48Å; T708-Q711 WeakPolarHBondContact O-CB 3.43Å; T708-Q711 PolarHBondContact O-N 3.05Å; T708-Q711 WeakPolarHBondContact OG1-CG 3.39Å; T708-Q711 PolarHBondContact OG1-N 3.07Å; T708-Q711 PolarHBondContact OG1-OE1 2.93Å; D709-Q711 PolarHBondContact O-N 3.35Å; Q711-Q715 PolarHBondContact O-N 3.02Å; Q711-Q715 VanDerWaalsContact O-N 3.15Å |
| 712 | V | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | L704 L707 T708 D709 Q710 Q715 A716 A732 E735 L736 | L704-V712 HydrophobicContact CB-CG2 4.5Å; L707-V712 HydrophobicContact CB-CG2 4.12Å; T708-V712 WeakPolarHBondContact O-CG2 3.22Å; T708-V712 PolarHBondContact O-N 2.73Å; D709-V712 PolarHBondContact O-N 2.8Å; Q710-V712 VanDerWaalsContact C-N 3.35Å; Q710-V712 PolarHBondContact O-N 3.42Å; V712-Q715 PolarHBondContact O-N 2.98Å; V712-A716 PolarHBondContact O-N 3.34Å; V712-A732 HydrophobicContact CG1-CB 3.84Å; V712-A732 VanDerWaalsContact CG1-O 3.25Å; V712-A732 WeakPolarHBondContact CG1-O 3.46Å; V712-A732 WeakPolarHBondContact O-CB 3.27Å; V712-E735 HydrophobicContact CG1-CB 4.14Å; V712-E735 HydrophobicContact CG1-CG 4.32Å; V712-E735 HydrophobicContact CG2-CG 4.38Å; V712-L736 HydrophobicContact CB-CD2 4.43Å; V712-L736 HydrophobicContact CG1-CD1 4.28Å; V712-L736 HydrophobicContact CG1-CD2 4.13Å; V712-L736 HydrophobicContact CG1-CG 3.74Å |
| 713 | I | 94.2 | Very high | 91.3 | Very high | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 175.8 | -71 | 163.4 | 0 | 0 | 0 | 110.8 | D709 Q710 Q715 A716 I717 L736 F746 | D709-I713 WeakPolarHBondContact O-CB 3.37Å; D709-I713 VanDerWaalsContact O-CG1 3.24Å; D709-I713 WeakPolarHBondContact O-CG1 3.29Å; D709-I713 PolarHBondContact O-N 3.49Å; Q710-I713 PolarHBondContact O-N 2.8Å; I713-Q715 PolarHBondContact O-N 3.13Å; I713-A716 WeakPolarHBondContact O-CB 3.33Å; I713-A716 PolarHBondContact O-N 2.79Å; I713-A716 VanDerWaalsContact O-N 3.07Å; I713-I717 HydrophobicContact CG2-CD1 4.38Å; I713-I717 WeakPolarHBondContact O-CG1 3.47Å; I713-I717 PolarHBondContact O-N 2.68Å; I713-I717 VanDerWaalsContact O-N 3.1Å; I713-L736 HydrophobicContact CG1-CD1 3.93Å; I713-L736 HydrophobicContact CG1-CD2 4.01Å; I713-F746 HydrophobicContact CD1-CB 3.87Å; I713-F746 HydrophobicContact CD1-CD2 4.41Å; I713-F746 HydrophobicContact CD1-CG 4.22Å; I713-F746 HydrophobicContact CG1-CB 4.45Å; I713-F746 HydrophobicContact CG1-CD2 4.21Å; I713-F746 HydrophobicContact CG1-CG 4.26Å; I713-F746 HydrophobicContact CG2-CD2 3.69Å; I713-F746 HydrophobicContact CG2-CE2 4.01Å |
| 714 | E | 93.1 | Very high | 91.4 | Very high | 118 Ų | 118 | 67.1 Ų | 67.1 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -55.2 | -40 | 175.7 | -77.5 | 173.9 | -169.4 | 0 | 0 | 111.8 | Q710 K718 | Q710-E714 WeakPolarHBondContact O-CG 3.34Å; Q710-E714 PolarHBondContact O-N 3.49Å; E714-K718 PolarHBondContact O-N 3.15Å |
| 715 | Q | 93.3 | Very high | 91.5 | Very high | 51 Ų | 51 | 68.6 Ų | 68.6 | 24% | 0.238 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.2 | -34.5 | 177 | -169.2 | 153.3 | -5.1 | 0 | 0 | 113.1 | Q711 V712 I713 I717 R729 A732 | Q711-Q715 PolarHBondContact O-N 3.02Å; Q711-Q715 VanDerWaalsContact O-N 3.15Å; V712-Q715 PolarHBondContact O-N 2.98Å; I713-Q715 PolarHBondContact O-N 3.13Å; Q715-I717 VanDerWaalsContact C-N 3.35Å; Q715-I717 PolarHBondContact O-N 3.41Å; Q715-R729 WeakPolarHBondContact O-CG 3.09Å; Q715-A732 HydrophobicContact CB-CB 4.03Å; Q715-A732 HydrophobicContact CG-CB 4.17Å |
| 716 | A | 92.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | V712 I713 R729 A732 L733 L736 | V712-A716 PolarHBondContact O-N 3.34Å; I713-A716 WeakPolarHBondContact O-CB 3.33Å; I713-A716 PolarHBondContact O-N 2.79Å; I713-A716 VanDerWaalsContact O-N 3.07Å; A716-R729 WeakPolarHBondContact O-CG 3.48Å; A716-R729 PolarHBondContact O-NE 3Å; A716-A732 HydrophobicContact CB-CB 3.88Å; A716-L733 HydrophobicContact CB-CD2 3.9Å; A716-L733 HydrophobicContact CB-CG 4.03Å; A716-L736 HydrophobicContact CB-CD1 4.28Å |
| 717 | I | 91.5 | Very high | 92 | Very high | 70 Ų | 70 | 56.1 Ų | 56.1 | 36% | 0.359 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -96.1 | -3.6 | -177.7 | 69.4 | -174 | 0 | 0 | 0 | 113.9 | I713 Q715 F746 T748 L753 | I713-I717 HydrophobicContact CG2-CD1 4.38Å; I713-I717 WeakPolarHBondContact O-CG1 3.47Å; I713-I717 PolarHBondContact O-N 2.68Å; I713-I717 VanDerWaalsContact O-N 3.1Å; Q715-I717 VanDerWaalsContact C-N 3.35Å; Q715-I717 PolarHBondContact O-N 3.41Å; I717-F746 HydrophobicContact CG2-CE2 4.02Å; I717-T748 HydrophobicContact CD1-CG2 3.64Å; I717-T748 HydrophobicContact CG2-CG2 4.04Å; I717-L753 HydrophobicContact CG2-CD1 4.27Å |
| 718 | K | 89.6 | Confident | 92.1 | Very high | 121 Ų | 121 | 58.2 Ų | 58.2 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | trans | -53 | 129.1 | -176.8 | -165.5 | 174.3 | -175.9 | 176.8 | 0 | 111 | E714 R729 | E714-K718 PolarHBondContact O-N 3.15Å; K718-R729 VanDerWaalsContact O-CD 3.29Å; K718-R729 WeakPolarHBondContact O-CD 3.31Å | ||
| 719 | P | 85 | Confident | 92.2 | Very high | 114 Ų | 114 | 56 Ų | 56 | 74% | 0.74 | 29% | 0.285 | S | S | * | . | trans | -68.4 | 146 | -178.3 | 26.9 | -33.6 | 0 | 0 | 0 | 111.3 | ||||
| 720 | G | 86.6 | Confident | 92.3 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | trans | 138.5 | 131 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R729 | G720-R729 PolarHBondContact O-NH1 2.91Š| ||
| 721 | D | 85.2 | Confident | 92.5 | Very high | 71 Ų | 71 | 47.1 Ų | 47.1 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | trans | -111.8 | 6.2 | -178.3 | -66.1 | -25.3 | 0 | 0 | 0 | 112.6 | L726 Q769 | D721-L726 WeakPolarHBondContact O-CD1 3.47Å; D721-Q769 HydrophobicContact CB-CG 4.28Å; D721-Q769 WeakPolarHBondContact O-CG 3.39Å | ||
| 722 | N | 89.7 | Confident | 92.6 | Very high | 79 Ų | 79 | 43.1 Ų | 43.1 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -71.6 | 156.9 | 170.4 | 69.9 | 32.8 | 0 | 0 | 0 | 111.1 | L724 N725 L726 | N722-L724 VanDerWaalsContact C-N 3.29Å; N722-L724 PolarHBondContact O-N 3.25Å; N722-N725 PolarHBondContact ND2-ND2 3.49Å; N722-N725 PolarHBondContact O-N 2.94Å; N722-N725 WeakPolarHBondContact OD1-CB 3.31Å; N722-N725 PolarHBondContact OD1-N 3.41Å; N722-N725 PolarHBondContact OD1-ND2 2.91Å; N722-N725 VanDerWaalsContact OD1-ND2 3.16Å; N722-L726 VanDerWaalsContact O-CG 3.31Å; N722-L726 WeakPolarHBondContact O-CG 3.21Å; N722-L726 PolarHBondContact O-N 3.47Å |
| 723 | A | 88.4 | Confident | 92.7 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -40.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M687 L726 A727 A771 | M687-A723 HydrophobicContact CE-CB 3.61Å; M687-A723 HydrophobicContact SD-CB 3.63Å; A723-L726 PolarHBondContact O-N 3.31Å; A723-A727 WeakPolarHBondContact O-CB 3.38Å; A723-A727 PolarHBondContact O-N 3.39Å; A723-A771 HydrophobicContact CB-CB 4.13Å |
| 724 | L | 92.6 | Very high | 92.8 | Very high | 43 Ų | 43 | 43 Ų | 43 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.4 | -43.4 | -179.6 | -175.8 | 63 | 0 | 0 | 0 | 112.7 | R694 A698 N722 A727 Y728 | R694-L724 HydrophobicContact CB-CD1 4.15Å; A698-L724 HydrophobicContact CB-CD1 3.8Å; N722-L724 VanDerWaalsContact C-N 3.29Å; N722-L724 PolarHBondContact O-N 3.25Å; L724-A727 WeakPolarHBondContact O-CB 3.47Å; L724-A727 PolarHBondContact O-N 3.21Å; L724-Y728 HydrophobicContact CD1-CD2 4.37Å; L724-Y728 HydrophobicContact CD1-CE2 3.76Å; L724-Y728 HydrophobicContact CD2-CE2 4.25Å; L724-Y728 HydrophobicContact CG-CD2 4.17Å; L724-Y728 HydrophobicContact CG-CE2 3.7Å; L724-Y728 WeakPolarHBondContact O-CD2 3.4Å; L724-Y728 PolarHBondContact O-N 3.11Å; L724-Y728 VanDerWaalsContact O-N 3.08Å |
| 725 | N | 94 | Very high | 92.9 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 176.7 | -74.9 | -30.8 | 0 | 0 | 0 | 111.2 | N722 A727 Y728 R729 | N722-N725 PolarHBondContact ND2-ND2 3.49Å; N722-N725 PolarHBondContact O-N 2.94Å; N722-N725 WeakPolarHBondContact OD1-CB 3.31Å; N722-N725 PolarHBondContact OD1-N 3.41Å; N722-N725 PolarHBondContact OD1-ND2 2.91Å; N722-N725 VanDerWaalsContact OD1-ND2 3.16Å; N725-A727 VanDerWaalsContact C-N 3.28Å; N725-A727 PolarHBondContact O-N 3.36Å; N725-Y728 PolarHBondContact O-N 2.7Å; N725-R729 VanDerWaalsContact O-CG 3.23Å; N725-R729 WeakPolarHBondContact O-CG 3.48Å; N725-R729 PolarHBondContact O-N 3.29Å |
| 726 | L | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 173.3 | -65.2 | 174 | 0 | 0 | 0 | 111.5 | D721 N722 A723 R729 I730 L762 A766 Q769 A771 V774 | D721-L726 WeakPolarHBondContact O-CD1 3.47Å; N722-L726 VanDerWaalsContact O-CG 3.31Å; N722-L726 WeakPolarHBondContact O-CG 3.21Å; N722-L726 PolarHBondContact O-N 3.47Å; A723-L726 PolarHBondContact O-N 3.31Å; L726-R729 PolarHBondContact O-N 3.39Å; L726-I730 PolarHBondContact O-N 2.98Å; L726-L762 HydrophobicContact CD2-CD1 3.53Å; L726-A766 HydrophobicContact CD1-CB 4.22Å; L726-Q769 HydrophobicContact CD1-CB 4.23Å; L726-Q769 HydrophobicContact CD1-CG 4.45Å; L726-A771 HydrophobicContact CD1-CB 3.97Å; L726-V774 HydrophobicContact CB-CG1 4.32Å; L726-V774 HydrophobicContact CB-CG2 4.13Å |
| 727 | A | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S695 A698 I699 A723 L724 N725 R729 I730 A731 V774 | S695-A727 WeakPolarHBondContact O-CB 3.42Å; A698-A727 HydrophobicContact CB-CB 3.86Å; I699-A727 HydrophobicContact CG2-CB 3.68Å; A723-A727 WeakPolarHBondContact O-CB 3.38Å; A723-A727 PolarHBondContact O-N 3.39Å; L724-A727 WeakPolarHBondContact O-CB 3.47Å; L724-A727 PolarHBondContact O-N 3.21Å; N725-A727 VanDerWaalsContact C-N 3.28Å; N725-A727 PolarHBondContact O-N 3.36Å; A727-R729 VanDerWaalsContact C-N 3.34Å; A727-R729 PolarHBondContact O-N 2.84Å; A727-I730 WeakPolarHBondContact O-CG2 3.37Å; A727-I730 PolarHBondContact O-N 3.47Å; A727-A731 PolarHBondContact O-N 3.37Å; A727-A731 VanDerWaalsContact O-N 3.13Å; A727-V774 HydrophobicContact CB-CG2 4.22Å |
| 728 | Y | 95.8 | Very high | 93.3 | Very high | 99 Ų | 99 | 37.4 Ų | 37.4 | 39% | 0.388 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.3 | -37.5 | 174.4 | -75.9 | -55.2 | 0 | 0 | 0 | 113.1 | A698 L724 N725 A731 A732 | A698-Y728 HydrophobicContact CB-CD1 3.96Å; A698-Y728 HydrophobicContact CB-CE1 3.67Å; A698-Y728 HydrophobicContact CB-CE2 4.28Å; A698-Y728 HydrophobicContact CB-CG 4.38Å; L724-Y728 HydrophobicContact CD1-CD2 4.37Å; L724-Y728 HydrophobicContact CD1-CE2 3.76Å; L724-Y728 HydrophobicContact CD2-CE2 4.25Å; L724-Y728 HydrophobicContact CG-CD2 4.17Å; L724-Y728 HydrophobicContact CG-CE2 3.7Å; L724-Y728 WeakPolarHBondContact O-CD2 3.4Å; L724-Y728 PolarHBondContact O-N 3.11Å; L724-Y728 VanDerWaalsContact O-N 3.08Å; N725-Y728 PolarHBondContact O-N 2.7Å; Y728-A731 PolarHBondContact O-N 2.83Å; Y728-A732 PolarHBondContact O-N 2.87Å; Y728-A732 VanDerWaalsContact O-N 3.12Å |
| 729 | R | 96.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 13% | 0.125 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | 179.1 | -70 | 169.6 | 71.1 | -167.1 | -6.2 | 112 | Q715 A716 K718 G720 N725 L726 A727 A732 L733 L762 | Q715-R729 WeakPolarHBondContact O-CG 3.09Å; A716-R729 WeakPolarHBondContact O-CG 3.48Å; A716-R729 PolarHBondContact O-NE 3Å; K718-R729 VanDerWaalsContact O-CD 3.29Å; K718-R729 WeakPolarHBondContact O-CD 3.31Å; G720-R729 PolarHBondContact O-NH1 2.91Å; N725-R729 VanDerWaalsContact O-CG 3.23Å; N725-R729 WeakPolarHBondContact O-CG 3.48Å; N725-R729 PolarHBondContact O-N 3.29Å; L726-R729 PolarHBondContact O-N 3.39Å; A727-R729 VanDerWaalsContact C-N 3.34Å; A727-R729 PolarHBondContact O-N 2.84Å; R729-A732 PolarHBondContact O-N 2.84Å; R729-L733 WeakPolarHBondContact O-CG 3.34Å; R729-L733 PolarHBondContact O-N 2.87Å; R729-L762 HydrophobicContact CB-CD1 4.15Å; R729-L762 HydrophobicContact CB-CD2 4.22Å |
| 730 | I | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.3 | -35.9 | 176.4 | -169.1 | 58.9 | 0 | 0 | 0 | 111.7 | I699 L726 A727 A732 L733 H734 L759 L762 V774 L777 S778 L781 | I699-I730 HydrophobicContact CB-CG2 4.29Å; I699-I730 HydrophobicContact CG2-CG2 3.88Å; L726-I730 PolarHBondContact O-N 2.98Å; A727-I730 WeakPolarHBondContact O-CG2 3.37Å; A727-I730 PolarHBondContact O-N 3.47Å; I730-A732 VanDerWaalsContact C-N 3.3Å; I730-A732 PolarHBondContact O-N 2.85Å; I730-L733 PolarHBondContact O-N 2.94Å; I730-H734 WeakPolarHBondContact O-CB 3.44Å; I730-H734 PolarHBondContact O-N 3.45Å; I730-L759 HydrophobicContact CD1-CD2 3.3Å; I730-L762 HydrophobicContact CB-CD2 3.75Å; I730-L762 HydrophobicContact CD1-CD2 4.02Å; I730-L762 HydrophobicContact CG1-CD2 4.42Å; I730-V774 HydrophobicContact CB-CG1 3.9Å; I730-V774 HydrophobicContact CG1-CG1 4.35Å; I730-V774 HydrophobicContact CG2-CB 4.39Å; I730-V774 HydrophobicContact CG2-CG1 3.93Å; I730-V774 HydrophobicContact CG2-CG2 4.06Å; I730-L777 HydrophobicContact CG1-CB 4.18Å; I730-L777 HydrophobicContact CG1-CD2 3.7Å; I730-L777 HydrophobicContact CG1-CG 3.81Å; I730-L777 HydrophobicContact CG2-CD2 4.05Å; I730-S778 VanDerWaalsContact CD1-OG 3.32Å; I730-S778 WeakPolarHBondContact CD1-OG 3.49Å; I730-L781 HydrophobicContact CD1-CD1 3.78Å; I730-L781 HydrophobicContact CG1-CD1 4.33Å |
| 731 | A | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A698 L704 A727 Y728 H734 E735 | A698-A731 WeakPolarHBondContact O-CB 3.15Å; L704-A731 VanDerWaalsContact CD1-C 3.44Å; L704-A731 HydrophobicContact CD1-CB 3.78Å; A727-A731 PolarHBondContact O-N 3.37Å; A727-A731 VanDerWaalsContact O-N 3.13Å; Y728-A731 PolarHBondContact O-N 2.83Å; A731-H734 PolarHBondContact O-N 3.23Å; A731-E735 PolarHBondContact O-N 2.62Å |
| 732 | A | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | L704 V712 Q715 A716 Y728 R729 I730 H734 E735 L736 | L704-A732 HydrophobicContact CD1-CB 4.18Å; V712-A732 HydrophobicContact CG1-CB 3.84Å; V712-A732 VanDerWaalsContact CG1-O 3.25Å; V712-A732 WeakPolarHBondContact CG1-O 3.46Å; V712-A732 WeakPolarHBondContact O-CB 3.27Å; Q715-A732 HydrophobicContact CB-CB 4.03Å; Q715-A732 HydrophobicContact CG-CB 4.17Å; A716-A732 HydrophobicContact CB-CB 3.88Å; Y728-A732 PolarHBondContact O-N 2.87Å; Y728-A732 VanDerWaalsContact O-N 3.12Å; R729-A732 PolarHBondContact O-N 2.84Å; I730-A732 VanDerWaalsContact C-N 3.3Å; I730-A732 PolarHBondContact O-N 2.85Å; A732-H734 VanDerWaalsContact C-N 3.31Å; A732-H734 PolarHBondContact O-N 3Å; A732-E735 PolarHBondContact O-N 2.87Å; A732-L736 PolarHBondContact O-N 2.75Å |
| 733 | L | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.9 | -35.7 | 175.3 | -71.7 | 172.7 | 0 | 0 | 0 | 112.3 | A716 R729 I730 E735 L736 L737 C758 L759 L762 | A716-L733 HydrophobicContact CB-CD2 3.9Å; A716-L733 HydrophobicContact CB-CG 4.03Å; R729-L733 WeakPolarHBondContact O-CG 3.34Å; R729-L733 PolarHBondContact O-N 2.87Å; I730-L733 PolarHBondContact O-N 2.94Å; L733-E735 VanDerWaalsContact C-N 3.35Å; L733-L736 HydrophobicContact CD2-CD1 4.47Å; L733-L736 PolarHBondContact O-N 3.02Å; L733-L737 VanDerWaalsContact O-CB 3.31Å; L733-L737 WeakPolarHBondContact O-CB 2.98Å; L733-L737 PolarHBondContact O-N 3.35Å; L733-C758 HydrophobicContact CD1-CB 4.02Å; L733-C758 HydrophobicContact CD2-CB 3.75Å; L733-L759 HydrophobicContact CB-CD2 3.83Å; L733-L759 HydrophobicContact CB-CG 4.32Å; L733-L759 HydrophobicContact CD1-CD2 4.01Å; L733-L759 HydrophobicContact CD1-CG 4.31Å; L733-L762 HydrophobicContact CD1-CB 4.48Å; L733-L762 HydrophobicContact CD1-CD2 3.99Å |
| 734 | H | 96.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 173.9 | -172.8 | -178.1 | 0 | 0 | 0 | 110.9 | I730 A731 A732 L737 N738 L781 | I730-H734 WeakPolarHBondContact O-CB 3.44Å; I730-H734 PolarHBondContact O-N 3.45Å; A731-H734 PolarHBondContact O-N 3.23Å; A732-H734 VanDerWaalsContact C-N 3.31Å; A732-H734 PolarHBondContact O-N 3Å; H734-L737 PolarHBondContact O-N 2.96Å; H734-N738 WeakPolarHBondContact O-CB 3.25Å; H734-N738 PolarHBondContact O-N 3.09Å; H734-L781 HydrophobicContact CB-CD1 3.77Å; H734-L781 HydrophobicContact CB-CD2 4.47Å; H734-L781 WeakPolarHBondContact CD2-CD2 3.42Å |
| 735 | E | 96.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.6 | -175.9 | 58.6 | -164.1 | 0 | 0 | 112.1 | R701 L704 V712 A731 A732 L733 L737 N738 R739 | R701-E735 HydrophobicContact CB-CB 4.43Å; R701-E735 WeakPolarHBondContact CD-OE2 3.47Å; R701-E735 IonicContact CZ-OE2 2.94Å; R701-E735 IonicContact NH1-OE2 3.89Å; R701-E735 PolarHBondContact NH1-OE2 3.43Å; L704-E735 HydrophobicContact CB-CB 4.42Å; L704-E735 HydrophobicContact CB-CG 4.24Å; V712-E735 HydrophobicContact CG1-CB 4.14Å; V712-E735 HydrophobicContact CG1-CG 4.32Å; V712-E735 HydrophobicContact CG2-CG 4.38Å; A731-E735 PolarHBondContact O-N 2.62Å; A732-E735 PolarHBondContact O-N 2.87Å; L733-E735 VanDerWaalsContact C-N 3.35Å; E735-L737 PolarHBondContact O-N 2.64Å; E735-N738 PolarHBondContact O-N 3.4Å; E735-R739 WeakPolarHBondContact O-CG 3.34Å; E735-R739 PolarHBondContact O-N 3.2Å; E735-R739 IonicContact OE1-CZ 3.13Å; E735-R739 IonicContact OE1-NE 2.83Å; E735-R739 PolarHBondContact OE1-NE 2.87Å; E735-R739 IonicContact OE1-NH2 2.72Å; E735-R739 PolarHBondContact OE1-NH2 2.87Å |
| 736 | L | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 174.9 | -72.1 | 169.8 | 0 | 0 | 0 | 112.4 | V712 I713 A716 A732 L733 N738 R739 H740 F746 V755 | V712-L736 HydrophobicContact CB-CD2 4.43Å; V712-L736 HydrophobicContact CG1-CD1 4.28Å; V712-L736 HydrophobicContact CG1-CD2 4.13Å; V712-L736 HydrophobicContact CG1-CG 3.74Å; I713-L736 HydrophobicContact CG1-CD1 3.93Å; I713-L736 HydrophobicContact CG1-CD2 4.01Å; A716-L736 HydrophobicContact CB-CD1 4.28Å; A732-L736 PolarHBondContact O-N 2.75Å; L733-L736 HydrophobicContact CD2-CD1 4.47Å; L733-L736 PolarHBondContact O-N 3.02Å; L736-N738 VanDerWaalsContact C-N 3.28Å; L736-N738 PolarHBondContact O-N 3.16Å; L736-R739 PolarHBondContact O-N 3.4Å; L736-H740 PolarHBondContact O-N 3.13Å; L736-F746 HydrophobicContact CD1-CE1 4.41Å; L736-V755 HydrophobicContact CB-CG2 4.24Å |
| 737 | L | 95.6 | Very high | 94.9 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 15% | 0.147 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 174.7 | 176.6 | 148.3 | 0 | 0 | 0 | 111.3 | L733 H734 E735 R739 G741 L742 V755 L759 L781 | L733-L737 VanDerWaalsContact O-CB 3.31Å; L733-L737 WeakPolarHBondContact O-CB 2.98Å; L733-L737 PolarHBondContact O-N 3.35Å; H734-L737 PolarHBondContact O-N 2.96Å; E735-L737 PolarHBondContact O-N 2.64Å; L737-R739 VanDerWaalsContact C-N 3.35Å; L737-G741 VanDerWaalsContact O-CA 3.26Å; L737-G741 WeakPolarHBondContact O-CA 3.13Å; L737-G741 PolarHBondContact O-N 3.27Å; L737-L742 HydrophobicContact CD1-CD1 4.25Å; L737-L742 HydrophobicContact CD1-CD2 3.84Å; L737-L742 HydrophobicContact CD1-CG 3.6Å; L737-L742 HydrophobicContact CG-CG 4.36Å; L737-V755 HydrophobicContact CB-CG1 4.19Å; L737-L759 HydrophobicContact CD1-CD1 3.85Å; L737-L781 HydrophobicContact CD1-CB 4.21Å; L737-L781 HydrophobicContact CD2-CD2 4.34Å |
| 738 | N | 94.6 | Very high | 94.2 | Very high | 90 Ų | 90 | 39.5 Ų | 39.5 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.9 | -29.1 | 178.7 | -171.5 | 81 | 0 | 0 | 0 | 113 | R701 H734 E735 L736 | R701-N738 PolarHBondContact NH1-ND2 2.71Å; R701-N738 VanDerWaalsContact NH2-CG 3.34Å; R701-N738 PolarHBondContact NH2-ND2 3.28Å; R701-N738 PolarHBondContact NH2-OD1 2.99Å; H734-N738 WeakPolarHBondContact O-CB 3.25Å; H734-N738 PolarHBondContact O-N 3.09Å; E735-N738 PolarHBondContact O-N 3.4Å; L736-N738 VanDerWaalsContact C-N 3.28Å; L736-N738 PolarHBondContact O-N 3.16Å |
| 739 | R | 95.8 | Very high | 93.4 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -80.4 | -42.3 | 177.7 | -69.5 | 179.5 | -170.6 | -166 | 1.5 | 113 | L704 Q705 L707 D709 E735 L736 L737 | L704-R739 PolarHBondContact O-NH2 2.91Å; Q705-R739 PolarHBondContact O-NH2 2.85Å; L707-R739 PolarHBondContact O-NH1 3.35Å; L707-R739 PolarHBondContact O-NH2 3.05Å; L707-R739 VanDerWaalsContact O-NH2 3.08Å; D709-R739 WeakPolarHBondContact OD1-CD 3.19Å; D709-R739 IonicContact OD1-CZ 3.65Å; D709-R739 IonicContact OD1-NE 3.59Å; D709-R739 IonicContact OD1-NH1 3.87Å; D709-R739 PolarHBondContact OD1-NH1 2.95Å; E735-R739 WeakPolarHBondContact O-CG 3.34Å; E735-R739 PolarHBondContact O-N 3.2Å; E735-R739 IonicContact OE1-CZ 3.13Å; E735-R739 IonicContact OE1-NE 2.83Å; E735-R739 PolarHBondContact OE1-NE 2.87Å; E735-R739 IonicContact OE1-NH2 2.72Å; E735-R739 PolarHBondContact OE1-NH2 2.87Å; L736-R739 PolarHBondContact O-N 3.4Å; L737-R739 VanDerWaalsContact C-N 3.35Å |
| 740 | H | 96.1 | Very high | 92.4 | Very high | 81 Ų | 81 | 49.4 Ų | 49.4 | 38% | 0.375 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -128.5 | -13.8 | -164.9 | -57.8 | -64.2 | 0 | 0 | 0 | 115.4 | D709 L736 H744 | D709-H740 IonicContact OD1-NE2 2.73Å; D709-H740 IonicContact OD2-CD2 2.63Å; D709-H740 IonicContact OD2-CE1 2.73Å; D709-H740 PolarHBondContact OD2-CE1 3.18Å; D709-H740 VanDerWaalsContact OD2-CE1 3.28Å; D709-H740 IonicContact OD2-NE2 3.1Å; D709-H740 PolarHBondContact OD2-NE2 3.47Å; L736-H740 PolarHBondContact O-N 3.13Å; H740-H744 HydrophobicContact CB-CB 3.56Å; H740-H744 AromaticContact CD2-NE2 3.92Å; H740-H744 AromaticContact CG-CE1 3.95Å; H740-H744 AromaticContact CG-CG 3.97Å; H740-H744 AromaticContact CG-ND1 3.87Å |
| 741 | G | 94.8 | Very high | 91.8 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | trans | 92.5 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L737 D743 | L737-G741 VanDerWaalsContact O-CA 3.26Å; L737-G741 WeakPolarHBondContact O-CA 3.13Å; L737-G741 PolarHBondContact O-N 3.27Å; G741-D743 PolarHBondContact O-N 2.93Å | ||
| 742 | L | 92.1 | Very high | 91.6 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 18% | 0.183 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -32.7 | -173.7 | -96.7 | 153.7 | 0 | 0 | 0 | 114.4 | L737 H744 V755 R756 L759 L782 | L737-L742 HydrophobicContact CD1-CD1 4.25Å; L737-L742 HydrophobicContact CD1-CD2 3.84Å; L737-L742 HydrophobicContact CD1-CG 3.6Å; L737-L742 HydrophobicContact CG-CG 4.36Å; L742-H744 VanDerWaalsContact C-N 3.34Å; L742-V755 WeakPolarHBondContact O-CB 3.45Å; L742-R756 HydrophobicContact CD2-CB 4.04Å; L742-R756 HydrophobicContact CD2-CG 4.37Å; L742-R756 WeakPolarHBondContact O-CB 3.38Å; L742-R756 PolarHBondContact O-N 3.08Å; L742-L759 HydrophobicContact CD2-CD1 3.93Å; L742-L782 HydrophobicContact CD2-CD2 4.01Å |
| 743 | D | 95.1 | Very high | 91.4 | Very high | 112 Ų | 112 | 64.1 Ų | 64.1 | 60% | 0.599 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 11.3 | -173.8 | -53.8 | -45.5 | 0 | 0 | 0 | 112 | G741 G745 R756 | G741-D743 PolarHBondContact O-N 2.93Å; D743-G745 PolarHBondContact O-N 3.19Å; D743-R756 IonicContact OD1-CZ 3.71Å; D743-R756 VanDerWaalsContact OD1-CZ 3.29Å; D743-R756 IonicContact OD1-NE 3.94Å; D743-R756 PolarHBondContact OD1-NE 2.99Å; D743-R756 IonicContact OD1-NH2 3.9Å; D743-R756 PolarHBondContact OD1-NH2 3.48Å; D743-R756 IonicContact OD2-NH2 3.94Å; D743-R756 PolarHBondContact OD2-NH2 3.43Å |
| 744 | H | 94.8 | Very high | 91.4 | Very high | 56 Ų | 56 | 66.5 Ų | 66.5 | 26% | 0.259 | 35% | 0.348 | S | S | . | . | trans | -65.7 | 130.4 | 172.8 | -179.9 | 72.7 | 0 | 0 | 0 | 110.6 | H740 L742 I754 V755 | H740-H744 HydrophobicContact CB-CB 3.56Å; H740-H744 AromaticContact CD2-NE2 3.92Å; H740-H744 AromaticContact CG-CE1 3.95Å; H740-H744 AromaticContact CG-CG 3.97Å; H740-H744 AromaticContact CG-ND1 3.87Å; L742-H744 VanDerWaalsContact C-N 3.34Å; H744-I754 WeakPolarHBondContact O-CA 3.39Å; H744-V755 HydrophobicContact CB-CG2 4.25Å; H744-V755 PolarHBondContact O-N 2.9Å | ||
| 745 | G | 92.7 | Very high | 91.3 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | D743 L753 | D743-G745 PolarHBondContact O-N 3.19Å; G745-L753 CarbonylContact C-O 3.59Å; G745-L753 WeakPolarHBondContact CA-O 3.35Å |
| 746 | F | 92.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 69.7 Ų | 69.7 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.9 | 175.9 | 56.9 | -87.2 | 0 | 0 | 0 | 110.8 | I713 I717 L736 L753 V755 | I713-F746 HydrophobicContact CD1-CB 3.87Å; I713-F746 HydrophobicContact CD1-CD2 4.41Å; I713-F746 HydrophobicContact CD1-CG 4.22Å; I713-F746 HydrophobicContact CG1-CB 4.45Å; I713-F746 HydrophobicContact CG1-CD2 4.21Å; I713-F746 HydrophobicContact CG1-CG 4.26Å; I713-F746 HydrophobicContact CG2-CD2 3.69Å; I713-F746 HydrophobicContact CG2-CE2 4.01Å; I717-F746 HydrophobicContact CG2-CE2 4.02Å; L736-F746 HydrophobicContact CD1-CE1 4.41Å; F746-L753 HydrophobicContact CD2-CB 4.38Å; F746-L753 HydrophobicContact CE1-CB 4.42Å; F746-L753 HydrophobicContact CE2-CB 3.92Å; F746-L753 HydrophobicContact CE2-CD1 3.94Å; F746-L753 HydrophobicContact CZ-CB 3.95Å; F746-L753 HydrophobicContact CZ-CD1 4.37Å; F746-L753 PolarHBondContact N-O 3.29Å; F746-L753 PolarHBondContact O-N 2.87Å; F746-V755 HydrophobicContact CD1-CG2 4.23Å; F746-V755 HydrophobicContact CE1-CG2 3.86Å |
| 747 | S | 85 | Confident | 91.1 | Very high | 93 Ų | 93 | 74 Ų | 74 | 65% | 0.65 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.9 | -179.6 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 748 | T | 81.8 | Confident | 91 | Very high | 35 Ų | 35 | 73.8 Ų | 73.8 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | trans | -103.3 | 168.8 | 161.9 | 62.4 | 0 | 0 | 0 | 0 | 108.7 | I717 Q750 H751 L753 | I717-T748 HydrophobicContact CD1-CG2 3.64Å; I717-T748 HydrophobicContact CG2-CG2 4.04Å; T748-Q750 PolarHBondContact O-N 3.49Å; T748-H751 PolarHBondContact N-O 3.42Å; T748-H751 PolarHBondContact O-N 2.96Å; T748-H751 PolarHBondContact OG1-N 2.97Å; T748-H751 VanDerWaalsContact OG1-N 3.13Å; T748-H751 PolarHBondContact OG1-O 3.01Å; T748-L753 HydrophobicContact CG2-CD1 3.97Å | ||
| 749 | D | 78.6 | Confident | 91 | Very high | 176 Ų | 176 | 69.5 Ų | 69.5 | 94% | 0.941 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -54.2 | -18.1 | 179 | -58.3 | -19.8 | 0 | 0 | 0 | 114.1 | ||
| 750 | Q | 76.3 | Confident | 90.8 | Very high | 163 Ų | 163 | 69.4 Ų | 69.4 | 76% | 0.762 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -123.4 | -23.7 | -174.7 | -62.8 | -173.6 | -14.7 | 0 | 0 | 114.9 | T748 | T748-Q750 PolarHBondContact O-N 3.49Š|
| 751 | H | 84.3 | Confident | 90.6 | Very high | 121 Ų | 121 | 69 Ų | 69 | 56% | 0.56 | 37% | 0.366 | S | S | * | . | trans | -149 | 145.6 | -171.6 | -60.4 | 88.6 | 0 | 0 | 0 | 112.3 | T748 L753 | T748-H751 PolarHBondContact N-O 3.42Å; T748-H751 PolarHBondContact O-N 2.96Å; T748-H751 PolarHBondContact OG1-N 2.97Å; T748-H751 VanDerWaalsContact OG1-N 3.13Å; T748-H751 PolarHBondContact OG1-O 3.01Å; H751-L753 HydrophobicContact CB-CD2 4.17Å; H751-L753 HydrophobicContact CB-CG 4.34Å | ||
| 752 | F | 90.7 | Very high | 90.5 | Very high | 138 Ų | 138 | 67.7 Ų | 67.7 | 61% | 0.605 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 127.1 | 162 | -175.8 | -94.8 | 0 | 0 | 0 | 108.8 | I754 | F752-I754 HydrophobicContact CE1-CG1 4.05Å |
| 753 | L | 93.6 | Very high | 90.5 | Very high | 52 Ų | 52 | 66.4 Ų | 66.4 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 146.9 | -174.6 | -63.2 | 175.8 | 0 | 0 | 0 | 110.1 | I717 G745 F746 T748 H751 | I717-L753 HydrophobicContact CG2-CD1 4.27Å; G745-L753 CarbonylContact C-O 3.59Å; G745-L753 WeakPolarHBondContact CA-O 3.35Å; F746-L753 HydrophobicContact CD2-CB 4.38Å; F746-L753 HydrophobicContact CE1-CB 4.42Å; F746-L753 HydrophobicContact CE2-CB 3.92Å; F746-L753 HydrophobicContact CE2-CD1 3.94Å; F746-L753 HydrophobicContact CZ-CB 3.95Å; F746-L753 HydrophobicContact CZ-CD1 4.37Å; F746-L753 PolarHBondContact N-O 3.29Å; F746-L753 PolarHBondContact O-N 2.87Å; T748-L753 HydrophobicContact CG2-CD1 3.97Å; H751-L753 HydrophobicContact CB-CD2 4.17Å; H751-L753 HydrophobicContact CB-CG 4.34Å |
| 754 | I | 95.5 | Very high | 90.2 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 138.2 | 174.4 | -59.2 | 173.5 | 0 | 0 | 0 | 108.3 | H744 F752 R756 D757 C758 | H744-I754 WeakPolarHBondContact O-CA 3.39Å; F752-I754 HydrophobicContact CE1-CG1 4.05Å; I754-R756 VanDerWaalsContact C-N 3.28Å; I754-R756 HydrophobicContact CG2-CB 4.19Å; I754-R756 PolarHBondContact O-N 3.13Å; I754-D757 HydrophobicContact CB-CB 4.47Å; I754-D757 PolarHBondContact O-N 3.3Å; I754-C758 PolarHBondContact O-N 2.85Å; I754-C758 PolarHBondContact O-SG 2.92Å |
| 755 | V | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -52.7 | -44.6 | -178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | L736 L737 L742 H744 F746 D757 C758 L759 | L736-V755 HydrophobicContact CB-CG2 4.24Å; L737-V755 HydrophobicContact CB-CG1 4.19Å; L742-V755 WeakPolarHBondContact O-CB 3.45Å; H744-V755 HydrophobicContact CB-CG2 4.25Å; H744-V755 PolarHBondContact O-N 2.9Å; F746-V755 HydrophobicContact CD1-CG2 4.23Å; F746-V755 HydrophobicContact CE1-CG2 3.86Å; V755-D757 PolarHBondContact O-N 2.96Å; V755-C758 PolarHBondContact O-N 2.91Å; V755-L759 HydrophobicContact CG1-CD1 3.99Å; V755-L759 HydrophobicContact CG1-CG 4.39Å; V755-L759 WeakPolarHBondContact O-CB 3.31Å; V755-L759 WeakPolarHBondContact O-CG 3.44Å; V755-L759 PolarHBondContact O-N 3.48Å |
| 756 | R | 94.8 | Very high | 89.9 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 36% | 0.362 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.7 | -46.2 | 174.8 | -177.5 | -173.8 | -60.7 | -88.2 | 1.2 | 113.2 | L742 D743 I754 L759 T760 L782 | L742-R756 HydrophobicContact CD2-CB 4.04Å; L742-R756 HydrophobicContact CD2-CG 4.37Å; L742-R756 WeakPolarHBondContact O-CB 3.38Å; L742-R756 PolarHBondContact O-N 3.08Å; D743-R756 IonicContact OD1-CZ 3.71Å; D743-R756 VanDerWaalsContact OD1-CZ 3.29Å; D743-R756 IonicContact OD1-NE 3.94Å; D743-R756 PolarHBondContact OD1-NE 2.99Å; D743-R756 IonicContact OD1-NH2 3.9Å; D743-R756 PolarHBondContact OD1-NH2 3.48Å; D743-R756 IonicContact OD2-NH2 3.94Å; D743-R756 PolarHBondContact OD2-NH2 3.43Å; I754-R756 VanDerWaalsContact C-N 3.28Å; I754-R756 HydrophobicContact CG2-CB 4.19Å; I754-R756 PolarHBondContact O-N 3.13Å; R756-L759 PolarHBondContact O-N 2.93Å; R756-T760 WeakPolarHBondContact O-CB 3.41Å; R756-T760 PolarHBondContact O-N 3.28Å; R756-T760 PolarHBondContact O-OG1 3.34Å; R756-L782 HydrophobicContact CG-CD2 4.19Å |
| 757 | D | 93.1 | Very high | 89.8 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.7 | -40.4 | -178.8 | -64.2 | -25.7 | 0 | 0 | 0 | 110.5 | I754 V755 T760 E761 | I754-D757 HydrophobicContact CB-CB 4.47Å; I754-D757 PolarHBondContact O-N 3.3Å; V755-D757 PolarHBondContact O-N 2.96Å; D757-T760 PolarHBondContact O-N 3.3Å; D757-E761 WeakPolarHBondContact O-CB 3.36Å; D757-E761 PolarHBondContact O-N 3.44Å |
| 758 | C | 94.2 | Very high | 89.9 | Confident | 24 Ų | 24 | 60 Ų | 60 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.1 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | L733 I754 V755 L762 | L733-C758 HydrophobicContact CD1-CB 4.02Å; L733-C758 HydrophobicContact CD2-CB 3.75Å; I754-C758 PolarHBondContact O-N 2.85Å; I754-C758 PolarHBondContact O-SG 2.92Å; V755-C758 PolarHBondContact O-N 2.91Å; C758-L762 WeakPolarHBondContact O-CB 3.37Å; C758-L762 PolarHBondContact O-N 3.28Å |
| 759 | L | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.9 | -78.2 | 171.4 | 0 | 0 | 0 | 111.6 | I730 L733 L737 L742 V755 R756 L762 S763 L781 L782 | I730-L759 HydrophobicContact CD1-CD2 3.3Å; L733-L759 HydrophobicContact CB-CD2 3.83Å; L733-L759 HydrophobicContact CB-CG 4.32Å; L733-L759 HydrophobicContact CD1-CD2 4.01Å; L733-L759 HydrophobicContact CD1-CG 4.31Å; L737-L759 HydrophobicContact CD1-CD1 3.85Å; L742-L759 HydrophobicContact CD2-CD1 3.93Å; V755-L759 HydrophobicContact CG1-CD1 3.99Å; V755-L759 HydrophobicContact CG1-CG 4.39Å; V755-L759 WeakPolarHBondContact O-CB 3.31Å; V755-L759 WeakPolarHBondContact O-CG 3.44Å; V755-L759 PolarHBondContact O-N 3.48Å; R756-L759 PolarHBondContact O-N 2.93Å; L759-L762 PolarHBondContact O-N 3.43Å; L759-S763 WeakPolarHBondContact O-CB 3.15Å; L759-S763 PolarHBondContact O-N 2.84Å; L759-L781 HydrophobicContact CD1-CB 4.22Å; L759-L781 HydrophobicContact CD2-CD1 4.04Å; L759-L782 HydrophobicContact CB-CD1 4.15Å; L759-L782 HydrophobicContact CB-CD2 3.83Å; L759-L782 HydrophobicContact CB-CG 3.98Å; L759-L782 HydrophobicContact CD1-CD2 4.22Å; L759-L782 HydrophobicContact CD1-CG 4.46Å |
| 760 | T | 91.4 | Very high | 90.7 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 179.4 | -57.2 | 0 | 0 | 0 | 0 | 111 | R756 D757 S763 R764 | R756-T760 WeakPolarHBondContact O-CB 3.41Å; R756-T760 PolarHBondContact O-N 3.28Å; R756-T760 PolarHBondContact O-OG1 3.34Å; D757-T760 PolarHBondContact O-N 3.3Å; T760-S763 PolarHBondContact O-N 3.28Å; T760-R764 PolarHBondContact O-N 2.88Å; T760-R764 VanDerWaalsContact O-N 3.11Å |
| 761 | E | 90.5 | Very high | 91.5 | Very high | 73 Ų | 73 | 48.9 Ų | 48.9 | 34% | 0.341 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.9 | -39.2 | 177.7 | 178.3 | 57.1 | -166.2 | 0 | 0 | 112.1 | D757 S763 R764 K765 | D757-E761 WeakPolarHBondContact O-CB 3.36Å; D757-E761 PolarHBondContact O-N 3.44Å; E761-S763 VanDerWaalsContact C-N 3.34Å; E761-S763 PolarHBondContact O-N 3.11Å; E761-R764 PolarHBondContact O-N 3.42Å; E761-R764 IonicContact OE1-CZ 3.77Å; E761-R764 IonicContact OE1-NE 2.63Å; E761-R764 IonicContact OE1-NH2 3.69Å; E761-R764 PolarHBondContact OE1-NH2 3.2Å; E761-R764 IonicContact OE2-CZ 2.74Å; E761-R764 IonicContact OE2-NE 3.12Å; E761-R764 PolarHBondContact OE2-NE 3.38Å; E761-R764 IonicContact OE2-NH2 3.2Å; E761-R764 PolarHBondContact OE2-NH2 3.45Å; E761-K765 WeakPolarHBondContact O-CG 3.28Å; E761-K765 PolarHBondContact O-N 3.07Å; E761-K765 WeakPolarHBondContact OE1-CE 3.46Å |
| 762 | L | 93.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 175.5 | -168.5 | 76.3 | 0 | 0 | 0 | 110.9 | L726 R729 I730 L733 C758 L759 R764 K765 A766 V774 | L726-L762 HydrophobicContact CD2-CD1 3.53Å; R729-L762 HydrophobicContact CB-CD1 4.15Å; R729-L762 HydrophobicContact CB-CD2 4.22Å; I730-L762 HydrophobicContact CB-CD2 3.75Å; I730-L762 HydrophobicContact CD1-CD2 4.02Å; I730-L762 HydrophobicContact CG1-CD2 4.42Å; L733-L762 HydrophobicContact CD1-CB 4.48Å; L733-L762 HydrophobicContact CD1-CD2 3.99Å; C758-L762 WeakPolarHBondContact O-CB 3.37Å; C758-L762 PolarHBondContact O-N 3.28Å; L759-L762 PolarHBondContact O-N 3.43Å; L762-R764 VanDerWaalsContact C-N 3.32Å; L762-R764 PolarHBondContact O-N 2.85Å; L762-K765 PolarHBondContact O-N 3.01Å; L762-A766 WeakPolarHBondContact O-CB 3.31Å; L762-A766 PolarHBondContact O-N 3.13Å; L762-V774 HydrophobicContact CD2-CG1 4.02Å; L762-V774 HydrophobicContact CG-CG1 4.3Å |
| 763 | S | 92.1 | Very high | 92 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | 175.5 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | L759 T760 E761 G767 | L759-S763 WeakPolarHBondContact O-CB 3.15Å; L759-S763 PolarHBondContact O-N 2.84Å; T760-S763 PolarHBondContact O-N 3.28Å; E761-S763 VanDerWaalsContact C-N 3.34Å; E761-S763 PolarHBondContact O-N 3.11Å; S763-G767 PolarHBondContact O-N 3.32Å |
| 764 | R | 88.8 | Confident | 92.1 | Very high | 76 Ų | 76 | 34.7 Ų | 34.7 | 29% | 0.287 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64 | -47.8 | 177.8 | -167.4 | -171.4 | 69.6 | 75 | 8.1 | 111.4 | D594 T760 E761 L762 G767 I768 | D594-R764 IonicContact OD1-NH1 3.59Å; D594-R764 PolarHBondContact OD1-NH1 3.21Å; D594-R764 WeakPolarHBondContact OD2-CD 3.38Å; D594-R764 IonicContact OD2-CZ 3.56Å; D594-R764 IonicContact OD2-NH1 2.66Å; D594-R764 PolarHBondContact OD2-NH1 2.99Å; T760-R764 PolarHBondContact O-N 2.88Å; T760-R764 VanDerWaalsContact O-N 3.11Å; E761-R764 PolarHBondContact O-N 3.42Å; E761-R764 IonicContact OE1-CZ 3.77Å; E761-R764 IonicContact OE1-NE 2.63Å; E761-R764 IonicContact OE1-NH2 3.69Å; E761-R764 PolarHBondContact OE1-NH2 3.2Å; E761-R764 IonicContact OE2-CZ 2.74Å; E761-R764 IonicContact OE2-NE 3.12Å; E761-R764 PolarHBondContact OE2-NE 3.38Å; E761-R764 IonicContact OE2-NH2 3.2Å; E761-R764 PolarHBondContact OE2-NH2 3.45Å; L762-R764 VanDerWaalsContact C-N 3.32Å; L762-R764 PolarHBondContact O-N 2.85Å; R764-G767 PolarHBondContact O-N 3.3Å; R764-I768 VanDerWaalsContact NH1-CD1 3.34Å; R764-I768 WeakPolarHBondContact O-CG1 3.24Å; R764-I768 PolarHBondContact O-N 3.41Å |
| 765 | K | 89.6 | Confident | 92 | Very high | 62 Ų | 62 | 32.2 Ų | 32.2 | 27% | 0.27 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 176.3 | -72.8 | -174.3 | 177.7 | -164.8 | 0 | 112 | E761 L762 G767 I768 Q769 | E761-K765 WeakPolarHBondContact O-CG 3.28Å; E761-K765 PolarHBondContact O-N 3.07Å; E761-K765 WeakPolarHBondContact OE1-CE 3.46Å; L762-K765 PolarHBondContact O-N 3.01Å; K765-G767 VanDerWaalsContact C-N 3.27Å; K765-G767 PolarHBondContact O-N 3.34Å; K765-I768 PolarHBondContact O-N 2.92Å; K765-Q769 WeakPolarHBondContact O-CG 3.44Å; K765-Q769 PolarHBondContact O-N 2.96Å |
| 766 | A | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -35.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L726 L762 Q769 Q770 A771 V774 V775 | L726-A766 HydrophobicContact CD1-CB 4.22Å; L762-A766 WeakPolarHBondContact O-CB 3.31Å; L762-A766 PolarHBondContact O-N 3.13Å; A766-Q769 CarbonylContact O-C 3.58Å; A766-Q769 PolarHBondContact O-N 3.01Å; A766-Q770 WeakPolarHBondContact O-CA 3.34Å; A766-Q770 PolarHBondContact O-N 2.85Å; A766-A771 HydrophobicContact CB-CB 4.24Å; A766-A771 PolarHBondContact O-N 3.43Å; A766-V774 HydrophobicContact CB-CB 3.99Å; A766-V774 HydrophobicContact CB-CG1 3.8Å; A766-V775 VanDerWaalsContact C-CG2 3.49Å; A766-V775 HydrophobicContact CB-CG2 3.64Å |
| 767 | G | 89.7 | Confident | 91.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | S763 R764 K765 Q769 Q770 | S763-G767 PolarHBondContact O-N 3.32Å; R764-G767 PolarHBondContact O-N 3.3Å; K765-G767 VanDerWaalsContact C-N 3.27Å; K765-G767 PolarHBondContact O-N 3.34Å; G767-Q769 VanDerWaalsContact C-N 3.3Å; G767-Q769 PolarHBondContact O-N 3.36Å; G767-Q770 PolarHBondContact O-N 3.23Å; G767-Q770 PolarHBondContact O-NE2 3.44Å |
| 768 | I | 87.3 | Confident | 92 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 12% | 0.118 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.6 | -66.1 | 167.8 | 0 | 0 | 0 | 111.1 | K597 V598 P599 R764 K765 Q770 | K597-I768 HydrophobicContact CB-CG2 4.01Å; K597-I768 HydrophobicContact CD-CD1 4.35Å; V598-I768 HydrophobicContact CG2-CG1 4.41Å; P599-I768 VanDerWaalsContact CD-O 3.29Å; P599-I768 WeakPolarHBondContact CD-O 3.21Å; R764-I768 VanDerWaalsContact NH1-CD1 3.34Å; R764-I768 WeakPolarHBondContact O-CG1 3.24Å; R764-I768 PolarHBondContact O-N 3.41Å; K765-I768 PolarHBondContact O-N 2.92Å; I768-Q770 VanDerWaalsContact C-N 3.3Å; I768-Q770 PolarHBondContact O-N 3.5Å |
| 769 | Q | 88.7 | Confident | 91.9 | Very high | 100 Ų | 100 | 22.5 Ų | 22.5 | 47% | 0.467 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -0.4 | -180 | -59.9 | -63.3 | -15.6 | 0 | 0 | 114.1 | D721 L726 K765 A766 G767 A771 | D721-Q769 HydrophobicContact CB-CG 4.28Å; D721-Q769 WeakPolarHBondContact O-CG 3.39Å; L726-Q769 HydrophobicContact CD1-CB 4.23Å; L726-Q769 HydrophobicContact CD1-CG 4.45Å; K765-Q769 WeakPolarHBondContact O-CG 3.44Å; K765-Q769 PolarHBondContact O-N 2.96Å; A766-Q769 CarbonylContact O-C 3.58Å; A766-Q769 PolarHBondContact O-N 3.01Å; G767-Q769 VanDerWaalsContact C-N 3.3Å; G767-Q769 PolarHBondContact O-N 3.36Å; Q769-A771 PolarHBondContact O-N 2.79Å |
| 770 | Q | 88.5 | Confident | 91.8 | Very high | 38 Ų | 38 | 22.5 Ų | 22.5 | 18% | 0.178 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 28.8 | -177.9 | -58.1 | -71.7 | -68.6 | 0 | 0 | 114.7 | H559 P599 A766 G767 I768 W772 | H559-Q770 PolarHBondContact O-NE2 3.31Å; P599-Q770 HydrophobicContact CB-CG 4.21Å; P599-Q770 HydrophobicContact CG-CG 3.72Å; A766-Q770 WeakPolarHBondContact O-CA 3.34Å; A766-Q770 PolarHBondContact O-N 2.85Å; G767-Q770 PolarHBondContact O-N 3.23Å; G767-Q770 PolarHBondContact O-NE2 3.44Å; I768-Q770 VanDerWaalsContact C-N 3.3Å; I768-Q770 PolarHBondContact O-N 3.5Å; Q770-W772 VanDerWaalsContact C-N 3.27Å; Q770-W772 PolarHBondContact O-N 3.27Å; Q770-W772 VanDerWaalsContact OE1-CZ2 3.24Å |
| 771 | A | 92.3 | Very high | 92 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 3% | 0.025 | 9% | 0.089 | C | C | . | . | trans | -81.5 | 69.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A723 L726 A766 Q769 C773 V774 V775 | A723-A771 HydrophobicContact CB-CB 4.13Å; L726-A771 HydrophobicContact CD1-CB 3.97Å; A766-A771 HydrophobicContact CB-CB 4.24Å; A766-A771 PolarHBondContact O-N 3.43Å; Q769-A771 PolarHBondContact O-N 2.79Å; A771-C773 VanDerWaalsContact C-N 3.35Å; A771-C773 PolarHBondContact O-N 3.05Å; A771-V774 HydrophobicContact CB-CB 4.39Å; A771-V774 HydrophobicContact CB-CG2 4.33Å; A771-V774 WeakPolarHBondContact O-CB 3.45Å; A771-V774 PolarHBondContact O-N 3.11Å; A771-V775 PolarHBondContact O-N 3.3Å; A771-V775 VanDerWaalsContact O-N 3.15Å | ||
| 772 | W | 93 | Very high | 92.1 | Very high | 6 Ų | 6 | 17 Ų | 17 | 2% | 0.023 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61 | -31.8 | -165 | -71.3 | 103.9 | 0 | 0 | 0 | 116.2 | Y556 H559 D560 Q770 V774 V775 R776 P938 P939 | Y556-W772 AromaticContact CD2-CZ3 3.97Å; Y556-W772 HydrophobicContact CD2-CZ3 3.97Å; Y556-W772 HydrophobicContact CE2-CZ3 4.47Å; H559-W772 HydrophobicContact CB-CH2 4.09Å; D560-W772 HydrophobicContact CB-CH2 3.71Å; D560-W772 HydrophobicContact CB-CZ2 3.84Å; Q770-W772 VanDerWaalsContact C-N 3.27Å; Q770-W772 PolarHBondContact O-N 3.27Å; Q770-W772 VanDerWaalsContact OE1-CZ2 3.24Å; W772-V774 VanDerWaalsContact C-N 3.28Å; W772-V774 PolarHBondContact O-N 3.05Å; W772-V775 HydrophobicContact CE3-CB 4.21Å; W772-V775 HydrophobicContact CE3-CG1 4.16Å; W772-V775 HydrophobicContact CE3-CG2 4.42Å; W772-V775 HydrophobicContact CZ3-CG1 4.22Å; W772-V775 PolarHBondContact O-N 2.59Å; W772-R776 WeakPolarHBondContact O-CB 3.22Å; W772-R776 WeakPolarHBondContact O-CG 3.12Å; W772-R776 PolarHBondContact O-N 2.72Å; W772-P938 HydrophobicContact CD2-CB 4.41Å; W772-P938 HydrophobicContact CZ2-CB 3.94Å; W772-P939 HydrophobicContact CE3-CG 4.04Å; W772-P939 VanDerWaalsContact CH2-CD 3.43Å; W772-P939 HydrophobicContact CH2-CG 3.96Å; W772-P939 HydrophobicContact CZ3-CG 3.65Å |
| 773 | C | 93.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 5% | 0.047 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 175.1 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | I696 A771 L777 Y935 | I696-C773 HydrophobicContact CD1-CB 3.43Å; I696-C773 VanDerWaalsContact CD1-CB 3.43Å; A771-C773 VanDerWaalsContact C-N 3.35Å; A771-C773 PolarHBondContact O-N 3.05Å; C773-L777 WeakPolarHBondContact O-CB 3.3Å; C773-L777 PolarHBondContact O-N 3.49Å; C773-Y935 WeakPolarHBondContact CA-O 3.49Å; C773-Y935 PolarHBondContact N-O 3.08Å |
| 774 | V | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.8 | -42.5 | 176 | -179.8 | 0 | 0 | 0 | 0 | 110 | L726 A727 I730 L762 A766 A771 W772 L777 S778 | L726-V774 HydrophobicContact CB-CG1 4.32Å; L726-V774 HydrophobicContact CB-CG2 4.13Å; A727-V774 HydrophobicContact CB-CG2 4.22Å; I730-V774 HydrophobicContact CB-CG1 3.9Å; I730-V774 HydrophobicContact CG1-CG1 4.35Å; I730-V774 HydrophobicContact CG2-CB 4.39Å; I730-V774 HydrophobicContact CG2-CG1 3.93Å; I730-V774 HydrophobicContact CG2-CG2 4.06Å; L762-V774 HydrophobicContact CD2-CG1 4.02Å; L762-V774 HydrophobicContact CG-CG1 4.3Å; A766-V774 HydrophobicContact CB-CB 3.99Å; A766-V774 HydrophobicContact CB-CG1 3.8Å; A771-V774 HydrophobicContact CB-CB 4.39Å; A771-V774 HydrophobicContact CB-CG2 4.33Å; A771-V774 WeakPolarHBondContact O-CB 3.45Å; A771-V774 PolarHBondContact O-N 3.11Å; W772-V774 VanDerWaalsContact C-N 3.28Å; W772-V774 PolarHBondContact O-N 3.05Å; V774-L777 PolarHBondContact O-N 3.06Å; V774-S778 VanDerWaalsContact O-CB 3.3Å; V774-S778 WeakPolarHBondContact O-CB 3.32Å; V774-S778 PolarHBondContact O-N 3.32Å; V774-S778 PolarHBondContact O-OG 3.29Å |
| 775 | V | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.4 | -50.9 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | Y556 A766 A771 W772 S778 A779 | Y556-V775 HydrophobicContact CD1-CG1 4.27Å; Y556-V775 HydrophobicContact CD2-CG1 3.53Å; Y556-V775 HydrophobicContact CE2-CG1 4.37Å; Y556-V775 HydrophobicContact CG-CG1 3.44Å; Y556-V775 VanDerWaalsContact CG-CG1 3.44Å; A766-V775 VanDerWaalsContact C-CG2 3.49Å; A766-V775 HydrophobicContact CB-CG2 3.64Å; A771-V775 PolarHBondContact O-N 3.3Å; A771-V775 VanDerWaalsContact O-N 3.15Å; W772-V775 HydrophobicContact CE3-CB 4.21Å; W772-V775 HydrophobicContact CE3-CG1 4.16Å; W772-V775 HydrophobicContact CE3-CG2 4.42Å; W772-V775 HydrophobicContact CZ3-CG1 4.22Å; W772-V775 PolarHBondContact O-N 2.59Å; V775-S778 PolarHBondContact O-N 3.13Å; V775-A779 WeakPolarHBondContact O-CB 3.48Å; V775-A779 PolarHBondContact O-N 3.11Å |
| 776 | R | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 179 | -73.5 | 175.5 | 176.9 | 118.7 | 4.7 | 111.8 | W772 S778 A779 A780 V838 S841 E845 Y935 L937 | W772-R776 WeakPolarHBondContact O-CB 3.22Å; W772-R776 WeakPolarHBondContact O-CG 3.12Å; W772-R776 PolarHBondContact O-N 2.72Å; R776-S778 VanDerWaalsContact C-N 3.34Å; R776-S778 PolarHBondContact O-N 3.19Å; R776-A779 PolarHBondContact O-N 2.86Å; R776-A780 PolarHBondContact O-N 2.87Å; R776-V838 HydrophobicContact CB-CG1 4.08Å; R776-S841 PolarHBondContact O-OG 3.45Å; R776-E845 IonicContact CZ-OE1 3.6Å; R776-E845 IonicContact CZ-OE2 2.71Å; R776-E845 IonicContact NE-OE1 3.43Å; R776-E845 PolarHBondContact NE-OE1 3.41Å; R776-E845 IonicContact NE-OE2 3.28Å; R776-E845 IonicContact NH2-OE1 2.81Å; R776-E845 IonicContact NH2-OE2 3.72Å; R776-E845 PolarHBondContact NH2-OE2 2.94Å; R776-Y935 PolarHBondContact NH1-O 3.08Å; R776-L937 PolarHBondContact NH1-O 2.62Å; R776-L937 PolarHBondContact NH2-O 3.39Å |
| 777 | L | 95.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 17.5 Ų | 17.5 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 178 | -177.1 | 56.6 | 0 | 0 | 0 | 111.5 | I699 I730 C773 V774 A779 A780 L781 P837 V838 | I699-L777 HydrophobicContact CB-CD2 3.97Å; I699-L777 HydrophobicContact CD1-CD2 4.27Å; I699-L777 HydrophobicContact CG1-CD2 4.39Å; I730-L777 HydrophobicContact CG1-CB 4.18Å; I730-L777 HydrophobicContact CG1-CD2 3.7Å; I730-L777 HydrophobicContact CG1-CG 3.81Å; I730-L777 HydrophobicContact CG2-CD2 4.05Å; C773-L777 WeakPolarHBondContact O-CB 3.3Å; C773-L777 PolarHBondContact O-N 3.49Å; V774-L777 PolarHBondContact O-N 3.06Å; L777-A779 VanDerWaalsContact C-N 3.34Å; L777-A779 PolarHBondContact O-N 3.29Å; L777-A780 PolarHBondContact O-N 2.96Å; L777-L781 HydrophobicContact CD1-CD1 4.24Å; L777-L781 HydrophobicContact CD1-CG 4.15Å; L777-L781 HydrophobicContact CG-CD1 4.04Å; L777-L781 HydrophobicContact CG-CG 4.4Å; L777-L781 WeakPolarHBondContact O-CG 3.43Å; L777-L781 PolarHBondContact O-N 3.5Å; L777-P837 HydrophobicContact CD1-CB 3.71Å; L777-V838 HydrophobicContact CB-CG2 4.44Å |
| 778 | S | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | I730 V774 V775 R776 A780 L781 L782 | I730-S778 VanDerWaalsContact CD1-OG 3.32Å; I730-S778 WeakPolarHBondContact CD1-OG 3.49Å; V774-S778 VanDerWaalsContact O-CB 3.3Å; V774-S778 WeakPolarHBondContact O-CB 3.32Å; V774-S778 PolarHBondContact O-N 3.32Å; V774-S778 PolarHBondContact O-OG 3.29Å; V775-S778 PolarHBondContact O-N 3.13Å; R776-S778 VanDerWaalsContact C-N 3.34Å; R776-S778 PolarHBondContact O-N 3.19Å; S778-A780 PolarHBondContact O-N 3.12Å; S778-L781 PolarHBondContact O-N 2.67Å; S778-L782 WeakPolarHBondContact O-CB 3.43Å; S778-L782 WeakPolarHBondContact O-CG 3.45Å; S778-L782 PolarHBondContact O-N 3.3Å |
| 779 | A | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y556 V775 R776 L777 L782 S783 Q784 | Y556-A779 HydrophobicContact CD1-CB 3.39Å; Y556-A779 HydrophobicContact CE1-CB 3.47Å; Y556-A779 VanDerWaalsContact CE1-CB 3.47Å; V775-A779 WeakPolarHBondContact O-CB 3.48Å; V775-A779 PolarHBondContact O-N 3.11Å; R776-A779 PolarHBondContact O-N 2.86Å; L777-A779 VanDerWaalsContact C-N 3.34Å; L777-A779 PolarHBondContact O-N 3.29Å; A779-L782 PolarHBondContact O-N 3.39Å; A779-S783 PolarHBondContact O-N 3.08Å; A779-Q784 HydrophobicContact CB-CB 4.23Å; A779-Q784 WeakPolarHBondContact O-CB 3.35Å; A779-Q784 PolarHBondContact O-N 2.73Å |
| 780 | A | 93.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R776 L777 S778 S783 R829 Y833 P837 F840 | R776-A780 PolarHBondContact O-N 2.87Å; L777-A780 PolarHBondContact O-N 2.96Å; S778-A780 PolarHBondContact O-N 3.12Å; A780-S783 PolarHBondContact O-N 3.01Å; A780-S783 VanDerWaalsContact O-N 3.09Å; A780-R829 PolarHBondContact O-NH2 3.14Å; A780-Y833 HydrophobicContact CB-CD2 4.19Å; A780-Y833 HydrophobicContact CB-CE2 4.2Å; A780-P837 HydrophobicContact CB-CB 4.3Å; A780-P837 WeakPolarHBondContact CB-O 3.35Å; A780-F840 HydrophobicContact CB-CB 4.33Å; A780-F840 HydrophobicContact CB-CD1 3.79Å; A780-F840 HydrophobicContact CB-CG 4.44Å |
| 781 | L | 94.4 | Very high | 87.9 | Confident | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.3 | -37.9 | 177.8 | -67 | 174.7 | 0 | 0 | 0 | 112.4 | I730 H734 L737 L759 L777 S778 S783 | I730-L781 HydrophobicContact CD1-CD1 3.78Å; I730-L781 HydrophobicContact CG1-CD1 4.33Å; H734-L781 HydrophobicContact CB-CD1 3.77Å; H734-L781 HydrophobicContact CB-CD2 4.47Å; H734-L781 WeakPolarHBondContact CD2-CD2 3.42Å; L737-L781 HydrophobicContact CD1-CB 4.21Å; L737-L781 HydrophobicContact CD2-CD2 4.34Å; L759-L781 HydrophobicContact CD1-CB 4.22Å; L759-L781 HydrophobicContact CD2-CD1 4.04Å; L777-L781 HydrophobicContact CD1-CD1 4.24Å; L777-L781 HydrophobicContact CD1-CG 4.15Å; L777-L781 HydrophobicContact CG-CD1 4.04Å; L777-L781 HydrophobicContact CG-CG 4.4Å; L777-L781 WeakPolarHBondContact O-CG 3.43Å; L777-L781 PolarHBondContact O-N 3.5Å; S778-L781 PolarHBondContact O-N 2.67Å; L781-S783 PolarHBondContact O-N 3.35Å |
| 782 | L | 92.2 | Very high | 87.5 | Confident | 22 Ų | 22 | 14 Ų | 14 | 12% | 0.115 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -1.6 | 173.9 | -71.5 | 169.7 | 0 | 0 | 0 | 113.2 | L742 R756 L759 S778 A779 Q784 | L742-L782 HydrophobicContact CD2-CD2 4.01Å; R756-L782 HydrophobicContact CG-CD2 4.19Å; L759-L782 HydrophobicContact CB-CD1 4.15Å; L759-L782 HydrophobicContact CB-CD2 3.83Å; L759-L782 HydrophobicContact CB-CG 3.98Å; L759-L782 HydrophobicContact CD1-CD2 4.22Å; L759-L782 HydrophobicContact CD1-CG 4.46Å; S778-L782 WeakPolarHBondContact O-CB 3.43Å; S778-L782 WeakPolarHBondContact O-CG 3.45Å; S778-L782 PolarHBondContact O-N 3.3Å; A779-L782 PolarHBondContact O-N 3.39Å; L782-Q784 HydrophobicContact CB-CG 3.99Å; L782-Q784 PolarHBondContact O-N 2.77Å |
| 783 | S | 89.3 | Confident | 87.2 | Confident | 39 Ų | 39 | 13.7 Ų | 13.7 | 27% | 0.273 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 30.3 | -176.9 | -45 | 0 | 0 | 0 | 0 | 113.6 | A779 A780 L781 F785 R829 | A779-S783 PolarHBondContact O-N 3.08Å; A780-S783 PolarHBondContact O-N 3.01Å; A780-S783 VanDerWaalsContact O-N 3.09Å; L781-S783 PolarHBondContact O-N 3.35Å; S783-F785 PolarHBondContact O-N 3.47Å; S783-R829 VanDerWaalsContact CB-NH1 3.31Å; S783-R829 VanDerWaalsContact CB-NH2 3.29Å; S783-R829 VanDerWaalsContact OG-CZ 3.25Å; S783-R829 PolarHBondContact OG-NH1 3.32Å; S783-R829 PolarHBondContact OG-NH2 3.15Å |
| 784 | Q | 87.1 | Confident | 86.6 | Confident | 29 Ų | 29 | 13.4 Ų | 13.4 | 14% | 0.136 | 8% | 0.084 | C | C | . | . | trans | -65.6 | 134 | 179 | -70.9 | 180 | -5.3 | 0 | 0 | 110.7 | A779 L782 Q844 | A779-Q784 HydrophobicContact CB-CB 4.23Å; A779-Q784 WeakPolarHBondContact O-CB 3.35Å; A779-Q784 PolarHBondContact O-N 2.73Å; L782-Q784 HydrophobicContact CB-CG 3.99Å; L782-Q784 PolarHBondContact O-N 2.77Å; Q784-Q844 PolarHBondContact O-NE2 3.35Å | ||
| 785 | F | 83.6 | Confident | 85.8 | Confident | 34 Ų | 34 | 14.7 Ų | 14.7 | 15% | 0.149 | 9% | 0.091 | C | C | . | . | trans | -137 | 123.5 | -176 | -171.6 | -99.6 | 0 | 0 | 0 | 110.8 | S783 S787 L789 P821 L824 H825 L828 | S783-F785 PolarHBondContact O-N 3.47Å; F785-S787 PolarHBondContact O-N 2.82Å; F785-L789 HydrophobicContact CD1-CD1 4.24Å; F785-L789 HydrophobicContact CD2-CD1 3.72Å; F785-L789 HydrophobicContact CE1-CB 4.21Å; F785-L789 HydrophobicContact CE1-CD1 3.96Å; F785-L789 HydrophobicContact CE2-CD1 3.41Å; F785-L789 VanDerWaalsContact CE2-CD1 3.41Å; F785-L789 HydrophobicContact CG-CD1 4.15Å; F785-L789 HydrophobicContact CZ-CB 3.96Å; F785-L789 HydrophobicContact CZ-CD1 3.55Å; F785-L789 HydrophobicContact CZ-CG 4.42Å; F785-P821 HydrophobicContact CE1-CB 4.15Å; F785-L824 HydrophobicContact CE2-CG 4.28Å; F785-L824 HydrophobicContact CZ-CB 4.07Å; F785-L824 HydrophobicContact CZ-CD2 4.01Å; F785-L824 HydrophobicContact CZ-CG 3.89Å; F785-H825 HydrophobicContact CD2-CB 3.88Å; F785-H825 AromaticContact CD2-CG 3.99Å; F785-H825 AromaticContact CD2-ND1 3.3Å; F785-H825 VanDerWaalsContact CD2-ND1 3.3Å; F785-H825 WeakPolarHBondContact CD2-ND1 3.45Å; F785-H825 HydrophobicContact CE2-CB 3.79Å; F785-H825 HydrophobicContact CG-CB 4.29Å; F785-H825 AromaticContact CG-ND1 3.58Å; F785-H825 HydrophobicContact CZ-CB 4.16Å; F785-L828 HydrophobicContact CE2-CD1 4Å | ||
| 786 | A | 79.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 4% | 0.041 | 9% | 0.091 | C | C | . | . | trans | -68 | 124.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | F555 S788 L789 L848 | F555-A786 HydrophobicContact CD1-CB 4.34Å; F555-A786 HydrophobicContact CD2-CB 4.01Å; F555-A786 HydrophobicContact CE1-CB 3.88Å; F555-A786 HydrophobicContact CE2-CB 3.55Å; F555-A786 HydrophobicContact CG-CB 4.42Å; F555-A786 HydrophobicContact CZ-CB 3.5Å; F555-A786 VanDerWaalsContact CZ-CB 3.5Å; A786-S788 PolarHBondContact O-N 2.86Å; A786-S788 VanDerWaalsContact O-N 3.15Å; A786-L789 HydrophobicContact CB-CD1 3.83Å; A786-L789 HydrophobicContact CB-CD2 4.48Å; A786-L789 HydrophobicContact CB-CG 3.7Å; A786-L789 WeakPolarHBondContact O-CB 3.38Å; A786-L789 WeakPolarHBondContact O-CD1 3.37Å; A786-L789 VanDerWaalsContact O-CG 3.32Å; A786-L789 WeakPolarHBondContact O-CG 3.39Å; A786-L789 PolarHBondContact O-N 3.24Å; A786-L789 VanDerWaalsContact O-N 3.11Å; A786-L848 HydrophobicContact CB-CD1 4.36Å | ||
| 787 | S | 71.4 | Confident | 85 | Confident | 52 Ų | 52 | 15.5 Ų | 15.5 | 36% | 0.364 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23 | 179.3 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | I548 F785 | I548-S787 WeakPolarHBondContact CD1-OG 3.46Å; F785-S787 PolarHBondContact O-N 2.82Å |
| 788 | S | 74.6 | Confident | 83.8 | Confident | 45 Ų | 45 | 15.4 Ų | 15.4 | 32% | 0.315 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.6 | 178.4 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | A786 P791 S792 L848 | A786-S788 PolarHBondContact O-N 2.86Å; A786-S788 VanDerWaalsContact O-N 3.15Å; S788-P791 VanDerWaalsContact O-CD 3.25Å; S788-P791 WeakPolarHBondContact O-CD 3.33Å; S788-S792 WeakPolarHBondContact O-CB 2.85Å; S788-S792 PolarHBondContact O-N 2.92Å; S788-S792 PolarHBondContact O-OG 2.96Å; S788-L848 VanDerWaalsContact OG-CD2 3.31Å; S788-L848 WeakPolarHBondContact OG-CD2 3.45Å |
| 789 | L | 83.4 | Confident | 83 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.1 | -48.5 | -174.4 | -74.5 | 168 | 0 | 0 | 0 | 114.2 | F785 A786 S792 L793 L824 Q844 I847 L848 | F785-L789 HydrophobicContact CD1-CD1 4.24Å; F785-L789 HydrophobicContact CD2-CD1 3.72Å; F785-L789 HydrophobicContact CE1-CB 4.21Å; F785-L789 HydrophobicContact CE1-CD1 3.96Å; F785-L789 HydrophobicContact CE2-CD1 3.41Å; F785-L789 VanDerWaalsContact CE2-CD1 3.41Å; F785-L789 HydrophobicContact CG-CD1 4.15Å; F785-L789 HydrophobicContact CZ-CB 3.96Å; F785-L789 HydrophobicContact CZ-CD1 3.55Å; F785-L789 HydrophobicContact CZ-CG 4.42Å; A786-L789 HydrophobicContact CB-CD1 3.83Å; A786-L789 HydrophobicContact CB-CD2 4.48Å; A786-L789 HydrophobicContact CB-CG 3.7Å; A786-L789 WeakPolarHBondContact O-CB 3.38Å; A786-L789 WeakPolarHBondContact O-CD1 3.37Å; A786-L789 VanDerWaalsContact O-CG 3.32Å; A786-L789 WeakPolarHBondContact O-CG 3.39Å; A786-L789 PolarHBondContact O-N 3.24Å; A786-L789 VanDerWaalsContact O-N 3.11Å; L789-S792 PolarHBondContact O-N 3.46Å; L789-S792 VanDerWaalsContact O-N 3.17Å; L789-L793 WeakPolarHBondContact O-CB 3.36Å; L789-L793 PolarHBondContact O-N 2.9Å; L789-L824 HydrophobicContact CB-CD2 3.82Å; L789-Q844 HydrophobicContact CD1-CB 4.02Å; L789-Q844 HydrophobicContact CD1-CG 3.59Å; L789-Q844 VanDerWaalsContact CD1-OE1 3.28Å; L789-Q844 HydrophobicContact CD2-CB 3.99Å; L789-Q844 HydrophobicContact CD2-CG 4.32Å; L789-Q844 WeakPolarHBondContact CD2-O 3.46Å; L789-I847 HydrophobicContact CD2-CB 3.79Å; L789-I847 HydrophobicContact CD2-CD1 4.21Å; L789-I847 HydrophobicContact CD2-CG2 3.76Å; L789-L848 HydrophobicContact CD2-CD2 4.09Å; L789-L848 HydrophobicContact CD2-CG 4.02Å |
| 790 | A | 79.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S794 P821 | A790-S794 PolarHBondContact O-N 3.26Å; A790-S794 PolarHBondContact O-OG 3.29Å; A790-P821 HydrophobicContact CB-CG 4.05Å |
| 791 | P | 73.8 | Confident | 81.8 | Confident | 28 Ų | 28 | 17.6 Ų | 17.6 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.5 | -48.6 | 166.6 | -27.1 | 33.2 | 0 | 0 | 0 | 114 | S788 L793 S794 T795 | S788-P791 VanDerWaalsContact O-CD 3.25Å; S788-P791 WeakPolarHBondContact O-CD 3.33Å; P791-L793 PolarHBondContact O-N 3.38Å; P791-S794 WeakPolarHBondContact O-CB 3.47Å; P791-S794 PolarHBondContact O-N 2.72Å; P791-S794 VanDerWaalsContact O-N 3.12Å; P791-T795 PolarHBondContact O-N 3.25Å; P791-T795 PolarHBondContact O-OG1 3.37Å |
| 792 | S | 83.7 | Confident | 81.5 | Confident | 16 Ų | 16 | 18 Ų | 18 | 11% | 0.112 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 178.8 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | S788 L789 S794 T795 I796 S851 | S788-S792 WeakPolarHBondContact O-CB 2.85Å; S788-S792 PolarHBondContact O-N 2.92Å; S788-S792 PolarHBondContact O-OG 2.96Å; L789-S792 PolarHBondContact O-N 3.46Å; L789-S792 VanDerWaalsContact O-N 3.17Å; S792-S794 VanDerWaalsContact C-N 3.34Å; S792-S794 PolarHBondContact O-N 2.87Å; S792-T795 WeakPolarHBondContact O-CB 3.5Å; S792-T795 PolarHBondContact O-N 2.83Å; S792-I796 WeakPolarHBondContact O-CG1 3.27Å; S792-I796 PolarHBondContact O-N 2.72Å; S792-S851 WeakPolarHBondContact CA-OG 3.32Å |
| 793 | L | 88.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.2 | -47.5 | 171.7 | 170.7 | 64.8 | 0 | 0 | 0 | 111.4 | L789 P791 T795 I796 L797 L803 V815 L819 L824 | L789-L793 WeakPolarHBondContact O-CB 3.36Å; L789-L793 PolarHBondContact O-N 2.9Å; P791-L793 PolarHBondContact O-N 3.38Å; L793-T795 VanDerWaalsContact C-N 3.3Å; L793-T795 PolarHBondContact O-N 2.95Å; L793-I796 WeakPolarHBondContact O-CB 3.35Å; L793-I796 PolarHBondContact O-N 2.87Å; L793-I796 VanDerWaalsContact O-N 3.16Å; L793-L797 HydrophobicContact CD1-CD1 4.23Å; L793-L797 HydrophobicContact CD1-CG 4.25Å; L793-L797 HydrophobicContact CG-CD1 4.22Å; L793-L797 WeakPolarHBondContact O-CG 3.37Å; L793-L797 PolarHBondContact O-N 3.11Å; L793-L803 HydrophobicContact CD1-CD1 4.17Å; L793-L803 HydrophobicContact CD1-CD2 3.28Å; L793-L803 HydrophobicContact CD1-CG 3.91Å; L793-V815 HydrophobicContact CD1-CG1 3.88Å; L793-V815 HydrophobicContact CD2-CG1 4.02Å; L793-V815 HydrophobicContact CG-CG1 4.44Å; L793-L819 HydrophobicContact CD2-CB 3.93Å; L793-L819 HydrophobicContact CD2-CD1 4.36Å; L793-L819 HydrophobicContact CD2-CG 4.14Å; L793-L824 HydrophobicContact CB-CD2 4.4Å; L793-L824 HydrophobicContact CD2-CD1 4.18Å; L793-L824 HydrophobicContact CD2-CD2 4Å |
| 794 | S | 79.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 179.2 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | A790 P791 S792 I796 L797 V798 | A790-S794 PolarHBondContact O-N 3.26Å; A790-S794 PolarHBondContact O-OG 3.29Å; P791-S794 WeakPolarHBondContact O-CB 3.47Å; P791-S794 PolarHBondContact O-N 2.72Å; P791-S794 VanDerWaalsContact O-N 3.12Å; S792-S794 VanDerWaalsContact C-N 3.34Å; S792-S794 PolarHBondContact O-N 2.87Å; S794-I796 PolarHBondContact O-N 3.47Å; S794-L797 PolarHBondContact O-N 2.78Å; S794-V798 VanDerWaalsContact O-CB 3.28Å; S794-V798 WeakPolarHBondContact O-CB 3.4Å; S794-V798 WeakPolarHBondContact O-CG2 3.41Å; S794-V798 PolarHBondContact O-N 2.9Å |
| 795 | T | 78.1 | Confident | 82 | Confident | 27 Ų | 27 | 13.7 Ų | 13.7 | 17% | 0.166 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | P791 S792 L793 V798 C799 | P791-T795 PolarHBondContact O-N 3.25Å; P791-T795 PolarHBondContact O-OG1 3.37Å; S792-T795 WeakPolarHBondContact O-CB 3.5Å; S792-T795 PolarHBondContact O-N 2.83Å; L793-T795 VanDerWaalsContact C-N 3.3Å; L793-T795 PolarHBondContact O-N 2.95Å; T795-V798 PolarHBondContact O-N 3.38Å; T795-C799 PolarHBondContact O-N 3.06Å; T795-C799 PolarHBondContact O-SG 3.25Å; T795-C799 VanDerWaalsContact O-SG 3.38Å |
| 796 | I | 88.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.5 | -51.2 | 177 | -63.9 | 167.7 | 0 | 0 | 0 | 110.5 | S792 L793 S794 V798 C799 K801 L803 I847 V850 L854 I867 F869 | S792-I796 WeakPolarHBondContact O-CG1 3.27Å; S792-I796 PolarHBondContact O-N 2.72Å; L793-I796 WeakPolarHBondContact O-CB 3.35Å; L793-I796 PolarHBondContact O-N 2.87Å; L793-I796 VanDerWaalsContact O-N 3.16Å; S794-I796 PolarHBondContact O-N 3.47Å; I796-V798 VanDerWaalsContact C-N 3.27Å; I796-V798 PolarHBondContact O-N 3.29Å; I796-C799 PolarHBondContact O-N 3.5Å; I796-K801 HydrophobicContact CG2-CB 3.96Å; I796-K801 WeakPolarHBondContact O-CB 3.4Å; I796-K801 PolarHBondContact O-N 2.95Å; I796-L803 HydrophobicContact CB-CD2 4.43Å; I796-L803 HydrophobicContact CD1-CD2 4.05Å; I796-L803 HydrophobicContact CG2-CD2 4.01Å; I796-I847 HydrophobicContact CD1-CG2 4.32Å; I796-V850 HydrophobicContact CD1-CB 4.24Å; I796-V850 HydrophobicContact CD1-CG1 3.85Å; I796-V850 HydrophobicContact CG1-CG1 4.03Å; I796-L854 HydrophobicContact CB-CD1 4.18Å; I796-L854 HydrophobicContact CG1-CD1 3.92Å; I796-L854 HydrophobicContact CG2-CD1 4.07Å; I796-I867 HydrophobicContact CG2-CD1 4.16Å; I796-F869 HydrophobicContact CD1-CZ 4.41Å |
| 797 | L | 82.5 | Confident | 82.9 | Confident | 16 Ų | 16 | 12.6 Ų | 12.6 | 8% | 0.084 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.6 | -41.8 | -177.9 | -66.5 | 176.1 | 0 | 0 | 0 | 112.5 | L793 S794 G800 K801 V815 K817 P818 | L793-L797 HydrophobicContact CD1-CD1 4.23Å; L793-L797 HydrophobicContact CD1-CG 4.25Å; L793-L797 HydrophobicContact CG-CD1 4.22Å; L793-L797 WeakPolarHBondContact O-CG 3.37Å; L793-L797 PolarHBondContact O-N 3.11Å; S794-L797 PolarHBondContact O-N 2.78Å; L797-G800 PolarHBondContact O-N 2.88Å; L797-G800 VanDerWaalsContact O-N 3.09Å; L797-K801 VanDerWaalsContact CA-O 3.24Å; L797-K801 WeakPolarHBondContact CA-O 3.44Å; L797-V815 HydrophobicContact CD1-CG1 4.43Å; L797-V815 VanDerWaalsContact CD2-O 3.23Å; L797-V815 WeakPolarHBondContact CD2-O 3.25Å; L797-K817 WeakPolarHBondContact CD1-O 3.35Å; L797-P818 HydrophobicContact CD1-CB 4.36Å; L797-P818 HydrophobicContact CD1-CG 3.94Å; L797-P818 VanDerWaalsContact CD1-N 3.27Å |
| 798 | V | 70.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 10.7 Ų | 10.7 | 2% | 0.024 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -79.3 | -25.1 | -174.1 | 167.6 | 0 | 0 | 0 | 0 | 112.4 | L203 I247 N250 L251 S794 T795 I796 G800 | L203-V798 HydrophobicContact CD1-CG2 4.47Å; I247-V798 HydrophobicContact CB-CG1 4.05Å; I247-V798 HydrophobicContact CB-CG2 4.25Å; I247-V798 HydrophobicContact CD1-CB 3.75Å; I247-V798 HydrophobicContact CD1-CG1 3.8Å; I247-V798 HydrophobicContact CD1-CG2 3.76Å; I247-V798 HydrophobicContact CG1-CB 4.48Å; I247-V798 HydrophobicContact CG1-CG1 4.35Å; I247-V798 HydrophobicContact CG1-CG2 4.05Å; I247-V798 HydrophobicContact CG2-CB 4.38Å; I247-V798 HydrophobicContact CG2-CG1 3.92Å; I247-V798 HydrophobicContact CG2-CG2 3.65Å; I247-V798 WeakPolarHBondContact O-CG1 3.46Å; N250-V798 HydrophobicContact CB-CG1 3.27Å; L251-V798 HydrophobicContact CG-CG1 4.25Å; S794-V798 VanDerWaalsContact O-CB 3.28Å; S794-V798 WeakPolarHBondContact O-CB 3.4Å; S794-V798 WeakPolarHBondContact O-CG2 3.41Å; S794-V798 PolarHBondContact O-N 2.9Å; T795-V798 PolarHBondContact O-N 3.38Å; I796-V798 VanDerWaalsContact C-N 3.27Å; I796-V798 PolarHBondContact O-N 3.29Å; V798-G800 PolarHBondContact O-N 3.49Å |
| 799 | C | 76.6 | Confident | 83.7 | Confident | 16 Ų | 16 | 12.1 Ų | 12.1 | 11% | 0.108 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 4.2 | 164.7 | -76.1 | 0 | 0 | 0 | 0 | 113.6 | T795 I796 K801 L854 | T795-C799 PolarHBondContact O-N 3.06Å; T795-C799 PolarHBondContact O-SG 3.25Å; T795-C799 VanDerWaalsContact O-SG 3.38Å; I796-C799 PolarHBondContact O-N 3.5Å; C799-K801 HydrophobicContact CB-CG 4.42Å; C799-L854 HydrophobicContact CB-CD1 4.34Å; C799-L854 HydrophobicContact CB-CD2 4.33Å |
| 800 | G | 76.5 | Confident | 83.7 | Confident | 15 Ų | 15 | 14.3 Ų | 14.3 | 16% | 0.155 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 25.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L797 V798 | L797-G800 PolarHBondContact O-N 2.88Å; L797-G800 VanDerWaalsContact O-N 3.09Å; V798-G800 PolarHBondContact O-N 3.49Å |
| 801 | K | 85.2 | Confident | 83.7 | Confident | 15 Ų | 15 | 17 Ų | 17 | 7% | 0.065 | 11% | 0.105 | C | C | . | . | trans | -106.2 | 146.6 | 173.8 | -50.7 | -59.4 | -177.7 | 177 | 0 | 108.5 | I796 L797 C799 L854 F861 I864 K865 I867 | I796-K801 HydrophobicContact CG2-CB 3.96Å; I796-K801 WeakPolarHBondContact O-CB 3.4Å; I796-K801 PolarHBondContact O-N 2.95Å; L797-K801 VanDerWaalsContact CA-O 3.24Å; L797-K801 WeakPolarHBondContact CA-O 3.44Å; C799-K801 HydrophobicContact CB-CG 4.42Å; K801-L854 HydrophobicContact CG-CD1 4.19Å; K801-L854 HydrophobicContact CG-CD2 4.11Å; K801-F861 PolarHBondContact NZ-O 3.37Å; K801-I864 WeakPolarHBondContact CD-O 3.32Å; K801-I864 WeakPolarHBondContact CE-O 3.2Å; K801-I864 PolarHBondContact NZ-O 2.91Å; K801-K865 CarbonylContact C-O 3.56Å; K801-K865 VanDerWaalsContact CA-O 3.31Å; K801-K865 WeakPolarHBondContact CA-O 3.04Å; K801-I867 HydrophobicContact CB-CD1 4.21Å; K801-I867 HydrophobicContact CG-CD1 4.36Å | ||
| 802 | Q | 86.8 | Confident | 84.4 | Confident | 12 Ų | 12 | 17 Ų | 17 | 6% | 0.056 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 164.9 | 163.9 | -61.3 | -157.8 | 10.3 | 0 | 0 | 109.1 | K865 F866 I867 D1108 | Q802-K865 PolarHBondContact N-O 2.83Å; Q802-F866 HydrophobicContact CB-CD1 3.77Å; Q802-F866 HydrophobicContact CB-CD2 4.19Å; Q802-F866 HydrophobicContact CB-CE1 3.59Å; Q802-F866 HydrophobicContact CB-CE2 4.03Å; Q802-F866 HydrophobicContact CB-CG 4.08Å; Q802-F866 HydrophobicContact CB-CZ 3.75Å; Q802-F866 HydrophobicContact CG-CE1 4.32Å; Q802-F866 HydrophobicContact CG-CE2 4.22Å; Q802-F866 HydrophobicContact CG-CZ 4Å; Q802-F866 CarbonylContact O-C 3.52Å; Q802-F866 WeakPolarHBondContact O-CA 3.37Å; Q802-I867 PolarHBondContact O-N 2.58Å; Q802-D1108 PolarHBondContact NE2-OD1 3.47Å; Q802-D1108 PolarHBondContact NE2-OD2 3.46Å; Q802-D1108 PolarHBondContact OE1-OD1 2.72Å |
| 803 | L | 92.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.9 | 174.5 | 67.4 | 82.2 | 0 | 0 | 0 | 112.2 | L793 I796 V805 V815 I867 F869 | L793-L803 HydrophobicContact CD1-CD1 4.17Å; L793-L803 HydrophobicContact CD1-CD2 3.28Å; L793-L803 HydrophobicContact CD1-CG 3.91Å; I796-L803 HydrophobicContact CB-CD2 4.43Å; I796-L803 HydrophobicContact CD1-CD2 4.05Å; I796-L803 HydrophobicContact CG2-CD2 4.01Å; L803-V805 HydrophobicContact CD1-CG2 3.68Å; L803-V815 HydrophobicContact CD1-CB 3.67Å; L803-V815 HydrophobicContact CD1-CG2 3.68Å; L803-V815 HydrophobicContact CG-CB 4.14Å; L803-V815 PolarHBondContact O-N 3.12Å; L803-I867 WeakPolarHBondContact CA-O 3.34Å; L803-I867 HydrophobicContact CB-CB 4.34Å; L803-I867 VanDerWaalsContact CB-O 3.29Å; L803-I867 WeakPolarHBondContact CB-O 3.28Å; L803-F869 HydrophobicContact CB-CD2 4.48Å; L803-F869 HydrophobicContact CB-CE2 4.03Å; L803-F869 HydrophobicContact CD1-CD2 4.07Å; L803-F869 HydrophobicContact CD1-CE2 3.72Å; L803-F869 HydrophobicContact CD2-CE2 3.55Å; L803-F869 HydrophobicContact CD2-CZ 3.95Å; L803-F869 HydrophobicContact CG-CE2 3.98Å |
| 804 | T | 92.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.2 | 168.1 | 62.2 | 0 | 0 | 0 | 0 | 110.2 | E812 V813 V814 F866 I867 R868 F869 | T804-E812 WeakPolarHBondContact CB-OE2 3.41Å; T804-E812 HydrophobicContact CG2-CB 4.44Å; T804-E812 PolarHBondContact OG1-OE2 2.91Å; T804-V813 VanDerWaalsContact CA-O 3.24Å; T804-V813 WeakPolarHBondContact CA-O 3.28Å; T804-V814 HydrophobicContact CG2-CG2 3.94Å; T804-F866 HydrophobicContact CG2-CD1 4.46Å; T804-I867 PolarHBondContact N-O 3.05Å; T804-I867 VanDerWaalsContact N-O 3.09Å; T804-R868 HydrophobicContact CG2-CG 4.45Å; T804-R868 WeakPolarHBondContact OG1-CA 3.32Å; T804-R868 WeakPolarHBondContact OG1-CB 3.29Å; T804-R868 WeakPolarHBondContact OG1-CG 3.4Å; T804-F869 WeakPolarHBondContact O-CD2 3.29Å; T804-F869 PolarHBondContact O-N 2.95Å; T804-F869 VanDerWaalsContact O-N 3.1Å |
| 805 | V | 94.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 134.1 | 171.8 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | L803 V813 V815 L827 L828 V832 F869 | L803-V805 HydrophobicContact CD1-CG2 3.68Å; V805-V813 PolarHBondContact N-O 3.42Å; V805-V813 PolarHBondContact O-N 3.01Å; V805-V815 HydrophobicContact CG2-CG2 4.07Å; V805-L827 HydrophobicContact CB-CD2 3.96Å; V805-L827 HydrophobicContact CB-CG 4.16Å; V805-L827 HydrophobicContact CG1-CD2 4.39Å; V805-L827 HydrophobicContact CG1-CG 4.13Å; V805-L827 HydrophobicContact CG2-CD2 3.88Å; V805-L828 HydrophobicContact CG1-CD2 3.61Å; V805-L828 HydrophobicContact CG1-CG 4.23Å; V805-V832 HydrophobicContact CG1-CG2 3.59Å; V805-F869 HydrophobicContact CG2-CD2 4.46Å |
| 806 | G | 92.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.7 | 179.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | Q843 G870 | G806-Q843 PolarHBondContact O-NE2 3.05Å; G806-G870 WeakPolarHBondContact O-CA 3.34Å |
| 807 | I | 89.6 | Confident | 84.6 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 8% | 0.082 | 17% | 0.165 | C | C | . | . | trans | -102.2 | 146 | 176.9 | -53.9 | -149.7 | 0 | 0 | 0 | 109.8 | Q809 S810 V832 Y835 D836 | I807-Q809 PolarHBondContact O-N 3.24Å; I807-S810 PolarHBondContact O-N 3.03Å; I807-S810 VanDerWaalsContact O-N 3.07Å; I807-V832 HydrophobicContact CD1-CG1 4.5Å; I807-V832 HydrophobicContact CG1-CG1 4.46Å; I807-Y835 HydrophobicContact CD1-CG 4.34Å; I807-D836 HydrophobicContact CD1-CB 3.61Å | ||
| 808 | S | 84.5 | Confident | 84.6 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 133.5 | 173.2 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | S810 E874 | S808-S810 PolarHBondContact O-N 3.23Å; S808-E874 WeakPolarHBondContact OG-CG 3.41Å; S808-E874 PolarHBondContact OG-OE1 3.48Å |
| 809 | Q | 79.3 | Confident | 85.2 | Confident | 74 Ų | 74 | 30 Ų | 30 | 35% | 0.346 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 4 | -177.7 | -52 | 159.2 | 22.7 | 0 | 0 | 116.6 | I807 W871 C1118 S1184 W1185 | I807-Q809 PolarHBondContact O-N 3.24Å; Q809-W871 HydrophobicContact CG-CH2 4.06Å; Q809-W871 HydrophobicContact CG-CZ2 4.35Å; Q809-C1118 HydrophobicContact CG-CB 4.45Å; Q809-S1184 VanDerWaalsContact NE2-C 3.35Å; Q809-S1184 PolarHBondContact NE2-O 3.45Å; Q809-S1184 PolarHBondContact OE1-O 3.42Å; Q809-W1185 VanDerWaalsContact NE2-CA 3.33Å |
| 810 | S | 82.1 | Confident | 85.3 | Confident | 47 Ų | 47 | 30.4 Ų | 30.4 | 33% | 0.329 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -104.2 | -172.3 | 168.9 | -58 | 0 | 0 | 0 | 0 | 110 | I807 S808 E812 | I807-S810 PolarHBondContact O-N 3.03Å; I807-S810 VanDerWaalsContact O-N 3.07Å; S808-S810 PolarHBondContact O-N 3.23Å; S810-E812 PolarHBondContact O-N 2.85Å |
| 811 | S | 80.8 | Confident | 85.5 | Confident | 56 Ų | 56 | 32 Ų | 32 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | trans | -59.6 | 137.8 | 169.9 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | E831 | S811-E831 PolarHBondContact OG-OE2 3.14Š| ||
| 812 | E | 87.7 | Confident | 85.5 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.3 | 170.6 | -80.2 | 176.9 | -130.7 | 0 | 0 | 108.3 | T804 S810 R868 W871 | T804-E812 WeakPolarHBondContact CB-OE2 3.41Å; T804-E812 HydrophobicContact CG2-CB 4.44Å; T804-E812 PolarHBondContact OG1-OE2 2.91Å; S810-E812 PolarHBondContact O-N 2.85Å; E812-R868 IonicContact OE1-CZ 2.73Å; E812-R868 IonicContact OE1-NE 2.87Å; E812-R868 PolarHBondContact OE1-NE 2.86Å; E812-R868 IonicContact OE1-NH2 3.58Å; E812-R868 PolarHBondContact OE1-NH2 2.83Å; E812-R868 IonicContact OE2-CZ 3.71Å; E812-R868 IonicContact OE2-NE 3.79Å; E812-R868 PolarHBondContact OE2-NE 2.77Å; E812-R868 IonicContact OE2-NH2 3.49Å; E812-R868 PolarHBondContact OE2-NH2 2.87Å; E812-W871 PolarHBondContact OE1-NE1 3.23Å |
| 813 | V | 91.9 | Very high | 85.6 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.5 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | T804 V805 L827 E831 | T804-V813 VanDerWaalsContact CA-O 3.24Å; T804-V813 WeakPolarHBondContact CA-O 3.28Å; V805-V813 PolarHBondContact N-O 3.42Å; V805-V813 PolarHBondContact O-N 3.01Å; V813-L827 HydrophobicContact CB-CD1 3.79Å; V813-L827 HydrophobicContact CG1-CD1 3.69Å; V813-L827 HydrophobicContact CG2-CD1 4.11Å; V813-E831 HydrophobicContact CB-CG 4.37Å; V813-E831 VanDerWaalsContact CG2-CD 3.49Å; V813-E831 HydrophobicContact CG2-CG 3.62Å |
| 814 | V | 88.9 | Confident | 85.5 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 24% | 0.242 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.4 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | T804 N816 F866 R1115 | T804-V814 HydrophobicContact CG2-CG2 3.94Å; V814-N816 HydrophobicContact CG1-CB 4.09Å; V814-F866 HydrophobicContact CG1-CE1 3.96Å; V814-F866 HydrophobicContact CG2-CE1 4.43Å; V814-R1115 VanDerWaalsContact CG2-NH2 3.3Å |
| 815 | V | 88.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 103 | 167.5 | -172 | 0 | 0 | 0 | 0 | 107.6 | L793 L797 L803 V805 K817 L819 L827 | L793-V815 HydrophobicContact CD1-CG1 3.88Å; L793-V815 HydrophobicContact CD2-CG1 4.02Å; L793-V815 HydrophobicContact CG-CG1 4.44Å; L797-V815 HydrophobicContact CD1-CG1 4.43Å; L797-V815 VanDerWaalsContact CD2-O 3.23Å; L797-V815 WeakPolarHBondContact CD2-O 3.25Å; L803-V815 HydrophobicContact CD1-CB 3.67Å; L803-V815 HydrophobicContact CD1-CG2 3.68Å; L803-V815 HydrophobicContact CG-CB 4.14Å; L803-V815 PolarHBondContact O-N 3.12Å; V805-V815 HydrophobicContact CG2-CG2 4.07Å; V815-K817 VanDerWaalsContact CG1-O 3.3Å; V815-K817 WeakPolarHBondContact CG1-O 3.45Å; V815-L819 HydrophobicContact CG1-CD1 3.84Å; V815-L819 HydrophobicContact CG1-CG 3.92Å; V815-L819 HydrophobicContact CG2-CD1 4.14Å; V815-L827 HydrophobicContact CG2-CD2 3.52Å |
| 816 | N | 77 | Confident | 85.4 | Confident | 97 Ų | 97 | 44.6 Ų | 44.6 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | trans | -110.9 | -5.7 | 179.7 | 61.6 | -0.4 | 0 | 0 | 0 | 113.1 | V814 | V814-N816 HydrophobicContact CG1-CB 4.09Š| ||
| 817 | K | 77.3 | Confident | 85.5 | Confident | 112 Ų | 112 | 45.6 Ų | 45.6 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -129.7 | 149.6 | 173.8 | 63.7 | 179.4 | -178.4 | 174.9 | 0 | 109.7 | P185 L797 V815 L819 | P185-K817 HydrophobicContact CG-CB 4.36Å; L797-K817 WeakPolarHBondContact CD1-O 3.35Å; V815-K817 VanDerWaalsContact CG1-O 3.3Å; V815-K817 WeakPolarHBondContact CG1-O 3.45Å; K817-L819 HydrophobicContact CG-CD2 4.44Å; K817-L819 PolarHBondContact O-N 2.74Å |
| 818 | P | 81 | Confident | 85.7 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.071 | 25% | 0.248 | C | C | . | . | trans | -56.9 | 138.2 | 172 | -27.6 | 38 | 0 | 0 | 0 | 110.9 | R183 L203 L797 | R183-P818 HydrophobicContact CB-CB 3.62Å; R183-P818 HydrophobicContact CB-CG 4.19Å; L203-P818 HydrophobicContact CD1-CG 3.78Å; L797-P818 HydrophobicContact CD1-CB 4.36Å; L797-P818 HydrophobicContact CD1-CG 3.94Å; L797-P818 VanDerWaalsContact CD1-N 3.27Å | ||
| 819 | L | 83.6 | Confident | 86.1 | Confident | 20 Ų | 20 | 47.3 Ų | 47.3 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | trans | -105 | 148.9 | 175.9 | -60 | 178.2 | 0 | 0 | 0 | 109.7 | L793 V815 K817 E823 L824 L827 | L793-L819 HydrophobicContact CD2-CB 3.93Å; L793-L819 HydrophobicContact CD2-CD1 4.36Å; L793-L819 HydrophobicContact CD2-CG 4.14Å; V815-L819 HydrophobicContact CG1-CD1 3.84Å; V815-L819 HydrophobicContact CG1-CG 3.92Å; V815-L819 HydrophobicContact CG2-CD1 4.14Å; K817-L819 HydrophobicContact CG-CD2 4.44Å; K817-L819 PolarHBondContact O-N 2.74Å; L819-E823 WeakPolarHBondContact CA-OE2 3.46Å; L819-E823 HydrophobicContact CB-CB 4.06Å; L819-E823 HydrophobicContact CD2-CB 4.42Å; L819-L824 HydrophobicContact CB-CB 4.2Å; L819-L824 HydrophobicContact CD1-CD1 4.39Å; L819-L827 HydrophobicContact CD1-CD2 3.78Å | ||
| 820 | N | 79.4 | Confident | 86.8 | Confident | 25 Ų | 25 | 49.6 Ų | 49.6 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | trans | -72.3 | 163.6 | 166.7 | 75.5 | 51.2 | 0 | 0 | 0 | 110.5 | D822 E823 L824 | N820-D822 VanDerWaalsContact C-N 3.27Å; N820-D822 PolarHBondContact O-N 3.15Å; N820-D822 PolarHBondContact OD1-N 3.05Å; N820-E823 PolarHBondContact N-OE2 2.9Å; N820-E823 WeakPolarHBondContact ND2-CG 3.38Å; N820-E823 PolarHBondContact ND2-OE1 3.25Å; N820-E823 PolarHBondContact ND2-OE2 3.15Å; N820-E823 PolarHBondContact O-N 2.78Å; N820-E823 PolarHBondContact OD1-N 3.11Å; N820-L824 PolarHBondContact O-N 3.01Å | ||
| 821 | P | 81.4 | Confident | 87.3 | Confident | 47 Ų | 47 | 49 Ų | 49 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.6 | -39.5 | -177.9 | -28.4 | 35.9 | 0 | 0 | 0 | 114 | F785 A790 L824 H825 | F785-P821 HydrophobicContact CE1-CB 4.15Å; A790-P821 HydrophobicContact CB-CG 4.05Å; P821-L824 PolarHBondContact O-N 3.4Å; P821-H825 WeakPolarHBondContact O-CB 3.45Å; P821-H825 PolarHBondContact O-N 3.1Å |
| 822 | D | 84.1 | Confident | 88 | Confident | 128 Ų | 128 | 46.3 Ų | 46.3 | 68% | 0.684 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -71.4 | -42.8 | -176.7 | -55.7 | -35.4 | 0 | 0 | 0 | 110.8 | N820 H825 A826 | N820-D822 VanDerWaalsContact C-N 3.27Å; N820-D822 PolarHBondContact O-N 3.15Å; N820-D822 PolarHBondContact OD1-N 3.05Å; D822-H825 PolarHBondContact O-N 3.1Å; D822-A826 WeakPolarHBondContact O-CB 3.29Å; D822-A826 PolarHBondContact O-N 3.2Å |
| 823 | E | 88.8 | Confident | 88.3 | Confident | 86 Ų | 86 | 47.3 Ų | 47.3 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 173.1 | -74 | 169.5 | 165.9 | 0 | 0 | 111.9 | L819 N820 A826 L827 | L819-E823 WeakPolarHBondContact CA-OE2 3.46Å; L819-E823 HydrophobicContact CB-CB 4.06Å; L819-E823 HydrophobicContact CD2-CB 4.42Å; N820-E823 PolarHBondContact N-OE2 2.9Å; N820-E823 WeakPolarHBondContact ND2-CG 3.38Å; N820-E823 PolarHBondContact ND2-OE1 3.25Å; N820-E823 PolarHBondContact ND2-OE2 3.15Å; N820-E823 PolarHBondContact O-N 2.78Å; N820-E823 PolarHBondContact OD1-N 3.11Å; E823-A826 PolarHBondContact O-N 3.22Å; E823-L827 VanDerWaalsContact O-CB 3.32Å; E823-L827 WeakPolarHBondContact O-CB 3.29Å; E823-L827 PolarHBondContact O-N 2.73Å |
| 824 | L | 90.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 178.8 | 179.8 | 57.3 | 0 | 0 | 0 | 111.7 | F785 L789 L793 L819 N820 P821 L828 | F785-L824 HydrophobicContact CE2-CG 4.28Å; F785-L824 HydrophobicContact CZ-CB 4.07Å; F785-L824 HydrophobicContact CZ-CD2 4.01Å; F785-L824 HydrophobicContact CZ-CG 3.89Å; L789-L824 HydrophobicContact CB-CD2 3.82Å; L793-L824 HydrophobicContact CB-CD2 4.4Å; L793-L824 HydrophobicContact CD2-CD1 4.18Å; L793-L824 HydrophobicContact CD2-CD2 4Å; L819-L824 HydrophobicContact CB-CB 4.2Å; L819-L824 HydrophobicContact CD1-CD1 4.39Å; N820-L824 PolarHBondContact O-N 3.01Å; P821-L824 PolarHBondContact O-N 3.4Å; L824-L828 HydrophobicContact CD1-CD1 4.18Å; L824-L828 HydrophobicContact CD1-CG 4.39Å; L824-L828 HydrophobicContact CG-CD1 4.22Å; L824-L828 WeakPolarHBondContact O-CG 3.38Å; L824-L828 PolarHBondContact O-N 3.3Å |
| 825 | H | 91.3 | Very high | 88.1 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 18% | 0.181 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.5 | -48 | 174.3 | -177 | 89.1 | 0 | 0 | 0 | 111.2 | F785 P821 D822 L827 L828 R829 F840 | F785-H825 HydrophobicContact CD2-CB 3.88Å; F785-H825 AromaticContact CD2-CG 3.99Å; F785-H825 AromaticContact CD2-ND1 3.3Å; F785-H825 VanDerWaalsContact CD2-ND1 3.3Å; F785-H825 WeakPolarHBondContact CD2-ND1 3.45Å; F785-H825 HydrophobicContact CE2-CB 3.79Å; F785-H825 HydrophobicContact CG-CB 4.29Å; F785-H825 AromaticContact CG-ND1 3.58Å; F785-H825 HydrophobicContact CZ-CB 4.16Å; P821-H825 WeakPolarHBondContact O-CB 3.45Å; P821-H825 PolarHBondContact O-N 3.1Å; D822-H825 PolarHBondContact O-N 3.1Å; H825-L827 VanDerWaalsContact C-N 3.34Å; H825-L827 PolarHBondContact O-N 2.95Å; H825-L828 PolarHBondContact O-N 3.41Å; H825-R829 VanDerWaalsContact O-CB 3.28Å; H825-R829 WeakPolarHBondContact O-CB 3.36Å; H825-R829 PolarHBondContact O-N 3.34Å; H825-F840 AromaticContact CE1-CZ 3.95Å |
| 826 | A | 93 | Very high | 88.2 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D822 E823 L828 R829 E830 | D822-A826 WeakPolarHBondContact O-CB 3.29Å; D822-A826 PolarHBondContact O-N 3.2Å; E823-A826 PolarHBondContact O-N 3.22Å; A826-L828 PolarHBondContact O-N 2.82Å; A826-R829 WeakPolarHBondContact O-CB 3.23Å; A826-R829 PolarHBondContact O-N 3.02Å; A826-R829 VanDerWaalsContact O-N 3.11Å; A826-E830 WeakPolarHBondContact O-CB 3.46Å; A826-E830 WeakPolarHBondContact O-CG 3.33Å; A826-E830 PolarHBondContact O-N 3.14Å |
| 827 | L | 94.1 | Very high | 88.9 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 177.7 | 179.9 | 65.4 | 0 | 0 | 0 | 112.7 | V805 V813 V815 L819 E823 H825 R829 E830 E831 | V805-L827 HydrophobicContact CB-CD2 3.96Å; V805-L827 HydrophobicContact CB-CG 4.16Å; V805-L827 HydrophobicContact CG1-CD2 4.39Å; V805-L827 HydrophobicContact CG1-CG 4.13Å; V805-L827 HydrophobicContact CG2-CD2 3.88Å; V813-L827 HydrophobicContact CB-CD1 3.79Å; V813-L827 HydrophobicContact CG1-CD1 3.69Å; V813-L827 HydrophobicContact CG2-CD1 4.11Å; V815-L827 HydrophobicContact CG2-CD2 3.52Å; L819-L827 HydrophobicContact CD1-CD2 3.78Å; E823-L827 VanDerWaalsContact O-CB 3.32Å; E823-L827 WeakPolarHBondContact O-CB 3.29Å; E823-L827 PolarHBondContact O-N 2.73Å; H825-L827 VanDerWaalsContact C-N 3.34Å; H825-L827 PolarHBondContact O-N 2.95Å; L827-R829 VanDerWaalsContact C-N 3.27Å; L827-R829 PolarHBondContact O-N 2.62Å; L827-E830 PolarHBondContact O-N 3.43Å; L827-E831 HydrophobicContact CD1-CG 3.79Å; L827-E831 WeakPolarHBondContact O-CB 3.45Å; L827-E831 PolarHBondContact O-N 3.07Å |
| 828 | L | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -34.3 | 177.6 | -77.4 | 165.1 | 0 | 0 | 0 | 111.7 | F785 V805 L824 H825 A826 V832 Y833 F840 Q843 Q844 I847 | F785-L828 HydrophobicContact CE2-CD1 4Å; V805-L828 HydrophobicContact CG1-CD2 3.61Å; V805-L828 HydrophobicContact CG1-CG 4.23Å; L824-L828 HydrophobicContact CD1-CD1 4.18Å; L824-L828 HydrophobicContact CD1-CG 4.39Å; L824-L828 HydrophobicContact CG-CD1 4.22Å; L824-L828 WeakPolarHBondContact O-CG 3.38Å; L824-L828 PolarHBondContact O-N 3.3Å; H825-L828 PolarHBondContact O-N 3.41Å; A826-L828 PolarHBondContact O-N 2.82Å; L828-V832 HydrophobicContact CD2-CG2 4.03Å; L828-V832 WeakPolarHBondContact O-CA 3.24Å; L828-V832 VanDerWaalsContact O-CB 3.27Å; L828-V832 WeakPolarHBondContact O-CB 3.47Å; L828-V832 PolarHBondContact O-N 3.31Å; L828-V832 VanDerWaalsContact O-N 3.11Å; L828-Y833 PolarHBondContact O-N 3.4Å; L828-F840 HydrophobicContact CB-CD2 3.86Å; L828-F840 HydrophobicContact CB-CE2 3.65Å; L828-Q843 HydrophobicContact CD2-CB 4.11Å; L828-Q844 HydrophobicContact CD1-CG 4.01Å; L828-I847 HydrophobicContact CD1-CD1 4.44Å |
| 829 | R | 93.6 | Very high | 90.3 | Very high | 66 Ų | 66 | 45 Ų | 45 | 25% | 0.249 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -70.1 | -43.7 | 178.9 | -178.8 | 143.9 | -82.3 | -171.4 | -11.6 | 111.9 | A780 S783 H825 A826 L827 Y833 S834 F840 | A780-R829 PolarHBondContact O-NH2 3.14Å; S783-R829 VanDerWaalsContact CB-NH1 3.31Å; S783-R829 VanDerWaalsContact CB-NH2 3.29Å; S783-R829 VanDerWaalsContact OG-CZ 3.25Å; S783-R829 PolarHBondContact OG-NH1 3.32Å; S783-R829 PolarHBondContact OG-NH2 3.15Å; H825-R829 VanDerWaalsContact O-CB 3.28Å; H825-R829 WeakPolarHBondContact O-CB 3.36Å; H825-R829 PolarHBondContact O-N 3.34Å; A826-R829 WeakPolarHBondContact O-CB 3.23Å; A826-R829 PolarHBondContact O-N 3.02Å; A826-R829 VanDerWaalsContact O-N 3.11Å; L827-R829 VanDerWaalsContact C-N 3.27Å; L827-R829 PolarHBondContact O-N 2.62Å; R829-Y833 WeakPolarHBondContact O-CB 3.14Å; R829-S834 PolarHBondContact O-N 2.82Å; R829-S834 PolarHBondContact O-OG 3.44Å; R829-S834 VanDerWaalsContact O-OG 3.13Å; R829-F840 HydrophobicContact CB-CE2 4.46Å |
| 830 | E | 93.3 | Very high | 90.8 | Very high | 121 Ų | 121 | 44 Ų | 44 | 57% | 0.565 | 23% | 0.225 | S | C | * | . | I | π-helix | trans | -72.1 | -51 | -179.4 | -70.6 | 171.2 | -173.7 | 0 | 0 | 111.5 | A826 L827 S834 | A826-E830 WeakPolarHBondContact O-CB 3.46Å; A826-E830 WeakPolarHBondContact O-CG 3.33Å; A826-E830 PolarHBondContact O-N 3.14Å; L827-E830 PolarHBondContact O-N 3.43Å; E830-S834 WeakPolarHBondContact O-CB 3.28Å; E830-S834 PolarHBondContact O-OG 3.03Å |
| 831 | E | 94 | Very high | 91.4 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -91.2 | -16.8 | -169.1 | -59.7 | -63 | 143.1 | 0 | 0 | 114.6 | S811 V813 L827 Y835 | S811-E831 PolarHBondContact OG-OE2 3.14Å; V813-E831 HydrophobicContact CB-CG 4.37Å; V813-E831 VanDerWaalsContact CG2-CD 3.49Å; V813-E831 HydrophobicContact CG2-CG 3.62Å; L827-E831 HydrophobicContact CD1-CG 3.79Å; L827-E831 WeakPolarHBondContact O-CB 3.45Å; L827-E831 PolarHBondContact O-N 3.07Å; E831-Y835 WeakPolarHBondContact O-CD2 3.04Å |
| 832 | V | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -120.4 | -56.8 | -176.9 | -171 | 0 | 0 | 0 | 0 | 111.9 | V805 I807 L828 S834 Y835 D836 Q839 Q843 | V805-V832 HydrophobicContact CG1-CG2 3.59Å; I807-V832 HydrophobicContact CD1-CG1 4.5Å; I807-V832 HydrophobicContact CG1-CG1 4.46Å; L828-V832 HydrophobicContact CD2-CG2 4.03Å; L828-V832 WeakPolarHBondContact O-CA 3.24Å; L828-V832 VanDerWaalsContact O-CB 3.27Å; L828-V832 WeakPolarHBondContact O-CB 3.47Å; L828-V832 PolarHBondContact O-N 3.31Å; L828-V832 VanDerWaalsContact O-N 3.11Å; V832-S834 VanDerWaalsContact C-N 3.28Å; V832-S834 PolarHBondContact O-N 3.48Å; V832-Y835 PolarHBondContact O-N 2.89Å; V832-Y835 VanDerWaalsContact O-N 3.08Å; V832-D836 PolarHBondContact O-N 2.87Å; V832-Q839 HydrophobicContact CG1-CB 3.63Å; V832-Q843 HydrophobicContact CG1-CG 4.43Å |
| 833 | Y | 93.1 | Very high | 92.6 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 20% | 0.2 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -59.2 | -38.6 | -175.6 | 173.1 | -89.9 | 0 | 0 | 0 | 112.6 | A780 L828 R829 Y835 P837 F840 | A780-Y833 HydrophobicContact CB-CD2 4.19Å; A780-Y833 HydrophobicContact CB-CE2 4.2Å; L828-Y833 PolarHBondContact O-N 3.4Å; R829-Y833 WeakPolarHBondContact O-CB 3.14Å; Y833-Y835 PolarHBondContact O-N 3.44Å; Y833-Y835 VanDerWaalsContact O-N 3.13Å; Y833-P837 HydrophobicContact CD2-CB 3.9Å; Y833-P837 HydrophobicContact CD2-CG 4.29Å; Y833-P837 HydrophobicContact CE2-CB 3.83Å; Y833-P837 HydrophobicContact CE2-CG 4.15Å; Y833-F840 HydrophobicContact CD2-CB 4.32Å; Y833-F840 HydrophobicContact CD2-CG 4.36Å |
| 834 | S | 88.6 | Confident | 92.8 | Very high | 85 Ų | 85 | 30.5 Ų | 30.5 | 59% | 0.594 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.1 | 178.1 | -52 | 0 | 0 | 0 | 0 | 113.9 | R829 E830 V832 | R829-S834 PolarHBondContact O-N 2.82Å; R829-S834 PolarHBondContact O-OG 3.44Å; R829-S834 VanDerWaalsContact O-OG 3.13Å; E830-S834 WeakPolarHBondContact O-CB 3.28Å; E830-S834 PolarHBondContact O-OG 3.03Å; V832-S834 VanDerWaalsContact C-N 3.28Å; V832-S834 PolarHBondContact O-N 3.48Å |
| 835 | Y | 89 | Confident | 92.8 | Very high | 130 Ų | 130 | 30.7 Ų | 30.7 | 51% | 0.51 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -46.6 | -176.8 | -61.9 | -87.1 | 0 | 0 | 0 | 112.1 | I807 E831 V832 Y833 | I807-Y835 HydrophobicContact CD1-CG 4.34Å; E831-Y835 WeakPolarHBondContact O-CD2 3.04Å; V832-Y835 PolarHBondContact O-N 2.89Å; V832-Y835 VanDerWaalsContact O-N 3.08Å; Y833-Y835 PolarHBondContact O-N 3.44Å; Y833-Y835 VanDerWaalsContact O-N 3.13Å |
| 836 | D | 89.9 | Confident | 93 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | trans | -143.9 | 101 | 176.4 | -170.8 | -15.2 | 0 | 0 | 0 | 111.2 | I807 V832 V838 Q839 F840 Y935 | I807-D836 HydrophobicContact CD1-CB 3.61Å; V832-D836 PolarHBondContact O-N 2.87Å; D836-V838 PolarHBondContact O-N 3.08Å; D836-V838 VanDerWaalsContact O-N 3.13Å; D836-V838 WeakPolarHBondContact OD1-CB 3.27Å; D836-V838 PolarHBondContact OD1-N 2.74Å; D836-Q839 HydrophobicContact CB-CB 4.1Å; D836-Q839 HydrophobicContact CB-CG 4.03Å; D836-Q839 PolarHBondContact O-N 2.87Å; D836-Q839 PolarHBondContact OD2-NE2 3.26Å; D836-F840 PolarHBondContact O-N 3.23Å; D836-Y935 WeakPolarHBondContact OD2-CE2 3.37Å; D836-Y935 PolarHBondContact OD2-OH 3.48Å | ||
| 837 | P | 92.5 | Very high | 93 | Very high | 26 Ų | 26 | 27 Ų | 27 | 17% | 0.169 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.4 | -25.8 | 178.7 | -27.7 | 35.6 | 0 | 0 | 0 | 114.3 | L777 A780 Y833 F840 | L777-P837 HydrophobicContact CD1-CB 3.71Å; A780-P837 HydrophobicContact CB-CB 4.3Å; A780-P837 WeakPolarHBondContact CB-O 3.35Å; Y833-P837 HydrophobicContact CD2-CB 3.9Å; Y833-P837 HydrophobicContact CD2-CG 4.29Å; Y833-P837 HydrophobicContact CE2-CB 3.83Å; Y833-P837 HydrophobicContact CE2-CG 4.15Å; P837-F840 WeakPolarHBondContact O-CB 3.48Å; P837-F840 PolarHBondContact O-N 2.84Å |
| 838 | V | 93.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -74.3 | -34.9 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | I699 R776 L777 D836 F840 S841 L842 Y935 | I699-V838 HydrophobicContact CD1-CG2 3.95Å; R776-V838 HydrophobicContact CB-CG1 4.08Å; L777-V838 HydrophobicContact CB-CG2 4.44Å; D836-V838 PolarHBondContact O-N 3.08Å; D836-V838 VanDerWaalsContact O-N 3.13Å; D836-V838 WeakPolarHBondContact OD1-CB 3.27Å; D836-V838 PolarHBondContact OD1-N 2.74Å; V838-F840 VanDerWaalsContact C-N 3.26Å; V838-F840 PolarHBondContact O-N 3.06Å; V838-S841 PolarHBondContact O-N 3.04Å; V838-L842 HydrophobicContact CG1-CD1 4.23Å; V838-L842 PolarHBondContact O-N 3.44Å; V838-L842 VanDerWaalsContact O-N 3.14Å; V838-Y935 HydrophobicContact CB-CD2 3.97Å; V838-Y935 HydrophobicContact CB-CE2 3.91Å; V838-Y935 HydrophobicContact CG1-CD1 4.39Å; V838-Y935 HydrophobicContact CG1-CD2 3.6Å; V838-Y935 HydrophobicContact CG1-CE2 3.97Å; V838-Y935 HydrophobicContact CG1-CG 3.84Å; V838-Y935 HydrophobicContact CG2-CD2 4.37Å |
| 839 | Q | 93.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.6 | -26.2 | 174.7 | -71.4 | -168.9 | 40.6 | 0 | 0 | 112.7 | V832 D836 S841 L842 Q843 L873 Y935 | V832-Q839 HydrophobicContact CG1-CB 3.63Å; D836-Q839 HydrophobicContact CB-CB 4.1Å; D836-Q839 HydrophobicContact CB-CG 4.03Å; D836-Q839 PolarHBondContact O-N 2.87Å; D836-Q839 PolarHBondContact OD2-NE2 3.26Å; Q839-S841 VanDerWaalsContact C-N 3.26Å; Q839-S841 PolarHBondContact O-N 2.89Å; Q839-L842 PolarHBondContact O-N 3.44Å; Q839-Q843 WeakPolarHBondContact O-CB 3.5Å; Q839-Q843 WeakPolarHBondContact O-CG 3.31Å; Q839-Q843 PolarHBondContact O-N 2.99Å; Q839-L873 HydrophobicContact CB-CD1 4.48Å; Q839-L873 HydrophobicContact CG-CD1 4.02Å; Q839-Y935 VanDerWaalsContact CG-OH 3.28Å; Q839-Y935 WeakPolarHBondContact CG-OH 3.43Å; Q839-Y935 PolarHBondContact NE2-OH 3.05Å; Q839-Y935 VanDerWaalsContact NE2-OH 3.13Å |
| 840 | F | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.7 | -45 | 173 | 176.7 | -97.4 | 0 | 0 | 0 | 111.4 | A780 H825 L828 R829 Y833 D836 P837 V838 Q844 | A780-F840 HydrophobicContact CB-CB 4.33Å; A780-F840 HydrophobicContact CB-CD1 3.79Å; A780-F840 HydrophobicContact CB-CG 4.44Å; H825-F840 AromaticContact CE1-CZ 3.95Å; L828-F840 HydrophobicContact CB-CD2 3.86Å; L828-F840 HydrophobicContact CB-CE2 3.65Å; R829-F840 HydrophobicContact CB-CE2 4.46Å; Y833-F840 HydrophobicContact CD2-CB 4.32Å; Y833-F840 HydrophobicContact CD2-CG 4.36Å; D836-F840 PolarHBondContact O-N 3.23Å; P837-F840 WeakPolarHBondContact O-CB 3.48Å; P837-F840 PolarHBondContact O-N 2.84Å; V838-F840 VanDerWaalsContact C-N 3.26Å; V838-F840 PolarHBondContact O-N 3.06Å; F840-Q844 WeakPolarHBondContact O-CG 3.33Å; F840-Q844 PolarHBondContact O-NE2 3.1Å |
| 841 | S | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -73.7 | -43.3 | 175.9 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | Y556 R776 V838 Q839 Q843 Q844 E845 | Y556-S841 WeakPolarHBondContact OH-CB 3.38Å; R776-S841 PolarHBondContact O-OG 3.45Å; V838-S841 PolarHBondContact O-N 3.04Å; Q839-S841 VanDerWaalsContact C-N 3.26Å; Q839-S841 PolarHBondContact O-N 2.89Å; S841-Q843 PolarHBondContact O-N 3.05Å; S841-Q844 WeakPolarHBondContact O-CB 3.29Å; S841-Q844 PolarHBondContact O-N 2.77Å; S841-E845 PolarHBondContact O-N 2.88Å |
| 842 | L | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 179.2 | -80.5 | 164.2 | 0 | 0 | 0 | 113.3 | V838 Q839 Q844 E845 L846 L873 Y935 V942 | V838-L842 HydrophobicContact CG1-CD1 4.23Å; V838-L842 PolarHBondContact O-N 3.44Å; V838-L842 VanDerWaalsContact O-N 3.14Å; Q839-L842 PolarHBondContact O-N 3.44Å; L842-Q844 VanDerWaalsContact C-N 3.31Å; L842-Q844 PolarHBondContact O-N 3.27Å; L842-E845 WeakPolarHBondContact O-CB 3.37Å; L842-E845 PolarHBondContact O-N 2.74Å; L842-L846 WeakPolarHBondContact O-CG 3.17Å; L842-L846 PolarHBondContact O-N 2.94Å; L842-L873 HydrophobicContact CB-CD2 4.36Å; L842-Y935 HydrophobicContact CD1-CD1 3.42Å; L842-Y935 VanDerWaalsContact CD1-CD1 3.42Å; L842-Y935 HydrophobicContact CD1-CE1 3.51Å; L842-Y935 HydrophobicContact CD1-CG 4.27Å; L842-V942 HydrophobicContact CD2-CG1 4.32Å; L842-V942 HydrophobicContact CD2-CG2 4.23Å |
| 843 | Q | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.2 | -31.9 | 177.8 | -69.4 | -162.2 | 26.5 | 0 | 0 | 111.6 | G806 L828 V832 Q839 S841 L846 I847 F869 L873 | G806-Q843 PolarHBondContact O-NE2 3.05Å; L828-Q843 HydrophobicContact CD2-CB 4.11Å; V832-Q843 HydrophobicContact CG1-CG 4.43Å; Q839-Q843 WeakPolarHBondContact O-CB 3.5Å; Q839-Q843 WeakPolarHBondContact O-CG 3.31Å; Q839-Q843 PolarHBondContact O-N 2.99Å; S841-Q843 PolarHBondContact O-N 3.05Å; Q843-L846 PolarHBondContact O-N 3.45Å; Q843-I847 VanDerWaalsContact O-CG1 3.31Å; Q843-I847 WeakPolarHBondContact O-CG1 3.42Å; Q843-I847 PolarHBondContact O-N 3.44Å; Q843-F869 HydrophobicContact CG-CB 4.25Å; Q843-L873 HydrophobicContact CG-CD1 3.95Å |
| 844 | Q | 93.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 168.3 | -67.5 | -177.6 | 58.4 | 0 | 0 | 111.2 | Q784 L789 L828 F840 S841 L842 L846 I847 L848 | Q784-Q844 PolarHBondContact O-NE2 3.35Å; L789-Q844 HydrophobicContact CD1-CB 4.02Å; L789-Q844 HydrophobicContact CD1-CG 3.59Å; L789-Q844 VanDerWaalsContact CD1-OE1 3.28Å; L789-Q844 HydrophobicContact CD2-CB 3.99Å; L789-Q844 HydrophobicContact CD2-CG 4.32Å; L789-Q844 WeakPolarHBondContact CD2-O 3.46Å; L828-Q844 HydrophobicContact CD1-CG 4.01Å; F840-Q844 WeakPolarHBondContact O-CG 3.33Å; F840-Q844 PolarHBondContact O-NE2 3.1Å; S841-Q844 WeakPolarHBondContact O-CB 3.29Å; S841-Q844 PolarHBondContact O-N 2.77Å; L842-Q844 VanDerWaalsContact C-N 3.31Å; L842-Q844 PolarHBondContact O-N 3.27Å; Q844-L846 VanDerWaalsContact C-N 3.27Å; Q844-L846 PolarHBondContact O-N 3.07Å; Q844-I847 PolarHBondContact O-N 3.32Å; Q844-L848 WeakPolarHBondContact O-CG 3.22Å; Q844-L848 PolarHBondContact O-N 3.45Å |
| 845 | E | 92.4 | Very high | 91 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 2% | 0.023 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.5 | -39.2 | 175 | -68.7 | 171.5 | -142.8 | 0 | 0 | 112 | Y556 R776 S841 L842 L848 S849 | Y556-E845 WeakPolarHBondContact CE2-OE1 3.44Å; Y556-E845 PolarHBondContact OH-OE1 3.16Å; R776-E845 IonicContact CZ-OE1 3.6Å; R776-E845 IonicContact CZ-OE2 2.71Å; R776-E845 IonicContact NE-OE1 3.43Å; R776-E845 PolarHBondContact NE-OE1 3.41Å; R776-E845 IonicContact NE-OE2 3.28Å; R776-E845 IonicContact NH2-OE1 2.81Å; R776-E845 IonicContact NH2-OE2 3.72Å; R776-E845 PolarHBondContact NH2-OE2 2.94Å; S841-E845 PolarHBondContact O-N 2.88Å; L842-E845 WeakPolarHBondContact O-CB 3.37Å; L842-E845 PolarHBondContact O-N 2.74Å; E845-L848 PolarHBondContact O-N 3.06Å; E845-S849 VanDerWaalsContact O-CB 3.32Å; E845-S849 WeakPolarHBondContact O-CB 3.19Å; E845-S849 PolarHBondContact O-N 3.23Å; E845-S849 PolarHBondContact O-OG 3Å |
| 846 | L | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.2 | -41.7 | 177.2 | -76.3 | 178.2 | 0 | 0 | 0 | 112.9 | L842 Q843 Q844 L848 S849 V850 F869 L872 L873 M876 L946 | L842-L846 WeakPolarHBondContact O-CG 3.17Å; L842-L846 PolarHBondContact O-N 2.94Å; Q843-L846 PolarHBondContact O-N 3.45Å; Q844-L846 VanDerWaalsContact C-N 3.27Å; Q844-L846 PolarHBondContact O-N 3.07Å; L846-L848 VanDerWaalsContact C-N 3.27Å; L846-L848 PolarHBondContact O-N 2.85Å; L846-S849 PolarHBondContact O-N 3.12Å; L846-V850 VanDerWaalsContact O-CB 3.25Å; L846-V850 WeakPolarHBondContact O-CB 3.24Å; L846-V850 VanDerWaalsContact O-CG2 3.28Å; L846-V850 WeakPolarHBondContact O-CG2 3.46Å; L846-V850 PolarHBondContact O-N 3.34Å; L846-F869 HydrophobicContact CB-CD1 3.94Å; L846-F869 HydrophobicContact CB-CE1 3.92Å; L846-F869 HydrophobicContact CD1-CD1 4.14Å; L846-L872 HydrophobicContact CD1-CD2 4.43Å; L846-L872 HydrophobicContact CD2-CD2 4.35Å; L846-L873 HydrophobicContact CD1-CD1 4.3Å; L846-L873 HydrophobicContact CD1-CD2 3.53Å; L846-L873 HydrophobicContact CD1-CG 3.61Å; L846-L873 HydrophobicContact CG-CD2 4.44Å; L846-M876 HydrophobicContact CD2-CE 4.32Å; L846-M876 HydrophobicContact CD2-SD 3.78Å; L846-L946 HydrophobicContact CD2-CD1 4.47Å; L846-L946 HydrophobicContact CD2-CD2 4.04Å |
| 847 | I | 94 | Very high | 90.2 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.7 | -45.1 | 176 | -70.8 | 163.2 | 0 | 0 | 0 | 110.1 | L789 I796 L828 Q843 Q844 S851 F869 | L789-I847 HydrophobicContact CD2-CB 3.79Å; L789-I847 HydrophobicContact CD2-CD1 4.21Å; L789-I847 HydrophobicContact CD2-CG2 3.76Å; I796-I847 HydrophobicContact CD1-CG2 4.32Å; L828-I847 HydrophobicContact CD1-CD1 4.44Å; Q843-I847 VanDerWaalsContact O-CG1 3.31Å; Q843-I847 WeakPolarHBondContact O-CG1 3.42Å; Q843-I847 PolarHBondContact O-N 3.44Å; Q844-I847 PolarHBondContact O-N 3.32Å; I847-S851 VanDerWaalsContact O-CB 3.27Å; I847-S851 WeakPolarHBondContact O-CB 3.49Å; I847-S851 PolarHBondContact O-N 3.29Å; I847-F869 HydrophobicContact CB-CZ 4.35Å; I847-F869 HydrophobicContact CD1-CE2 4.23Å; I847-F869 HydrophobicContact CG1-CD2 4.35Å; I847-F869 HydrophobicContact CG1-CE1 4.39Å; I847-F869 HydrophobicContact CG1-CE2 3.46Å; I847-F869 VanDerWaalsContact CG1-CE2 3.46Å; I847-F869 HydrophobicContact CG1-CZ 3.5Å; I847-F869 VanDerWaalsContact CG1-CZ 3.5Å |
| 848 | L | 89.1 | Confident | 89.8 | Confident | 32 Ų | 32 | 21.6 Ų | 21.6 | 17% | 0.168 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | 177 | -61.8 | 176.1 | 0 | 0 | 0 | 111.4 | F555 L557 A786 S788 L789 Q844 E845 L846 S851 S852 | F555-L848 HydrophobicContact CE1-CD1 4.16Å; L557-L848 HydrophobicContact CD1-CD1 4.32Å; A786-L848 HydrophobicContact CB-CD1 4.36Å; S788-L848 VanDerWaalsContact OG-CD2 3.31Å; S788-L848 WeakPolarHBondContact OG-CD2 3.45Å; L789-L848 HydrophobicContact CD2-CD2 4.09Å; L789-L848 HydrophobicContact CD2-CG 4.02Å; Q844-L848 WeakPolarHBondContact O-CG 3.22Å; Q844-L848 PolarHBondContact O-N 3.45Å; E845-L848 PolarHBondContact O-N 3.06Å; L846-L848 VanDerWaalsContact C-N 3.27Å; L846-L848 PolarHBondContact O-N 2.85Å; L848-S851 PolarHBondContact O-N 3.49Å; L848-S852 WeakPolarHBondContact O-CB 3.36Å; L848-S852 PolarHBondContact O-N 2.68Å |
| 849 | S | 91.2 | Very high | 89.5 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | -177.6 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | E845 L846 S852 L853 | E845-S849 VanDerWaalsContact O-CB 3.32Å; E845-S849 WeakPolarHBondContact O-CB 3.19Å; E845-S849 PolarHBondContact O-N 3.23Å; E845-S849 PolarHBondContact O-OG 3Å; L846-S849 PolarHBondContact O-N 3.12Å; S849-S852 WeakPolarHBondContact O-CB 3.39Å; S849-S852 PolarHBondContact O-N 3.43Å; S849-L853 WeakPolarHBondContact O-CG 3.14Å; S849-L853 PolarHBondContact O-N 2.81Å |
| 850 | V | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.7 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | I796 L846 S852 L853 L854 F861 I867 F869 L872 L946 | I796-V850 HydrophobicContact CD1-CB 4.24Å; I796-V850 HydrophobicContact CD1-CG1 3.85Å; I796-V850 HydrophobicContact CG1-CG1 4.03Å; L846-V850 VanDerWaalsContact O-CB 3.25Å; L846-V850 WeakPolarHBondContact O-CB 3.24Å; L846-V850 VanDerWaalsContact O-CG2 3.28Å; L846-V850 WeakPolarHBondContact O-CG2 3.46Å; L846-V850 PolarHBondContact O-N 3.34Å; V850-S852 VanDerWaalsContact C-N 3.31Å; V850-S852 PolarHBondContact O-N 2.95Å; V850-L853 PolarHBondContact O-N 3.43Å; V850-L854 HydrophobicContact CG1-CD1 3.92Å; V850-L854 HydrophobicContact CG1-CG 4.45Å; V850-L854 WeakPolarHBondContact O-CB 3.49Å; V850-L854 WeakPolarHBondContact O-CG 3.25Å; V850-L854 PolarHBondContact O-N 3.43Å; V850-F861 HydrophobicContact CB-CZ 4.47Å; V850-F861 HydrophobicContact CG1-CE1 3.86Å; V850-F861 HydrophobicContact CG1-CZ 3.97Å; V850-F861 HydrophobicContact CG2-CE1 4.42Å; V850-F861 HydrophobicContact CG2-CZ 4.48Å; V850-I867 HydrophobicContact CG1-CD1 3.5Å; V850-F869 HydrophobicContact CG2-CE1 4.05Å; V850-L872 HydrophobicContact CG2-CD2 4.12Å; V850-L946 HydrophobicContact CG2-CD2 3.85Å |
| 851 | S | 88.6 | Confident | 89.4 | Confident | 10 Ų | 10 | 27.6 Ų | 27.6 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 174.5 | 179 | 0 | 0 | 0 | 0 | 111.7 | S792 I847 L848 T855 | S792-S851 WeakPolarHBondContact CA-OG 3.32Å; I847-S851 VanDerWaalsContact O-CB 3.27Å; I847-S851 WeakPolarHBondContact O-CB 3.49Å; I847-S851 PolarHBondContact O-N 3.29Å; L848-S851 PolarHBondContact O-N 3.49Å; S851-T855 PolarHBondContact O-N 2.74Å; S851-T855 PolarHBondContact O-OG1 3.02Å |
| 852 | S | 85.2 | Confident | 89.2 | Confident | 24 Ų | 24 | 31.3 Ų | 31.3 | 17% | 0.168 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -51.2 | 176 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | L848 S849 V850 L854 T855 T856 K943 | L848-S852 WeakPolarHBondContact O-CB 3.36Å; L848-S852 PolarHBondContact O-N 2.68Å; S849-S852 WeakPolarHBondContact O-CB 3.39Å; S849-S852 PolarHBondContact O-N 3.43Å; V850-S852 VanDerWaalsContact C-N 3.31Å; V850-S852 PolarHBondContact O-N 2.95Å; S852-L854 PolarHBondContact O-N 3Å; S852-T855 WeakPolarHBondContact O-CB 3.42Å; S852-T855 PolarHBondContact O-N 2.75Å; S852-T856 PolarHBondContact O-N 3.13Å; S852-T856 PolarHBondContact O-OG1 2.58Å; S852-K943 PolarHBondContact OG-NZ 3.49Å |
| 853 | L | 90 | Very high | 88.8 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -35.3 | -178.6 | -69.4 | 174.6 | 0 | 0 | 0 | 113.4 | S849 V850 T855 T856 N857 L860 F861 L946 L947 L950 | S849-L853 WeakPolarHBondContact O-CG 3.14Å; S849-L853 PolarHBondContact O-N 2.81Å; V850-L853 PolarHBondContact O-N 3.43Å; L853-T855 PolarHBondContact O-N 3.14Å; L853-T856 PolarHBondContact O-N 3.02Å; L853-N857 CarbonylContact O-C 3.51Å; L853-N857 WeakPolarHBondContact O-CA 3.48Å; L853-N857 PolarHBondContact O-N 2.91Å; L853-L860 HydrophobicContact CD2-CD1 4.39Å; L853-F861 HydrophobicContact CB-CE2 3.69Å; L853-F861 HydrophobicContact CB-CZ 3.94Å; L853-L946 HydrophobicContact CD1-CD2 3.74Å; L853-L946 HydrophobicContact CD1-CG 3.91Å; L853-L947 HydrophobicContact CD2-CD1 4.15Å; L853-L950 HydrophobicContact CD1-CD1 4.02Å |
| 854 | L | 86.9 | Confident | 88.7 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.6 | -24.9 | 173.8 | -82.7 | 168.1 | 0 | 0 | 0 | 112.6 | I796 C799 K801 V850 S852 F861 I867 | I796-L854 HydrophobicContact CB-CD1 4.18Å; I796-L854 HydrophobicContact CG1-CD1 3.92Å; I796-L854 HydrophobicContact CG2-CD1 4.07Å; C799-L854 HydrophobicContact CB-CD1 4.34Å; C799-L854 HydrophobicContact CB-CD2 4.33Å; K801-L854 HydrophobicContact CG-CD1 4.19Å; K801-L854 HydrophobicContact CG-CD2 4.11Å; V850-L854 HydrophobicContact CG1-CD1 3.92Å; V850-L854 HydrophobicContact CG1-CG 4.45Å; V850-L854 WeakPolarHBondContact O-CB 3.49Å; V850-L854 WeakPolarHBondContact O-CG 3.25Å; V850-L854 PolarHBondContact O-N 3.43Å; S852-L854 PolarHBondContact O-N 3Å; L854-F861 HydrophobicContact CB-CE2 4.45Å; L854-F861 HydrophobicContact CD2-CB 3.85Å; L854-F861 HydrophobicContact CD2-CD1 4.21Å; L854-F861 HydrophobicContact CD2-CD2 3.36Å; L854-F861 HydrophobicContact CD2-CE2 3.89Å; L854-F861 HydrophobicContact CD2-CG 3.53Å; L854-F861 HydrophobicContact CG-CD1 4.48Å; L854-F861 HydrophobicContact CG-CD2 3.74Å; L854-F861 HydrophobicContact CG-CE1 4.45Å; L854-F861 HydrophobicContact CG-CE2 3.7Å; L854-F861 HydrophobicContact CG-CG 4.13Å; L854-F861 HydrophobicContact CG-CZ 4.07Å; L854-I867 HydrophobicContact CD1-CD1 4.42Å |
| 855 | T | 76.3 | Confident | 88.4 | Confident | 104 Ų | 104 | 35.9 Ų | 35.9 | 64% | 0.638 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -84.4 | -38.4 | 178.4 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | S851 S852 L853 | S851-T855 PolarHBondContact O-N 2.74Å; S851-T855 PolarHBondContact O-OG1 3.02Å; S852-T855 WeakPolarHBondContact O-CB 3.42Å; S852-T855 PolarHBondContact O-N 2.75Å; L853-T855 PolarHBondContact O-N 3.14Å |
| 856 | T | 77.6 | Confident | 88.4 | Confident | 77 Ų | 77 | 35.8 Ų | 35.8 | 47% | 0.472 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -92.8 | -34.4 | -176.3 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | S852 L853 | S852-T856 PolarHBondContact O-N 3.13Å; S852-T856 PolarHBondContact O-OG1 2.58Å; L853-T856 PolarHBondContact O-N 3.02Å |
| 857 | N | 84 | Confident | 88.4 | Confident | 64 Ų | 64 | 36.1 Ų | 36.1 | 34% | 0.342 | 20% | 0.195 | S | C | . | . | trans | -143.1 | 61.9 | -169.2 | -63.6 | 95.9 | 0 | 0 | 0 | 110.5 | L853 E859 L860 | L853-N857 CarbonylContact O-C 3.51Å; L853-N857 WeakPolarHBondContact O-CA 3.48Å; L853-N857 PolarHBondContact O-N 2.91Å; N857-E859 PolarHBondContact O-N 3.42Å; N857-L860 HydrophobicContact CB-CD1 3.49Å; N857-L860 VanDerWaalsContact CB-CD1 3.49Å; N857-L860 HydrophobicContact CB-CG 3.9Å; N857-L860 WeakPolarHBondContact O-CB 3.36Å; N857-L860 WeakPolarHBondContact O-CG 3.47Å; N857-L860 PolarHBondContact O-N 3.29Å; N857-L860 VanDerWaalsContact O-N 3.1Å | ||
| 858 | K | 85 | Confident | 88.4 | Confident | 102 Ų | 102 | 36.5 Ų | 36.5 | 44% | 0.443 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -57.1 | -34.8 | -174 | -171 | 176.9 | 179.9 | 177.4 | 0 | 112.9 | L860 F861 | K858-L860 PolarHBondContact O-N 3.15Å; K858-L860 VanDerWaalsContact O-N 3.15Å; K858-F861 PolarHBondContact O-N 3.07Å; K858-F861 VanDerWaalsContact O-N 3.1Å |
| 859 | E | 88.4 | Confident | 88.7 | Confident | 117 Ų | 117 | 35 Ų | 35 | 55% | 0.547 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -57.4 | -24.9 | 178.1 | 49.6 | -89.6 | 159.6 | 0 | 0 | 114.3 | N857 F861 D862 | N857-E859 PolarHBondContact O-N 3.42Å; E859-F861 PolarHBondContact O-N 3.21Å; E859-F861 VanDerWaalsContact O-N 3.11Å; E859-D862 WeakPolarHBondContact O-CB 3.46Å; E859-D862 PolarHBondContact O-N 3.28Å |
| 860 | L | 91 | Very high | 88.8 | Confident | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -62.2 | -21.2 | 177 | -67.2 | 173.7 | 0 | 0 | 0 | 113.4 | L853 N857 K858 L947 L950 K951 Q954 | L853-L860 HydrophobicContact CD2-CD1 4.39Å; N857-L860 HydrophobicContact CB-CD1 3.49Å; N857-L860 VanDerWaalsContact CB-CD1 3.49Å; N857-L860 HydrophobicContact CB-CG 3.9Å; N857-L860 WeakPolarHBondContact O-CB 3.36Å; N857-L860 WeakPolarHBondContact O-CG 3.47Å; N857-L860 PolarHBondContact O-N 3.29Å; N857-L860 VanDerWaalsContact O-N 3.1Å; K858-L860 PolarHBondContact O-N 3.15Å; K858-L860 VanDerWaalsContact O-N 3.15Å; L860-L947 HydrophobicContact CD1-CD1 3.36Å; L860-L947 HydrophobicContact CD2-CD1 4.43Å; L860-L950 HydrophobicContact CB-CB 4.36Å; L860-L950 HydrophobicContact CB-CD1 4.44Å; L860-K951 HydrophobicContact CD2-CG 3.76Å; L860-Q954 PolarHBondContact O-NE2 3.3Å |
| 861 | F | 93 | Very high | 88.8 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -102.8 | 8.4 | -180 | -61.1 | -91.6 | 0 | 0 | 0 | 112.3 | K801 V850 L853 L854 K858 E859 G863 I864 I867 L950 | K801-F861 PolarHBondContact NZ-O 3.37Å; V850-F861 HydrophobicContact CB-CZ 4.47Å; V850-F861 HydrophobicContact CG1-CE1 3.86Å; V850-F861 HydrophobicContact CG1-CZ 3.97Å; V850-F861 HydrophobicContact CG2-CE1 4.42Å; V850-F861 HydrophobicContact CG2-CZ 4.48Å; L853-F861 HydrophobicContact CB-CE2 3.69Å; L853-F861 HydrophobicContact CB-CZ 3.94Å; L854-F861 HydrophobicContact CB-CE2 4.45Å; L854-F861 HydrophobicContact CD2-CB 3.85Å; L854-F861 HydrophobicContact CD2-CD1 4.21Å; L854-F861 HydrophobicContact CD2-CD2 3.36Å; L854-F861 HydrophobicContact CD2-CE2 3.89Å; L854-F861 HydrophobicContact CD2-CG 3.53Å; L854-F861 HydrophobicContact CG-CD1 4.48Å; L854-F861 HydrophobicContact CG-CD2 3.74Å; L854-F861 HydrophobicContact CG-CE1 4.45Å; L854-F861 HydrophobicContact CG-CE2 3.7Å; L854-F861 HydrophobicContact CG-CG 4.13Å; L854-F861 HydrophobicContact CG-CZ 4.07Å; K858-F861 PolarHBondContact O-N 3.07Å; K858-F861 VanDerWaalsContact O-N 3.1Å; E859-F861 PolarHBondContact O-N 3.21Å; E859-F861 VanDerWaalsContact O-N 3.11Å; F861-G863 PolarHBondContact O-N 3.41Å; F861-I864 PolarHBondContact O-N 2.58Å; F861-I867 HydrophobicContact CD1-CD1 3.82Å; F861-I867 HydrophobicContact CE1-CD1 3.85Å; F861-L950 HydrophobicContact CE1-CD1 3.85Å; F861-L950 HydrophobicContact CE1-CD2 4.3Å; F861-L950 HydrophobicContact CE2-CD1 4.16Å; F861-L950 HydrophobicContact CZ-CD1 3.61Å |
| 862 | D | 88.6 | Confident | 89.1 | Confident | 79 Ų | 79 | 34.4 Ų | 34.4 | 42% | 0.422 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 138.6 | 176.2 | -76.9 | -12 | 0 | 0 | 0 | 109.6 | E859 I864 Q954 K957 | E859-D862 WeakPolarHBondContact O-CB 3.46Å; E859-D862 PolarHBondContact O-N 3.28Å; D862-I864 PolarHBondContact O-N 3.02Å; D862-Q954 PolarHBondContact O-NE2 2.93Å; D862-Q954 VanDerWaalsContact O-NE2 3.12Å; D862-K957 VanDerWaalsContact O-CE 3.27Å; D862-K957 WeakPolarHBondContact O-CE 3.48Å; D862-K957 PolarHBondContact O-NZ 3.39Å |
| 863 | G | 87.4 | Confident | 89.6 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 19% | 0.186 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -7.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | F861 V1064 | F861-G863 PolarHBondContact O-N 3.41Å; G863-V1064 WeakPolarHBondContact CA-O 3.17Å; G863-V1064 VanDerWaalsContact O-CG2 3.28Å; G863-V1064 WeakPolarHBondContact O-CG2 3.46Å; G863-V1064 PolarHBondContact O-N 2.78Å |
| 864 | I | 92.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -102 | 109.8 | 174.2 | -58.1 | 173.3 | 0 | 0 | 0 | 107.9 | K801 F861 D862 I867 L950 L1061 V1063 | K801-I864 WeakPolarHBondContact CD-O 3.32Å; K801-I864 WeakPolarHBondContact CE-O 3.2Å; K801-I864 PolarHBondContact NZ-O 2.91Å; F861-I864 PolarHBondContact O-N 2.58Å; D862-I864 PolarHBondContact O-N 3.02Å; I864-I867 HydrophobicContact CG2-CG1 4.07Å; I864-L950 HydrophobicContact CD1-CD2 3.87Å; I864-L1061 HydrophobicContact CD1-CB 4.28Å; I864-L1061 WeakPolarHBondContact CG2-O 3.32Å; I864-V1063 HydrophobicContact CD1-CG2 4Å; I864-V1063 HydrophobicContact CG1-CG2 3.72Å |
| 865 | K | 87.5 | Confident | 90 | Very high | 74 Ų | 74 | 33 Ų | 33 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | trans | -94.3 | -42.3 | 173.9 | -72.2 | -62.3 | -169.7 | 172.8 | 0 | 112.7 | K801 Q802 Y1069 V1107 | K801-K865 CarbonylContact C-O 3.56Å; K801-K865 VanDerWaalsContact CA-O 3.31Å; K801-K865 WeakPolarHBondContact CA-O 3.04Å; Q802-K865 PolarHBondContact N-O 2.83Å; K865-Y1069 HydrophobicContact CB-CE2 4.28Å; K865-Y1069 WeakPolarHBondContact CB-OH 3.23Å; K865-Y1069 HydrophobicContact CG-CD2 4.43Å; K865-Y1069 HydrophobicContact CG-CE2 3.42Å; K865-Y1069 VanDerWaalsContact CG-CE2 3.42Å; K865-Y1069 WeakPolarHBondContact CG-OH 3.38Å; K865-V1107 HydrophobicContact CB-CG1 4.1Å; K865-V1107 HydrophobicContact CG-CG1 4.1Å | ||
| 866 | F | 91.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.1 | 176.8 | -83.8 | -108.3 | 0 | 0 | 0 | 110.1 | Q802 T804 V814 R868 V1107 D1108 E1111 | Q802-F866 HydrophobicContact CB-CD1 3.77Å; Q802-F866 HydrophobicContact CB-CD2 4.19Å; Q802-F866 HydrophobicContact CB-CE1 3.59Å; Q802-F866 HydrophobicContact CB-CE2 4.03Å; Q802-F866 HydrophobicContact CB-CG 4.08Å; Q802-F866 HydrophobicContact CB-CZ 3.75Å; Q802-F866 HydrophobicContact CG-CE1 4.32Å; Q802-F866 HydrophobicContact CG-CE2 4.22Å; Q802-F866 HydrophobicContact CG-CZ 4Å; Q802-F866 CarbonylContact O-C 3.52Å; Q802-F866 WeakPolarHBondContact O-CA 3.37Å; T804-F866 HydrophobicContact CG2-CD1 4.46Å; V814-F866 HydrophobicContact CG1-CE1 3.96Å; V814-F866 HydrophobicContact CG2-CE1 4.43Å; F866-R868 HydrophobicContact CB-CG 4.5Å; F866-R868 PolarHBondContact O-N 3.45Å; F866-V1107 HydrophobicContact CE2-CG1 4.32Å; F866-D1108 WeakPolarHBondContact CE2-OD1 3.21Å; F866-D1108 HydrophobicContact CZ-CB 4.32Å; F866-D1108 VanDerWaalsContact CZ-OD1 3.22Å; F866-D1108 WeakPolarHBondContact CZ-OD1 3.45Å; F866-E1111 HydrophobicContact CD2-CB 3.77Å; F866-E1111 HydrophobicContact CD2-CG 3.44Å; F866-E1111 VanDerWaalsContact CD2-CG 3.44Å; F866-E1111 HydrophobicContact CE2-CB 3.59Å; F866-E1111 HydrophobicContact CE2-CG 3.59Å; F866-E1111 HydrophobicContact CG-CB 4.3Å; F866-E1111 HydrophobicContact CG-CG 4.22Å; F866-E1111 HydrophobicContact CZ-CB 3.99Å; F866-E1111 HydrophobicContact CZ-CG 4.46Å |
| 867 | I | 94.2 | Very high | 91.6 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 97.2 | 174 | -54.5 | 179.2 | 0 | 0 | 0 | 107.2 | I796 K801 Q802 L803 T804 V850 L854 F861 I864 F869 L872 | I796-I867 HydrophobicContact CG2-CD1 4.16Å; K801-I867 HydrophobicContact CB-CD1 4.21Å; K801-I867 HydrophobicContact CG-CD1 4.36Å; Q802-I867 PolarHBondContact O-N 2.58Å; L803-I867 WeakPolarHBondContact CA-O 3.34Å; L803-I867 HydrophobicContact CB-CB 4.34Å; L803-I867 VanDerWaalsContact CB-O 3.29Å; L803-I867 WeakPolarHBondContact CB-O 3.28Å; T804-I867 PolarHBondContact N-O 3.05Å; T804-I867 VanDerWaalsContact N-O 3.09Å; V850-I867 HydrophobicContact CG1-CD1 3.5Å; L854-I867 HydrophobicContact CD1-CD1 4.42Å; F861-I867 HydrophobicContact CD1-CD1 3.82Å; F861-I867 HydrophobicContact CE1-CD1 3.85Å; I864-I867 HydrophobicContact CG2-CG1 4.07Å; I867-F869 HydrophobicContact CG2-CD1 4.21Å; I867-F869 HydrophobicContact CG2-CE1 3.96Å; I867-F869 HydrophobicContact CG2-CZ 4.5Å; I867-F869 PolarHBondContact O-N 2.79Å; I867-L872 HydrophobicContact CG2-CD2 3.93Å |
| 868 | R | 94.1 | Very high | 91.8 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 4% | 0.038 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 101 | -178.1 | -58.8 | 174.2 | 71.6 | -177.3 | 6.5 | 109.7 | T804 E812 F866 G870 W871 L872 R1115 | T804-R868 HydrophobicContact CG2-CG 4.45Å; T804-R868 WeakPolarHBondContact OG1-CA 3.32Å; T804-R868 WeakPolarHBondContact OG1-CB 3.29Å; T804-R868 WeakPolarHBondContact OG1-CG 3.4Å; E812-R868 IonicContact OE1-CZ 2.73Å; E812-R868 IonicContact OE1-NE 2.87Å; E812-R868 PolarHBondContact OE1-NE 2.86Å; E812-R868 IonicContact OE1-NH2 3.58Å; E812-R868 PolarHBondContact OE1-NH2 2.83Å; E812-R868 IonicContact OE2-CZ 3.71Å; E812-R868 IonicContact OE2-NE 3.79Å; E812-R868 PolarHBondContact OE2-NE 2.77Å; E812-R868 IonicContact OE2-NH2 3.49Å; E812-R868 PolarHBondContact OE2-NH2 2.87Å; F866-R868 HydrophobicContact CB-CG 4.5Å; F866-R868 PolarHBondContact O-N 3.45Å; R868-G870 VanDerWaalsContact C-N 3.35Å; R868-G870 PolarHBondContact O-N 2.95Å; R868-W871 HydrophobicContact CB-CB 4.09Å; R868-W871 HydrophobicContact CB-CG 4.39Å; R868-W871 CarbonylContact O-C 3.51Å; R868-W871 PolarHBondContact O-N 2.95Å; R868-W871 VanDerWaalsContact O-N 3.08Å; R868-L872 WeakPolarHBondContact O-CB 3.48Å; R868-L872 PolarHBondContact O-N 2.78Å; R868-R1115 PolarHBondContact NH2-O 3.23Å |
| 869 | F | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.5 | -37.9 | -167.9 | -75.6 | -55.1 | 0 | 0 | 0 | 114 | I796 L803 T804 V805 Q843 L846 I847 V850 I867 W871 L872 L873 | I796-F869 HydrophobicContact CD1-CZ 4.41Å; L803-F869 HydrophobicContact CB-CD2 4.48Å; L803-F869 HydrophobicContact CB-CE2 4.03Å; L803-F869 HydrophobicContact CD1-CD2 4.07Å; L803-F869 HydrophobicContact CD1-CE2 3.72Å; L803-F869 HydrophobicContact CD2-CE2 3.55Å; L803-F869 HydrophobicContact CD2-CZ 3.95Å; L803-F869 HydrophobicContact CG-CE2 3.98Å; T804-F869 WeakPolarHBondContact O-CD2 3.29Å; T804-F869 PolarHBondContact O-N 2.95Å; T804-F869 VanDerWaalsContact O-N 3.1Å; V805-F869 HydrophobicContact CG2-CD2 4.46Å; Q843-F869 HydrophobicContact CG-CB 4.25Å; L846-F869 HydrophobicContact CB-CD1 3.94Å; L846-F869 HydrophobicContact CB-CE1 3.92Å; L846-F869 HydrophobicContact CD1-CD1 4.14Å; I847-F869 HydrophobicContact CB-CZ 4.35Å; I847-F869 HydrophobicContact CD1-CE2 4.23Å; I847-F869 HydrophobicContact CG1-CD2 4.35Å; I847-F869 HydrophobicContact CG1-CE1 4.39Å; I847-F869 HydrophobicContact CG1-CE2 3.46Å; I847-F869 VanDerWaalsContact CG1-CE2 3.46Å; I847-F869 HydrophobicContact CG1-CZ 3.5Å; I847-F869 VanDerWaalsContact CG1-CZ 3.5Å; V850-F869 HydrophobicContact CG2-CE1 4.05Å; I867-F869 HydrophobicContact CG2-CD1 4.21Å; I867-F869 HydrophobicContact CG2-CE1 3.96Å; I867-F869 HydrophobicContact CG2-CZ 4.5Å; I867-F869 PolarHBondContact O-N 2.79Å; F869-W871 PolarHBondContact O-N 3.3Å; F869-L872 HydrophobicContact CD1-CD2 4.1Å; F869-L872 HydrophobicContact CE1-CD2 4.39Å; F869-L872 PolarHBondContact O-N 3.01Å; F869-L873 WeakPolarHBondContact O-CG 3.47Å; F869-L873 PolarHBondContact O-N 3.26Å |
| 870 | G | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | G806 R868 L873 E874 | G806-G870 WeakPolarHBondContact O-CA 3.34Å; R868-G870 VanDerWaalsContact C-N 3.35Å; R868-G870 PolarHBondContact O-N 2.95Å; G870-L873 PolarHBondContact O-N 3.21Å; G870-E874 PolarHBondContact O-N 2.82Å |
| 871 | W | 94 | Very high | 91.7 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 2% | 0.015 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -77.3 | -28.3 | 178 | -66 | 95.7 | 0 | 0 | 0 | 113.7 | Q809 E812 R868 F869 L873 E874 A875 C1060 C1118 P1120 | Q809-W871 HydrophobicContact CG-CH2 4.06Å; Q809-W871 HydrophobicContact CG-CZ2 4.35Å; E812-W871 PolarHBondContact OE1-NE1 3.23Å; R868-W871 HydrophobicContact CB-CB 4.09Å; R868-W871 HydrophobicContact CB-CG 4.39Å; R868-W871 CarbonylContact O-C 3.51Å; R868-W871 PolarHBondContact O-N 2.95Å; R868-W871 VanDerWaalsContact O-N 3.08Å; F869-W871 PolarHBondContact O-N 3.3Å; W871-L873 VanDerWaalsContact C-N 3.3Å; W871-E874 HydrophobicContact CE3-CB 4.33Å; W871-E874 HydrophobicContact CE3-CG 4.3Å; W871-E874 CarbonylContact O-C 3.19Å; W871-E874 WeakPolarHBondContact O-CB 3.47Å; W871-E874 PolarHBondContact O-N 3.48Å; W871-E874 VanDerWaalsContact O-N 3.14Å; W871-A875 PolarHBondContact O-N 3.49Å; W871-C1060 HydrophobicContact CB-CB 4.46Å; W871-C1060 VanDerWaalsContact CB-O 3.28Å; W871-C1060 WeakPolarHBondContact CB-O 3.46Å; W871-C1060 WeakPolarHBondContact O-CB 3.49Å; W871-C1118 HydrophobicContact CH2-CB 4.43Å; W871-C1118 WeakPolarHBondContact CH2-O 3.18Å; W871-C1118 HydrophobicContact CZ2-CB 4.47Å; W871-P1120 HydrophobicContact CE3-CG 3.94Å; W871-P1120 HydrophobicContact CZ3-CG 3.61Å |
| 872 | L | 95.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 172.1 | -175.1 | 61.7 | 0 | 0 | 0 | 110.5 | L846 V850 I867 R868 F869 E874 A875 M876 L946 L1061 | L846-L872 HydrophobicContact CD1-CD2 4.43Å; L846-L872 HydrophobicContact CD2-CD2 4.35Å; V850-L872 HydrophobicContact CG2-CD2 4.12Å; I867-L872 HydrophobicContact CG2-CD2 3.93Å; R868-L872 WeakPolarHBondContact O-CB 3.48Å; R868-L872 PolarHBondContact O-N 2.78Å; F869-L872 HydrophobicContact CD1-CD2 4.1Å; F869-L872 HydrophobicContact CE1-CD2 4.39Å; F869-L872 PolarHBondContact O-N 3.01Å; L872-E874 VanDerWaalsContact C-N 3.35Å; L872-A875 WeakPolarHBondContact O-CB 3.41Å; L872-A875 PolarHBondContact O-N 3.14Å; L872-M876 VanDerWaalsContact O-CG 3.29Å; L872-M876 WeakPolarHBondContact O-CG 3.09Å; L872-M876 PolarHBondContact O-N 3.2Å; L872-L946 HydrophobicContact CD1-CD1 3.79Å; L872-L946 HydrophobicContact CD2-CD1 3.84Å; L872-L946 HydrophobicContact CG-CD1 4.02Å; L872-L1061 HydrophobicContact CD1-CD2 3.42Å; L872-L1061 VanDerWaalsContact CD1-CD2 3.42Å |
| 873 | L | 95 | Very high | 91 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 170.6 | -72.8 | 169.7 | 0 | 0 | 0 | 111.2 | Q839 L842 Q843 L846 F869 G870 W871 A875 M876 K877 L934 | Q839-L873 HydrophobicContact CB-CD1 4.48Å; Q839-L873 HydrophobicContact CG-CD1 4.02Å; L842-L873 HydrophobicContact CB-CD2 4.36Å; Q843-L873 HydrophobicContact CG-CD1 3.95Å; L846-L873 HydrophobicContact CD1-CD1 4.3Å; L846-L873 HydrophobicContact CD1-CD2 3.53Å; L846-L873 HydrophobicContact CD1-CG 3.61Å; L846-L873 HydrophobicContact CG-CD2 4.44Å; F869-L873 WeakPolarHBondContact O-CG 3.47Å; F869-L873 PolarHBondContact O-N 3.26Å; G870-L873 PolarHBondContact O-N 3.21Å; W871-L873 VanDerWaalsContact C-N 3.3Å; L873-A875 PolarHBondContact O-N 3.03Å; L873-M876 PolarHBondContact O-N 3.17Å; L873-K877 VanDerWaalsContact O-CG 3.22Å; L873-K877 WeakPolarHBondContact O-CG 3.45Å; L873-K877 PolarHBondContact O-N 2.99Å; L873-L934 HydrophobicContact CD2-CD2 3.91Å |
| 874 | E | 92.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 17.7 Ų | 17.7 | 2% | 0.023 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 173.8 | -68 | -57.2 | 120.1 | 0 | 0 | 112.6 | S808 G870 W871 L872 M876 K877 L878 R1182 W1185 | S808-E874 WeakPolarHBondContact OG-CG 3.41Å; S808-E874 PolarHBondContact OG-OE1 3.48Å; G870-E874 PolarHBondContact O-N 2.82Å; W871-E874 HydrophobicContact CE3-CB 4.33Å; W871-E874 HydrophobicContact CE3-CG 4.3Å; W871-E874 CarbonylContact O-C 3.19Å; W871-E874 WeakPolarHBondContact O-CB 3.47Å; W871-E874 PolarHBondContact O-N 3.48Å; W871-E874 VanDerWaalsContact O-N 3.14Å; L872-E874 VanDerWaalsContact C-N 3.35Å; E874-M876 VanDerWaalsContact C-N 3.32Å; E874-M876 PolarHBondContact O-N 2.98Å; E874-K877 PolarHBondContact O-N 3.32Å; E874-K877 WeakPolarHBondContact OE1-CD 2.98Å; E874-K877 IonicContact OE1-NZ 2.96Å; E874-K877 PolarHBondContact OE1-NZ 3.49Å; E874-L878 WeakPolarHBondContact O-CG 3.35Å; E874-L878 PolarHBondContact O-N 3.3Å; E874-R1182 IonicContact OE1-NH1 3.01Å; E874-R1182 IonicContact OE2-CZ 3.3Å; E874-R1182 IonicContact OE2-NH1 3.38Å; E874-R1182 PolarHBondContact OE2-NH1 3.12Å; E874-W1185 PolarHBondContact OE2-NE1 3.03Å |
| 875 | A | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.7 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W871 L872 L873 L878 K879 T949 L1057 C1060 L1061 | W871-A875 PolarHBondContact O-N 3.49Å; L872-A875 WeakPolarHBondContact O-CB 3.41Å; L872-A875 PolarHBondContact O-N 3.14Å; L873-A875 PolarHBondContact O-N 3.03Å; A875-L878 PolarHBondContact O-N 3.07Å; A875-K879 WeakPolarHBondContact O-CB 3.37Å; A875-K879 PolarHBondContact O-N 2.82Å; A875-T949 HydrophobicContact CB-CG2 3.81Å; A875-L1057 HydrophobicContact CB-CD1 3.92Å; A875-C1060 HydrophobicContact CB-CB 3.71Å; A875-L1061 HydrophobicContact CB-CD2 3.85Å; A875-L1061 HydrophobicContact CB-CG 4.14Å |
| 876 | M | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 177.8 | -70.3 | 171.5 | 70.5 | 0 | 0 | 111.6 | L846 L872 L873 E874 K879 L880 L934 V942 L945 L946 T949 | L846-M876 HydrophobicContact CD2-CE 4.32Å; L846-M876 HydrophobicContact CD2-SD 3.78Å; L872-M876 VanDerWaalsContact O-CG 3.29Å; L872-M876 WeakPolarHBondContact O-CG 3.09Å; L872-M876 PolarHBondContact O-N 3.2Å; L873-M876 PolarHBondContact O-N 3.17Å; E874-M876 VanDerWaalsContact C-N 3.32Å; E874-M876 PolarHBondContact O-N 2.98Å; M876-K879 PolarHBondContact O-N 3.07Å; M876-L880 WeakPolarHBondContact O-CB 3.43Å; M876-L880 PolarHBondContact O-N 3.35Å; M876-L934 HydrophobicContact CE-CD1 4.05Å; M876-V942 HydrophobicContact CE-CG1 3.78Å; M876-V942 WeakPolarHBondContact CE-O 3.4Å; M876-L945 HydrophobicContact CB-CD2 3.91Å; M876-L945 HydrophobicContact CB-CG 4.2Å; M876-L945 HydrophobicContact CE-CB 4.14Å; M876-L945 HydrophobicContact CE-CD2 3.82Å; M876-L945 HydrophobicContact CE-CG 3.96Å; M876-L945 HydrophobicContact CG-CD2 4.48Å; M876-L945 HydrophobicContact CG-CG 4.36Å; M876-L946 HydrophobicContact CE-CB 4.05Å; M876-L946 HydrophobicContact SD-CB 4.23Å; M876-L946 HydrophobicContact SD-CD1 4.18Å; M876-T949 HydrophobicContact CG-CG2 4.23Å |
| 877 | K | 92.2 | Very high | 86.4 | Confident | 10 Ų | 10 | 26.7 Ų | 26.7 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 176.4 | -60.6 | 164.5 | -171.1 | 173.3 | 0 | 111.3 | L873 E874 L880 E881 A931 L934 R1182 | L873-K877 VanDerWaalsContact O-CG 3.22Å; L873-K877 WeakPolarHBondContact O-CG 3.45Å; L873-K877 PolarHBondContact O-N 2.99Å; E874-K877 PolarHBondContact O-N 3.32Å; E874-K877 WeakPolarHBondContact OE1-CD 2.98Å; E874-K877 IonicContact OE1-NZ 2.96Å; E874-K877 PolarHBondContact OE1-NZ 3.49Å; K877-L880 PolarHBondContact O-N 3.45Å; K877-E881 WeakPolarHBondContact O-CG 3Å; K877-E881 PolarHBondContact O-N 3.2Å; K877-A931 HydrophobicContact CD-CB 4.16Å; K877-L934 HydrophobicContact CD-CD2 4.49Å; K877-L934 HydrophobicContact CG-CB 4.45Å; K877-L934 HydrophobicContact CG-CD2 3.62Å; K877-R1182 VanDerWaalsContact CD-NH1 3.28Å |
| 878 | L | 88.2 | Confident | 84.1 | Confident | 12 Ų | 12 | 29.4 Ų | 29.4 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 175 | -74.6 | 170.6 | 0 | 0 | 0 | 111.9 | E874 A875 L880 E881 L882 F1053 Q1056 W1185 | E874-L878 WeakPolarHBondContact O-CG 3.35Å; E874-L878 PolarHBondContact O-N 3.3Å; A875-L878 PolarHBondContact O-N 3.07Å; L878-L880 PolarHBondContact O-N 2.78Å; L878-E881 PolarHBondContact O-N 3.14Å; L878-L882 PolarHBondContact O-N 3.17Å; L878-F1053 HydrophobicContact CB-CE2 4.26Å; L878-Q1056 HydrophobicContact CD1-CB 4.05Å; L878-W1185 HydrophobicContact CD1-CH2 3.57Å; L878-W1185 HydrophobicContact CD1-CZ2 3.62Å; L878-W1185 HydrophobicContact CD2-CH2 3.53Å; L878-W1185 HydrophobicContact CD2-CZ2 3.67Å; L878-W1185 HydrophobicContact CG-CH2 4.01Å; L878-W1185 HydrophobicContact CG-CZ2 3.86Å |
| 879 | K | 90.5 | Very high | 81.4 | Confident | 37 Ų | 37 | 31.3 Ų | 31.3 | 16% | 0.161 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 179.1 | 179.6 | 54.1 | 173.5 | 149.4 | 0 | 111 | A875 M876 L882 E883 L945 T949 F1053 | A875-K879 WeakPolarHBondContact O-CB 3.37Å; A875-K879 PolarHBondContact O-N 2.82Å; M876-K879 PolarHBondContact O-N 3.07Å; K879-L882 PolarHBondContact O-N 3.05Å; K879-E883 WeakPolarHBondContact CE-OE1 3.35Å; K879-E883 IonicContact NZ-OE1 3.88Å; K879-E883 PolarHBondContact NZ-OE1 2.95Å; K879-E883 WeakPolarHBondContact O-CG 3.48Å; K879-E883 PolarHBondContact O-N 3.45Å; K879-E883 VanDerWaalsContact O-N 3.16Å; K879-L945 HydrophobicContact CB-CD1 4.43Å; K879-L945 HydrophobicContact CG-CD1 4.13Å; K879-T949 HydrophobicContact CB-CG2 4.35Å; K879-F1053 HydrophobicContact CD-CZ 4.16Å |
| 880 | L | 88.3 | Confident | 78.4 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.9 | -40.8 | -179.7 | -154.1 | 121 | 0 | 0 | 0 | 112.6 | M876 K877 L878 L882 E883 I884 H933 L937 L945 | M876-L880 WeakPolarHBondContact O-CB 3.43Å; M876-L880 PolarHBondContact O-N 3.35Å; K877-L880 PolarHBondContact O-N 3.45Å; L878-L880 PolarHBondContact O-N 2.78Å; L880-L882 VanDerWaalsContact C-N 3.33Å; L880-L882 PolarHBondContact O-N 3.3Å; L880-E883 PolarHBondContact O-N 3.41Å; L880-I884 HydrophobicContact CD2-CD1 3.61Å; L880-I884 HydrophobicContact CG-CD1 4.37Å; L880-I884 WeakPolarHBondContact O-CD1 3.29Å; L880-I884 VanDerWaalsContact O-CG1 3.29Å; L880-I884 WeakPolarHBondContact O-CG1 3.28Å; L880-I884 PolarHBondContact O-N 3.26Å; L880-H933 HydrophobicContact CD2-CB 3.16Å; L880-L937 HydrophobicContact CD1-CD1 3.77Å; L880-L945 HydrophobicContact CB-CD1 4.41Å; L880-L945 HydrophobicContact CB-CD2 4.44Å; L880-L945 HydrophobicContact CD1-CD1 3.86Å; L880-L945 HydrophobicContact CD1-CD2 3.39Å; L880-L945 HydrophobicContact CD1-CG 4.19Å |
| 881 | E | 83.7 | Confident | 75.5 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 173.3 | -78.3 | 170 | 179.3 | 0 | 0 | 111.9 | K877 L878 E883 I884 C885 S928 G930 R1182 | K877-E881 WeakPolarHBondContact O-CG 3Å; K877-E881 PolarHBondContact O-N 3.2Å; L878-E881 PolarHBondContact O-N 3.14Å; E881-E883 VanDerWaalsContact C-N 3.33Å; E881-E883 PolarHBondContact O-N 3.38Å; E881-I884 PolarHBondContact O-N 3.43Å; E881-C885 PolarHBondContact O-N 2.91Å; E881-C885 PolarHBondContact O-SG 3.17Å; E881-C885 VanDerWaalsContact O-SG 3.39Å; E881-S928 PolarHBondContact OE1-OG 2.9Å; E881-G930 WeakPolarHBondContact OE1-CA 3.44Å; E881-G930 PolarHBondContact OE1-N 3.02Å; E881-R1182 IonicContact OE1-CZ 2.87Å; E881-R1182 IonicContact OE1-NE 3.78Å; E881-R1182 IonicContact OE1-NH2 3.74Å; E881-R1182 PolarHBondContact OE1-NH2 2.99Å; E881-R1182 IonicContact OE2-CZ 2.73Å; E881-R1182 IonicContact OE2-NE 2.72Å; E881-R1182 IonicContact OE2-NH2 3.5Å; E881-R1182 PolarHBondContact OE2-NH2 3.36Å |
| 882 | L | 82 | Confident | 72.5 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 175.5 | -178 | 70.3 | 0 | 0 | 0 | 111.1 | L878 K879 L880 C885 S886 F1053 | L878-L882 PolarHBondContact O-N 3.17Å; K879-L882 PolarHBondContact O-N 3.05Å; L880-L882 VanDerWaalsContact C-N 3.33Å; L880-L882 PolarHBondContact O-N 3.3Å; L882-C885 PolarHBondContact O-N 3.27Å; L882-S886 WeakPolarHBondContact O-CB 3.44Å; L882-S886 PolarHBondContact O-N 3.47Å; L882-S886 VanDerWaalsContact O-N 3.08Å; L882-S886 PolarHBondContact O-OG 3.35Å; L882-F1053 HydrophobicContact CB-CD2 4.36Å; L882-F1053 HydrophobicContact CB-CE2 3.93Å; L882-F1053 HydrophobicContact CB-CZ 4.38Å; L882-F1053 HydrophobicContact CD2-CD1 3.85Å; L882-F1053 HydrophobicContact CD2-CD2 3.97Å; L882-F1053 HydrophobicContact CD2-CE1 3.57Å; L882-F1053 HydrophobicContact CD2-CE2 3.69Å; L882-F1053 HydrophobicContact CD2-CG 4.05Å; L882-F1053 HydrophobicContact CD2-CZ 3.49Å; L882-F1053 VanDerWaalsContact CD2-CZ 3.49Å; L882-F1053 HydrophobicContact CG-CE2 4.34Å |
| 883 | E | 83.1 | Confident | 69.6 | Low | 45 Ų | 45 | 60.7 Ų | 60.7 | 21% | 0.21 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 179.8 | -71.5 | 170 | 175 | 0 | 0 | 111.9 | K879 L880 E881 C885 S886 D887 R948 | K879-E883 WeakPolarHBondContact CE-OE1 3.35Å; K879-E883 IonicContact NZ-OE1 3.88Å; K879-E883 PolarHBondContact NZ-OE1 2.95Å; K879-E883 WeakPolarHBondContact O-CG 3.48Å; K879-E883 PolarHBondContact O-N 3.45Å; K879-E883 VanDerWaalsContact O-N 3.16Å; L880-E883 PolarHBondContact O-N 3.41Å; E881-E883 VanDerWaalsContact C-N 3.33Å; E881-E883 PolarHBondContact O-N 3.38Å; E883-C885 VanDerWaalsContact C-N 3.27Å; E883-C885 PolarHBondContact O-N 2.9Å; E883-S886 PolarHBondContact O-N 2.9Å; E883-D887 PolarHBondContact O-N 3.45Å; E883-R948 IonicContact OE1-CZ 3.63Å; E883-R948 IonicContact OE1-NH1 3.32Å; E883-R948 PolarHBondContact OE1-NH1 3.25Å; E883-R948 IonicContact OE2-CZ 3.86Å; E883-R948 IonicContact OE2-NH1 3.77Å; E883-R948 PolarHBondContact OE2-NH1 3.48Å; E883-R948 IonicContact OE2-NH2 2.74Å |
| 884 | I | 76 | Confident | 66.4 | Low | 31 Ų | 31 | 69 Ų | 69 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 177.7 | -67.6 | 164.4 | 0 | 0 | 0 | 111.7 | L880 E881 S886 H933 | L880-I884 HydrophobicContact CD2-CD1 3.61Å; L880-I884 HydrophobicContact CG-CD1 4.37Å; L880-I884 WeakPolarHBondContact O-CD1 3.29Å; L880-I884 VanDerWaalsContact O-CG1 3.29Å; L880-I884 WeakPolarHBondContact O-CG1 3.28Å; L880-I884 PolarHBondContact O-N 3.26Å; E881-I884 PolarHBondContact O-N 3.43Å; I884-S886 VanDerWaalsContact C-N 3.34Å; I884-H933 HydrophobicContact CD1-CB 4.4Å; I884-H933 VanDerWaalsContact CD1-CD2 3.42Å; I884-H933 WeakPolarHBondContact CD1-CD2 3.35Å |
| 885 | C | 69.5 | Low | 63.2 | Low | 57 Ų | 57 | 77.2 Ų | 77.2 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -76.7 | -19.5 | 176.2 | -67.7 | 0 | 0 | 0 | 0 | 113.5 | E881 L882 E883 | E881-C885 PolarHBondContact O-N 2.91Å; E881-C885 PolarHBondContact O-SG 3.17Å; E881-C885 VanDerWaalsContact O-SG 3.39Å; L882-C885 PolarHBondContact O-N 3.27Å; E883-C885 VanDerWaalsContact C-N 3.27Å; E883-C885 PolarHBondContact O-N 2.9Å |
| 886 | S | 65.2 | Low | 60 | Low | 70 Ų | 70 | 85.9 Ų | 85.9 | 49% | 0.49 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -86.3 | -28.5 | -176 | -55 | 0 | 0 | 0 | 0 | 113.7 | L882 E883 I884 V888 G889 | L882-S886 WeakPolarHBondContact O-CB 3.44Å; L882-S886 PolarHBondContact O-N 3.47Å; L882-S886 VanDerWaalsContact O-N 3.08Å; L882-S886 PolarHBondContact O-OG 3.35Å; E883-S886 PolarHBondContact O-N 2.9Å; I884-S886 VanDerWaalsContact C-N 3.34Å; S886-V888 PolarHBondContact O-N 2.91Å; S886-G889 PolarHBondContact O-N 3.4Å |
| 887 | D | 52.1 | Low | 56.7 | Low | 145 Ų | 145 | 94.6 Ų | 94.6 | 78% | 0.775 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 4.1 | -173.8 | -89.3 | -11.4 | 0 | 0 | 0 | 115.2 | E883 | E883-D887 PolarHBondContact O-N 3.45Š|
| 888 | V | 46.1 | Very low | 53.6 | Low | 64 Ų | 64 | 102.1 Ų | 102.1 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -12 | -179.9 | -166.8 | 0 | 0 | 0 | 0 | 112.6 | S886 | S886-V888 PolarHBondContact O-N 2.91Š|
| 889 | G | 37.2 | Very low | 50.6 | Low | 50 Ų | 50 | 109.8 Ų | 109.8 | 52% | 0.515 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -93.7 | -16.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | S886 | S886-G889 PolarHBondContact O-N 3.4Š|
| 890 | E | 33.1 | Very low | 47.7 | Very low | 183 Ų | 183 | 116.8 Ų | 116.8 | 86% | 0.855 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -102 | -17.9 | -168.1 | -70.6 | -167 | 162.4 | 0 | 0 | 115.5 | ||
| 891 | D | 31.8 | Very low | 44.7 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 88% | 0.882 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -95.4 | -0.6 | -175.8 | -80.4 | -23 | 0 | 0 | 0 | 115 | ||
| 892 | S | 31.3 | Very low | 42.1 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 52% | 0.517 | 66% | 0.657 | S | S | . | * | trans | -96.8 | 5.1 | -170.8 | -52.3 | 0 | 0 | 0 | 0 | 116 | H894 | S892-H894 PolarHBondContact O-N 2.91Š| ||
| 893 | Y | 33.6 | Very low | 39.8 | Very low | 206 Ų | 206 | 133 Ų | 133 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -78 | 3.5 | -179.4 | -89 | -77.4 | 0 | 0 | 0 | 115.5 | ||
| 894 | H | 29.4 | Very low | 37.6 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -138.1 | 68.3 | 175.8 | -72.9 | -45.3 | 0 | 0 | 0 | 112.5 | S892 | S892-H894 PolarHBondContact O-N 2.91Š|
| 895 | Q | 25.2 | Very low | 36.4 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 177.1 | 126.8 | 134.8 | -96.8 | 159.1 | 24 | 0 | 0 | 112.5 | ||
| 896 | Q | 26.4 | Very low | 36.2 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | trans | 81.3 | 103.8 | 153.7 | -67.1 | -179.6 | -9.2 | 0 | 0 | 120.3 | Q898 | Q896-Q898 PolarHBondContact O-N 3.44Š| ||
| 897 | E | 26.3 | Very low | 36.7 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | -56.3 | 119.7 | 144 | -66.4 | 173.3 | 147 | 0 | 0 | 110.3 | ||||
| 898 | Q | 26 | Very low | 37.8 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | 158.9 | 118.7 | 127.5 | -86.1 | 172.7 | 10.5 | 0 | 0 | 111.4 | Q896 | Q896-Q898 PolarHBondContact O-N 3.44Š| |||
| 899 | Q | 25.5 | Very low | 39.4 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | 56.3 | 92.9 | 149.8 | -64.9 | 178.6 | -17.4 | 0 | 0 | 118.8 | ||||
| 900 | H | 29.1 | Very low | 41.5 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.856 | 67% | 0.673 | S | S | * | * | -176.2 | 124.1 | 108 | -104.6 | -76.7 | 0 | 0 | 0 | 109.1 | D902 | H900-D902 PolarHBondContact O-N 3.26Š| |||
| 901 | Q | 26.4 | Very low | 43.8 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 64% | 0.641 | S | S | * | * | trans | -71.8 | 115 | 162.2 | -77.6 | 170.4 | -46.2 | 0 | 0 | 106.8 | ||||
| 902 | D | 27.9 | Very low | 46.2 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 82% | 0.818 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 175.8 | 117.6 | 140.3 | -81.3 | -21.7 | 0 | 0 | 0 | 108.5 | H900 | H900-D902 PolarHBondContact O-N 3.26Š|
| 903 | D | 35 | Very low | 48.8 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 66% | 0.663 | 60% | 0.602 | S | S | * | * | trans | 63.7 | 77.3 | 153.3 | -80.2 | -7 | 0 | 0 | 0 | 120.3 | F905 | D903-F905 HydrophobicContact CB-CD2 3.71Å; D903-F905 HydrophobicContact CB-CE2 4.01Å; D903-F905 PolarHBondContact O-N 2.92Å; D903-F905 WeakPolarHBondContact OD2-CE2 3.5Å | ||
| 904 | E | 37.3 | Very low | 51.2 | Low | 171 Ų | 171 | 122 Ų | 122 | 80% | 0.799 | 59% | 0.59 | S | S | * | * | trans | -73 | 76.2 | 159.3 | -119.7 | -178.5 | 178.5 | 0 | 0 | 110.4 | ||||
| 905 | F | 49.8 | Very low | 53.7 | Low | 93 Ų | 93 | 114 Ų | 114 | 41% | 0.408 | 55% | 0.553 | S | S | . | * | trans | -78.4 | 139.5 | 176.3 | -98.7 | -101.1 | 0 | 0 | 0 | 112.5 | D903 K907 H1178 | D903-F905 HydrophobicContact CB-CD2 3.71Å; D903-F905 HydrophobicContact CB-CE2 4.01Å; D903-F905 PolarHBondContact O-N 2.92Å; D903-F905 WeakPolarHBondContact OD2-CE2 3.5Å; F905-K907 PolarHBondContact O-N 3.23Å; F905-K907 VanDerWaalsContact O-N 3.14Å; F905-H1178 AromaticContact CZ-CD2 3.91Å; F905-H1178 AromaticContact CZ-NE2 3.56Å | ||
| 906 | C | 66.5 | Low | 56.3 | Low | 16 Ų | 16 | 108.2 Ų | 108.2 | 11% | 0.108 | 53% | 0.527 | C | S | . | . | trans | -51.5 | 115.6 | 172.9 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | S908 R909 S910 | C906-S908 VanDerWaalsContact C-N 3.32Å; C906-S908 PolarHBondContact O-N 3.29Å; C906-R909 HydrophobicContact CB-CB 4.02Å; C906-R909 WeakPolarHBondContact O-CB 3.3Å; C906-R909 PolarHBondContact O-N 2.87Å; C906-S910 PolarHBondContact O-N 3.44Å; C906-S910 VanDerWaalsContact O-N 3.1Å | ||
| 907 | K | 75.5 | Confident | 59.1 | Low | 162 Ų | 162 | 107.7 Ų | 107.7 | 70% | 0.704 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -54.5 | -43 | -176.6 | -170.5 | 177.1 | -178.6 | 178.8 | 0 | 113.1 | F905 R909 S910 I911 | F905-K907 PolarHBondContact O-N 3.23Å; F905-K907 VanDerWaalsContact O-N 3.14Å; K907-R909 VanDerWaalsContact C-N 3.33Å; K907-R909 PolarHBondContact O-N 3.47Å; K907-S910 PolarHBondContact O-N 2.87Å; K907-I911 HydrophobicContact CG-CD1 4.23Å; K907-I911 VanDerWaalsContact O-CG1 3.31Å; K907-I911 WeakPolarHBondContact O-CG1 3.37Å; K907-I911 PolarHBondContact O-N 3.17Å |
| 908 | S | 74.7 | Confident | 61.7 | Low | 14 Ų | 14 | 102.5 Ų | 102.5 | 10% | 0.098 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 179.1 | -45.2 | 0 | 0 | 0 | 0 | 112.3 | D689 C906 I911 Y912 | D689-S908 VanDerWaalsContact OD2-CB 3.24Å; D689-S908 WeakPolarHBondContact OD2-CB 3.46Å; D689-S908 PolarHBondContact OD2-OG 3.18Å; C906-S908 VanDerWaalsContact C-N 3.32Å; C906-S908 PolarHBondContact O-N 3.29Å; S908-I911 PolarHBondContact O-N 3.38Å; S908-Y912 WeakPolarHBondContact O-CB 3.38Å; S908-Y912 PolarHBondContact O-N 3.23Å |
| 909 | R | 78.4 | Confident | 64.2 | Low | 88 Ų | 88 | 96.1 Ų | 96.1 | 33% | 0.332 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69 | -41.3 | 176.4 | -167.5 | 164.6 | -178.2 | 160 | -1.1 | 111.6 | C906 K907 Y912 E913 E1180 | C906-R909 HydrophobicContact CB-CB 4.02Å; C906-R909 WeakPolarHBondContact O-CB 3.3Å; C906-R909 PolarHBondContact O-N 2.87Å; K907-R909 VanDerWaalsContact C-N 3.33Å; K907-R909 PolarHBondContact O-N 3.47Å; R909-Y912 WeakPolarHBondContact O-CB 3.23Å; R909-Y912 PolarHBondContact O-N 2.95Å; R909-E913 IonicContact NE-OE1 2.7Å; R909-E913 WeakPolarHBondContact O-CG 3.44Å; R909-E913 PolarHBondContact O-N 3.03Å; R909-E1180 IonicContact NH2-OE2 3.67Å; R909-E1180 PolarHBondContact NH2-OE2 3.19Å |
| 910 | S | 81.4 | Confident | 66.5 | Low | 70 Ų | 70 | 91.6 Ų | 91.6 | 49% | 0.49 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 172.5 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | C906 K907 Y912 E913 S914 | C906-S910 PolarHBondContact O-N 3.44Å; C906-S910 VanDerWaalsContact O-N 3.1Å; K907-S910 PolarHBondContact O-N 2.87Å; S910-Y912 VanDerWaalsContact C-N 3.34Å; S910-Y912 PolarHBondContact O-N 3.1Å; S910-E913 PolarHBondContact O-N 3.46Å; S910-S914 WeakPolarHBondContact O-CB 3.48Å; S910-S914 PolarHBondContact O-N 2.9Å |
| 911 | I | 82.2 | Confident | 68.6 | Low | 38 Ų | 38 | 90.1 Ų | 90.1 | 20% | 0.195 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175.2 | -67.4 | 165.8 | 0 | 0 | 0 | 110.6 | D689 E690 I693 K907 S908 S914 V915 | D689-I911 HydrophobicContact CB-CD1 4.49Å; E690-I911 HydrophobicContact CB-CG2 3.89Å; E690-I911 HydrophobicContact CG-CG2 4.22Å; I693-I911 HydrophobicContact CD1-CG2 3.97Å; K907-I911 HydrophobicContact CG-CD1 4.23Å; K907-I911 VanDerWaalsContact O-CG1 3.31Å; K907-I911 WeakPolarHBondContact O-CG1 3.37Å; K907-I911 PolarHBondContact O-N 3.17Å; S908-I911 PolarHBondContact O-N 3.38Å; I911-S914 WeakPolarHBondContact O-CB 3.43Å; I911-S914 PolarHBondContact O-N 3.27Å; I911-V915 HydrophobicContact CG2-CG2 4.36Å; I911-V915 WeakPolarHBondContact O-CG2 3.27Å; I911-V915 PolarHBondContact O-N 3.18Å |
| 912 | Y | 82.9 | Confident | 70.6 | Confident | 40 Ų | 40 | 85.6 Ų | 85.6 | 16% | 0.157 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58 | -49.4 | 178.5 | 175.3 | -102.7 | 0 | 0 | 0 | 112.5 | I693 S908 R909 S910 S914 V915 L916 R927 S928 L929 | I693-Y912 HydrophobicContact CD1-CD2 4.44Å; I693-Y912 HydrophobicContact CG2-CD2 4.24Å; S908-Y912 WeakPolarHBondContact O-CB 3.38Å; S908-Y912 PolarHBondContact O-N 3.23Å; R909-Y912 WeakPolarHBondContact O-CB 3.23Å; R909-Y912 PolarHBondContact O-N 2.95Å; S910-Y912 VanDerWaalsContact C-N 3.34Å; S910-Y912 PolarHBondContact O-N 3.1Å; Y912-S914 VanDerWaalsContact C-N 3.32Å; Y912-S914 PolarHBondContact O-N 3.19Å; Y912-V915 PolarHBondContact O-N 3.21Å; Y912-L916 HydrophobicContact CD1-CD1 3.94Å; Y912-L916 HydrophobicContact CD2-CD1 4.24Å; Y912-L916 HydrophobicContact CE1-CD1 3.28Å; Y912-L916 HydrophobicContact CE2-CD1 3.62Å; Y912-L916 HydrophobicContact CG-CD1 4.38Å; Y912-L916 WeakPolarHBondContact O-CB 3.47Å; Y912-L916 PolarHBondContact O-N 2.99Å; Y912-L916 VanDerWaalsContact OH-CD1 3.26Å; Y912-L916 WeakPolarHBondContact OH-CD1 3.38Å; Y912-R927 WeakPolarHBondContact CE2-O 3.45Å; Y912-R927 VanDerWaalsContact CZ-O 3.28Å; Y912-R927 PolarHBondContact OH-O 3.43Å; Y912-S928 WeakPolarHBondContact OH-CA 3.46Å; Y912-L929 HydrophobicContact CD1-CB 4.47Å; Y912-L929 HydrophobicContact CD2-CB 4.07Å; Y912-L929 HydrophobicContact CD2-CD1 4.13Å; Y912-L929 HydrophobicContact CE2-CB 4.32Å; Y912-L929 HydrophobicContact CG-CB 4.14Å; Y912-L929 HydrophobicContact CG-CD1 4.28Å |
| 913 | E | 84.3 | Confident | 72.7 | Confident | 89 Ų | 89 | 84.6 Ų | 84.6 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 177.8 | -71.9 | 173.6 | -166.5 | 0 | 0 | 112.3 | R909 S910 L916 K917 | R909-E913 IonicContact NE-OE1 2.7Å; R909-E913 WeakPolarHBondContact O-CG 3.44Å; R909-E913 PolarHBondContact O-N 3.03Å; S910-E913 PolarHBondContact O-N 3.46Å; E913-L916 PolarHBondContact O-N 3.32Å; E913-K917 WeakPolarHBondContact O-CB 3.47Å; E913-K917 PolarHBondContact O-N 3Å |
| 914 | S | 85.6 | Confident | 74.5 | Confident | 78 Ų | 78 | 80 Ų | 80 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | S910 I911 Y912 L916 K917 S918 | S910-S914 WeakPolarHBondContact O-CB 3.48Å; S910-S914 PolarHBondContact O-N 2.9Å; I911-S914 WeakPolarHBondContact O-CB 3.43Å; I911-S914 PolarHBondContact O-N 3.27Å; Y912-S914 VanDerWaalsContact C-N 3.32Å; Y912-S914 PolarHBondContact O-N 3.19Å; S914-L916 PolarHBondContact O-N 3.39Å; S914-K917 PolarHBondContact O-N 3.43Å; S914-S918 PolarHBondContact O-N 2.89Å |
| 915 | V | 81.2 | Confident | 76.2 | Confident | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.03 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | I693 R694 I911 Y912 K917 S918 L919 | I693-V915 HydrophobicContact CG2-CB 3.92Å; I693-V915 HydrophobicContact CG2-CG1 3.76Å; I693-V915 HydrophobicContact CG2-CG2 4.17Å; R694-V915 HydrophobicContact CG-CG1 4.43Å; R694-V915 HydrophobicContact CG-CG2 4.48Å; I911-V915 HydrophobicContact CG2-CG2 4.36Å; I911-V915 WeakPolarHBondContact O-CG2 3.27Å; I911-V915 PolarHBondContact O-N 3.18Å; Y912-V915 PolarHBondContact O-N 3.21Å; V915-K917 VanDerWaalsContact C-N 3.35Å; V915-K917 PolarHBondContact O-N 3.45Å; V915-S918 WeakPolarHBondContact O-CB 3.46Å; V915-S918 PolarHBondContact O-N 3.26Å; V915-S918 PolarHBondContact O-OG 2.92Å; V915-L919 HydrophobicContact CG1-CD1 3.73Å; V915-L919 HydrophobicContact CG1-CG 4.21Å; V915-L919 VanDerWaalsContact O-CG 3.31Å; V915-L919 WeakPolarHBondContact O-CG 3.31Å; V915-L919 PolarHBondContact O-N 2.94Å |
| 916 | L | 80.8 | Confident | 77.5 | Confident | 57 Ų | 57 | 76 Ų | 76 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.9 | -115.6 | 140.8 | 0 | 0 | 0 | 112.6 | Y912 E913 S914 S918 L919 A920 P926 | Y912-L916 HydrophobicContact CD1-CD1 3.94Å; Y912-L916 HydrophobicContact CD2-CD1 4.24Å; Y912-L916 HydrophobicContact CE1-CD1 3.28Å; Y912-L916 HydrophobicContact CE2-CD1 3.62Å; Y912-L916 HydrophobicContact CG-CD1 4.38Å; Y912-L916 WeakPolarHBondContact O-CB 3.47Å; Y912-L916 PolarHBondContact O-N 2.99Å; Y912-L916 VanDerWaalsContact OH-CD1 3.26Å; Y912-L916 WeakPolarHBondContact OH-CD1 3.38Å; E913-L916 PolarHBondContact O-N 3.32Å; S914-L916 PolarHBondContact O-N 3.39Å; L916-S918 VanDerWaalsContact C-N 3.28Å; L916-S918 PolarHBondContact O-N 3.35Å; L916-L919 PolarHBondContact O-N 3.12Å; L916-L919 VanDerWaalsContact O-N 3.12Å; L916-A920 PolarHBondContact O-N 2.95Å; L916-P926 HydrophobicContact CD2-CB 3.86Å |
| 917 | K | 84.4 | Confident | 78.2 | Confident | 171 Ų | 171 | 77.7 Ų | 77.7 | 74% | 0.743 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.4 | -40.7 | 172.9 | -85.1 | 177.7 | 176.2 | 170.7 | 0 | 111.9 | E913 S914 V915 L919 | E913-K917 WeakPolarHBondContact O-CB 3.47Å; E913-K917 PolarHBondContact O-N 3Å; S914-K917 PolarHBondContact O-N 3.43Å; V915-K917 VanDerWaalsContact C-N 3.35Å; V915-K917 PolarHBondContact O-N 3.45Å; K917-L919 VanDerWaalsContact C-N 3.26Å; K917-L919 PolarHBondContact O-N 3.32Å |
| 918 | S | 81.7 | Confident | 78.5 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.4 | -27.2 | 177.9 | 79.1 | 0 | 0 | 0 | 0 | 113.4 | S914 V915 L916 | S914-S918 PolarHBondContact O-N 2.89Å; V915-S918 WeakPolarHBondContact O-CB 3.46Å; V915-S918 PolarHBondContact O-N 3.26Å; V915-S918 PolarHBondContact O-OG 2.92Å; L916-S918 VanDerWaalsContact C-N 3.28Å; L916-S918 PolarHBondContact O-N 3.35Å |
| 919 | L | 77.7 | Confident | 79 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 18% | 0.183 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -95.5 | -6.5 | -177 | -64.4 | 178.7 | 0 | 0 | 0 | 114 | H697 V915 L916 K917 N921 L922 I924 | H697-L919 HydrophobicContact CB-CD1 3.58Å; V915-L919 HydrophobicContact CG1-CD1 3.73Å; V915-L919 HydrophobicContact CG1-CG 4.21Å; V915-L919 VanDerWaalsContact O-CG 3.31Å; V915-L919 WeakPolarHBondContact O-CG 3.31Å; V915-L919 PolarHBondContact O-N 2.94Å; L916-L919 PolarHBondContact O-N 3.12Å; L916-L919 VanDerWaalsContact O-N 3.12Å; K917-L919 VanDerWaalsContact C-N 3.26Å; K917-L919 PolarHBondContact O-N 3.32Å; L919-N921 PolarHBondContact O-N 3.37Å; L919-L922 HydrophobicContact CD2-CD1 3.82Å; L919-L922 PolarHBondContact O-N 3.45Å; L919-I924 HydrophobicContact CB-CD1 4.2Å; L919-I924 HydrophobicContact CD1-CD1 4.22Å; L919-I924 HydrophobicContact CD2-CD1 3.77Å; L919-I924 HydrophobicContact CG-CD1 4.26Å |
| 920 | A | 74.2 | Confident | 79.3 | Confident | 77 Ų | 77 | 67 Ų | 67 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -54.3 | -28 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L916 | L916-A920 PolarHBondContact O-N 2.95Š|
| 921 | N | 72.7 | Confident | 79.6 | Confident | 155 Ų | 155 | 63.8 Ų | 63.8 | 83% | 0.829 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -82.3 | -8.6 | 179.9 | -65.6 | -17.1 | 0 | 0 | 0 | 114.6 | L919 | L919-N921 PolarHBondContact O-N 3.37Š|
| 922 | L | 67.8 | Low | 80 | Confident | 87 Ų | 87 | 62 Ų | 62 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -102.3 | 10.7 | -166.4 | -76.2 | 162.7 | 0 | 0 | 0 | 115.4 | L919 I924 | L919-L922 HydrophobicContact CD2-CD1 3.82Å; L919-L922 PolarHBondContact O-N 3.45Å; L922-I924 HydrophobicContact CB-CD1 3.62Å; L922-I924 HydrophobicContact CB-CG1 3.72Å; L922-I924 HydrophobicContact CD1-CD1 4.14Å; L922-I924 PolarHBondContact O-N 2.97Å |
| 923 | E | 73.4 | Confident | 80.3 | Confident | 132 Ų | 132 | 60.7 Ų | 60.7 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 25.7 | -177.6 | -65.9 | -178.7 | 145.8 | 0 | 0 | 114.1 | K702 K706 | K702-E923 WeakPolarHBondContact CD-O 3.28Å; K706-E923 IonicContact NZ-OE2 2.97Å; K706-E923 PolarHBondContact NZ-OE2 3.27Å |
| 924 | I | 72.4 | Confident | 80.7 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | trans | -75.9 | 144.4 | -177.8 | -63.4 | 172.2 | 0 | 0 | 0 | 109.9 | H697 D700 P703 L919 L922 P926 | H697-I924 HydrophobicContact CB-CG2 4.4Å; D700-I924 HydrophobicContact CB-CG2 4.19Å; P703-I924 HydrophobicContact CG-CG1 4.12Å; L919-I924 HydrophobicContact CB-CD1 4.2Å; L919-I924 HydrophobicContact CD1-CD1 4.22Å; L919-I924 HydrophobicContact CD2-CD1 3.77Å; L919-I924 HydrophobicContact CG-CD1 4.26Å; L922-I924 HydrophobicContact CB-CD1 3.62Å; L922-I924 HydrophobicContact CB-CG1 3.72Å; L922-I924 HydrophobicContact CD1-CD1 4.14Å; L922-I924 PolarHBondContact O-N 2.97Å; I924-P926 WeakPolarHBondContact O-CD 3.47Å | ||
| 925 | N | 73.1 | Confident | 81.1 | Confident | 92 Ų | 92 | 53 Ų | 53 | 49% | 0.492 | 29% | 0.289 | S | S | . | . | trans | -74.4 | 109.3 | 170.2 | -76.9 | -16 | 0 | 0 | 0 | 110.4 | D700 K702 R927 | D700-N925 PolarHBondContact OD2-N 3.04Å; K702-N925 PolarHBondContact NZ-OD1 3.08Å; N925-R927 PolarHBondContact O-N 2.64Å | ||
| 926 | P | 75.4 | Confident | 81.6 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | trans | -68.9 | 133.9 | -178.8 | 29.8 | -34.5 | 0 | 0 | 0 | 110.5 | L916 I924 | L916-P926 HydrophobicContact CD2-CB 3.86Å; I924-P926 WeakPolarHBondContact O-CD 3.47Å | ||
| 927 | R | 81.7 | Confident | 82.2 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | trans | -104.4 | 147.6 | 173 | -69.2 | -171.7 | 176.2 | 120.7 | -6.1 | 109.9 | I696 H697 Y912 N925 A931 | I696-R927 PolarHBondContact O-NH1 2.91Å; H697-R927 PolarHBondContact NE2-N 3.15Å; Y912-R927 WeakPolarHBondContact CE2-O 3.45Å; Y912-R927 VanDerWaalsContact CZ-O 3.28Å; Y912-R927 PolarHBondContact OH-O 3.43Å; N925-R927 PolarHBondContact O-N 2.64Å; R927-A931 HydrophobicContact CB-CB 4.24Å | ||
| 928 | S | 83.2 | Confident | 82.5 | Confident | 26 Ų | 26 | 45 Ų | 45 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | trans | -63.8 | 156.6 | 176.2 | 84.2 | 0 | 0 | 0 | 0 | 111.5 | E881 Y912 G930 A931 C932 R1182 | E881-S928 PolarHBondContact OE1-OG 2.9Å; Y912-S928 WeakPolarHBondContact OH-CA 3.46Å; S928-G930 VanDerWaalsContact C-N 3.3Å; S928-G930 PolarHBondContact O-N 3.38Å; S928-A931 WeakPolarHBondContact O-CA 3.43Å; S928-A931 WeakPolarHBondContact O-CB 3.28Å; S928-A931 PolarHBondContact O-N 2.7Å; S928-A931 PolarHBondContact OG-N 3.29Å; S928-A931 VanDerWaalsContact OG-N 3.15Å; S928-C932 PolarHBondContact O-N 3.23Å; S928-C932 PolarHBondContact O-SG 3.2Å; S928-R1182 PolarHBondContact OG-NH2 2.97Å | ||
| 929 | L | 84.1 | Confident | 83 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.3 | -48 | 176.4 | 179.5 | 56.7 | 0 | 0 | 0 | 111.3 | I693 Y912 A931 C932 H933 | I693-L929 HydrophobicContact CD1-CD1 3.87Å; I693-L929 HydrophobicContact CG1-CD1 4.22Å; Y912-L929 HydrophobicContact CD1-CB 4.47Å; Y912-L929 HydrophobicContact CD2-CB 4.07Å; Y912-L929 HydrophobicContact CD2-CD1 4.13Å; Y912-L929 HydrophobicContact CE2-CB 4.32Å; Y912-L929 HydrophobicContact CG-CB 4.14Å; Y912-L929 HydrophobicContact CG-CD1 4.28Å; L929-A931 VanDerWaalsContact C-N 3.26Å; L929-A931 PolarHBondContact O-N 3.45Å; L929-C932 WeakPolarHBondContact O-CB 3.42Å; L929-C932 PolarHBondContact O-N 3.19Å; L929-C932 VanDerWaalsContact O-N 3.12Å; L929-H933 WeakPolarHBondContact CD1-NE2 3.15Å; L929-H933 PolarHBondContact O-CD2 3.2Å; L929-H933 VanDerWaalsContact O-CD2 3.25Å; L929-H933 PolarHBondContact O-N 3.49Å; L929-H933 VanDerWaalsContact O-N 3.12Å |
| 930 | G | 85.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -32.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E881 S928 L934 | E881-G930 WeakPolarHBondContact OE1-CA 3.44Å; E881-G930 PolarHBondContact OE1-N 3.02Å; S928-G930 VanDerWaalsContact C-N 3.3Å; S928-G930 PolarHBondContact O-N 3.38Å; G930-L934 WeakPolarHBondContact O-CB 3.49Å; G930-L934 PolarHBondContact O-N 3.27Å |
| 931 | A | 87.1 | Confident | 84.5 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K877 R927 S928 L929 H933 L934 Y935 | K877-A931 HydrophobicContact CD-CB 4.16Å; R927-A931 HydrophobicContact CB-CB 4.24Å; S928-A931 WeakPolarHBondContact O-CA 3.43Å; S928-A931 WeakPolarHBondContact O-CB 3.28Å; S928-A931 PolarHBondContact O-N 2.7Å; S928-A931 PolarHBondContact OG-N 3.29Å; S928-A931 VanDerWaalsContact OG-N 3.15Å; L929-A931 VanDerWaalsContact C-N 3.26Å; L929-A931 PolarHBondContact O-N 3.45Å; A931-H933 VanDerWaalsContact C-N 3.35Å; A931-H933 PolarHBondContact O-N 3.26Å; A931-L934 PolarHBondContact O-N 3.02Å; A931-Y935 WeakPolarHBondContact O-CB 3.37Å; A931-Y935 VanDerWaalsContact O-CD1 3.32Å; A931-Y935 WeakPolarHBondContact O-CD1 3.46Å; A931-Y935 VanDerWaalsContact O-CG 3.25Å; A931-Y935 PolarHBondContact O-N 3.02Å |
| 932 | C | 89.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.9 | -49.3 | 175.9 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | I692 I693 I696 S928 L929 S936 | I692-C932 HydrophobicContact CG2-CB 4.4Å; I693-C932 HydrophobicContact CG1-CB 4.3Å; I696-C932 HydrophobicContact CB-CB 4.34Å; I696-C932 HydrophobicContact CG1-CB 4.22Å; I696-C932 WeakPolarHBondContact CG1-O 3.46Å; I696-C932 HydrophobicContact CG2-CB 4.28Å; S928-C932 PolarHBondContact O-N 3.23Å; S928-C932 PolarHBondContact O-SG 3.2Å; L929-C932 WeakPolarHBondContact O-CB 3.42Å; L929-C932 PolarHBondContact O-N 3.19Å; L929-C932 VanDerWaalsContact O-N 3.12Å; C932-S936 PolarHBondContact O-N 2.89Å |
| 933 | H | 90.9 | Very high | 86.7 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 6% | 0.06 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.5 | -49.5 | 178.2 | -72.7 | -78.9 | 0 | 0 | 0 | 112.2 | D689 L880 I884 L929 A931 Y935 S936 L937 | D689-H933 IonicContact OD1-CE1 3.64Å; D689-H933 PolarHBondContact OD1-CE1 2.93Å; D689-H933 VanDerWaalsContact OD1-CE1 3.3Å; L880-H933 HydrophobicContact CD2-CB 3.16Å; I884-H933 HydrophobicContact CD1-CB 4.4Å; I884-H933 VanDerWaalsContact CD1-CD2 3.42Å; I884-H933 WeakPolarHBondContact CD1-CD2 3.35Å; L929-H933 WeakPolarHBondContact CD1-NE2 3.15Å; L929-H933 PolarHBondContact O-CD2 3.2Å; L929-H933 VanDerWaalsContact O-CD2 3.25Å; L929-H933 PolarHBondContact O-N 3.49Å; L929-H933 VanDerWaalsContact O-N 3.12Å; A931-H933 VanDerWaalsContact C-N 3.35Å; A931-H933 PolarHBondContact O-N 3.26Å; H933-Y935 PolarHBondContact O-N 2.83Å; H933-S936 PolarHBondContact O-N 3.26Å; H933-S936 PolarHBondContact O-OG 3.4Å; H933-L937 WeakPolarHBondContact O-CG 3.44Å; H933-L937 PolarHBondContact O-N 3.02Å |
| 934 | L | 92.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.5 | -42.7 | -179.8 | 177 | 60.7 | 0 | 0 | 0 | 112.2 | L873 M876 K877 G930 A931 S936 L937 V942 L945 | L873-L934 HydrophobicContact CD2-CD2 3.91Å; M876-L934 HydrophobicContact CE-CD1 4.05Å; K877-L934 HydrophobicContact CD-CD2 4.49Å; K877-L934 HydrophobicContact CG-CB 4.45Å; K877-L934 HydrophobicContact CG-CD2 3.62Å; G930-L934 WeakPolarHBondContact O-CB 3.49Å; G930-L934 PolarHBondContact O-N 3.27Å; A931-L934 PolarHBondContact O-N 3.02Å; L934-S936 PolarHBondContact O-N 3.21Å; L934-L937 HydrophobicContact CD1-CD1 4.28Å; L934-L937 PolarHBondContact O-N 3.35Å; L934-V942 HydrophobicContact CD1-CG2 4.41Å; L934-L945 HydrophobicContact CD1-CD2 3.79Å |
| 935 | Y | 94 | Very high | 88.6 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.4 | -18.4 | -176.3 | -71.1 | 14.1 | 0 | 0 | 0 | 112.6 | C773 R776 D836 V838 Q839 L842 A931 H933 | C773-Y935 WeakPolarHBondContact CA-O 3.49Å; C773-Y935 PolarHBondContact N-O 3.08Å; R776-Y935 PolarHBondContact NH1-O 3.08Å; D836-Y935 WeakPolarHBondContact OD2-CE2 3.37Å; D836-Y935 PolarHBondContact OD2-OH 3.48Å; V838-Y935 HydrophobicContact CB-CD2 3.97Å; V838-Y935 HydrophobicContact CB-CE2 3.91Å; V838-Y935 HydrophobicContact CG1-CD1 4.39Å; V838-Y935 HydrophobicContact CG1-CD2 3.6Å; V838-Y935 HydrophobicContact CG1-CE2 3.97Å; V838-Y935 HydrophobicContact CG1-CG 3.84Å; V838-Y935 HydrophobicContact CG2-CD2 4.37Å; Q839-Y935 VanDerWaalsContact CG-OH 3.28Å; Q839-Y935 WeakPolarHBondContact CG-OH 3.43Å; Q839-Y935 PolarHBondContact NE2-OH 3.05Å; Q839-Y935 VanDerWaalsContact NE2-OH 3.13Å; L842-Y935 HydrophobicContact CD1-CD1 3.42Å; L842-Y935 VanDerWaalsContact CD1-CD1 3.42Å; L842-Y935 HydrophobicContact CD1-CE1 3.51Å; L842-Y935 HydrophobicContact CD1-CG 4.27Å; A931-Y935 WeakPolarHBondContact O-CB 3.37Å; A931-Y935 VanDerWaalsContact O-CD1 3.32Å; A931-Y935 WeakPolarHBondContact O-CD1 3.46Å; A931-Y935 VanDerWaalsContact O-CG 3.25Å; A931-Y935 PolarHBondContact O-N 3.02Å; H933-Y935 PolarHBondContact O-N 2.83Å |
| 936 | S | 92 | Very high | 89.7 | Confident | 23 Ų | 23 | 22.1 Ų | 22.1 | 16% | 0.161 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -89.8 | -15.1 | 174.9 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | C932 H933 L934 | C932-S936 PolarHBondContact O-N 2.89Å; H933-S936 PolarHBondContact O-N 3.26Å; H933-S936 PolarHBondContact O-OG 3.4Å; L934-S936 PolarHBondContact O-N 3.21Å |
| 937 | L | 92.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 19.9 Ų | 19.9 | 13% | 0.131 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -67.8 | 138.6 | -177.2 | -68.9 | 179.7 | 0 | 0 | 0 | 112 | R776 L880 H933 L934 Q941 V942 L945 | R776-L937 PolarHBondContact NH1-O 2.62Å; R776-L937 PolarHBondContact NH2-O 3.39Å; L880-L937 HydrophobicContact CD1-CD1 3.77Å; H933-L937 WeakPolarHBondContact O-CG 3.44Å; H933-L937 PolarHBondContact O-N 3.02Å; L934-L937 HydrophobicContact CD1-CD1 4.28Å; L934-L937 PolarHBondContact O-N 3.35Å; L937-Q941 HydrophobicContact CB-CB 4.24Å; L937-Q941 HydrophobicContact CD2-CB 4.21Å; L937-Q941 VanDerWaalsContact CD2-OE1 3.28Å; L937-V942 HydrophobicContact CB-CG2 3.83Å; L937-L945 HydrophobicContact CD1-CD2 3.95Å |
| 938 | P | 91.9 | Very high | 91.2 | Very high | 19 Ų | 19 | 21.8 Ų | 21.8 | 12% | 0.123 | 11% | 0.112 | C | C | . | . | trans | -59.2 | 150.6 | 165.6 | 20.3 | -28.5 | 0 | 0 | 0 | 111.7 | D560 W772 C940 Q941 V942 | D560-P938 WeakPolarHBondContact OD2-CB 3.28Å; W772-P938 HydrophobicContact CD2-CB 4.41Å; W772-P938 HydrophobicContact CZ2-CB 3.94Å; P938-C940 VanDerWaalsContact C-N 3.26Å; P938-C940 PolarHBondContact O-N 3.48Å; P938-Q941 VanDerWaalsContact CD-OE1 3.26Å; P938-Q941 HydrophobicContact CG-CB 3.89Å; P938-Q941 HydrophobicContact CG-CG 3.7Å; P938-Q941 PolarHBondContact O-N 3.45Å; P938-V942 PolarHBondContact O-N 2.86Å | ||
| 939 | P | 91.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 20.6 Ų | 20.6 | 5% | 0.045 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -51.3 | -37 | 178.6 | -30.5 | 36.8 | 0 | 0 | 0 | 114.9 | Y556 L557 D560 V563 W772 Q941 V942 K943 | Y556-P939 HydrophobicContact CE2-CG 4.44Å; L557-P939 HydrophobicContact CD2-CB 3.54Å; L557-P939 HydrophobicContact CD2-CG 3.53Å; D560-P939 WeakPolarHBondContact OD2-CD 3.37Å; V563-P939 HydrophobicContact CG2-CB 3.92Å; W772-P939 HydrophobicContact CE3-CG 4.04Å; W772-P939 VanDerWaalsContact CH2-CD 3.43Å; W772-P939 HydrophobicContact CH2-CG 3.96Å; W772-P939 HydrophobicContact CZ3-CG 3.65Å; P939-Q941 PolarHBondContact O-N 3.4Å; P939-V942 PolarHBondContact O-N 2.97Å; P939-K943 PolarHBondContact O-N 2.95Å |
| 940 | C | 90.7 | Very high | 92.2 | Very high | 14 Ų | 14 | 20.1 Ų | 20.1 | 10% | 0.095 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 174.8 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | D560 Q562 V563 P938 V942 K943 D944 | D560-C940 PolarHBondContact OD1-SG 3.23Å; D560-C940 VanDerWaalsContact OD2-CB 3.3Å; D560-C940 WeakPolarHBondContact OD2-CB 3.44Å; D560-C940 PolarHBondContact OD2-N 2.8Å; D560-C940 PolarHBondContact OD2-SG 3.4Å; Q562-C940 HydrophobicContact CB-CB 3.76Å; Q562-C940 HydrophobicContact CG-CB 3.8Å; V563-C940 HydrophobicContact CG2-CB 3.96Å; P938-C940 VanDerWaalsContact C-N 3.26Å; P938-C940 PolarHBondContact O-N 3.48Å; C940-V942 VanDerWaalsContact C-N 3.34Å; C940-K943 WeakPolarHBondContact O-CB 3.44Å; C940-K943 PolarHBondContact O-N 3.47Å; C940-D944 PolarHBondContact O-N 3.14Å |
| 941 | Q | 92.2 | Very high | 92.6 | Very high | 45 Ų | 45 | 25.1 Ų | 25.1 | 21% | 0.21 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -72.1 | -29.2 | 177.8 | -71.6 | -178.9 | -1.6 | 0 | 0 | 112 | L937 P938 P939 D944 L945 | L937-Q941 HydrophobicContact CB-CB 4.24Å; L937-Q941 HydrophobicContact CD2-CB 4.21Å; L937-Q941 VanDerWaalsContact CD2-OE1 3.28Å; P938-Q941 VanDerWaalsContact CD-OE1 3.26Å; P938-Q941 HydrophobicContact CG-CB 3.89Å; P938-Q941 HydrophobicContact CG-CG 3.7Å; P938-Q941 PolarHBondContact O-N 3.45Å; P939-Q941 PolarHBondContact O-N 3.4Å; Q941-D944 PolarHBondContact O-N 2.98Å; Q941-L945 VanDerWaalsContact O-CB 3.25Å; Q941-L945 WeakPolarHBondContact O-CB 3.49Å; Q941-L945 PolarHBondContact O-N 3.23Å |
| 942 | V | 93.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 169.5 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | L842 M876 L934 L937 P938 P939 C940 L945 L946 | L842-V942 HydrophobicContact CD2-CG1 4.32Å; L842-V942 HydrophobicContact CD2-CG2 4.23Å; M876-V942 HydrophobicContact CE-CG1 3.78Å; M876-V942 WeakPolarHBondContact CE-O 3.4Å; L934-V942 HydrophobicContact CD1-CG2 4.41Å; L937-V942 HydrophobicContact CB-CG2 3.83Å; P938-V942 PolarHBondContact O-N 2.86Å; P939-V942 PolarHBondContact O-N 2.97Å; C940-V942 VanDerWaalsContact C-N 3.34Å; V942-L945 PolarHBondContact O-N 3.28Å; V942-L946 WeakPolarHBondContact O-CB 3.31Å; V942-L946 PolarHBondContact O-N 3.32Å |
| 943 | K | 92.5 | Very high | 92.5 | Very high | 51 Ų | 51 | 25.4 Ų | 25.4 | 22% | 0.222 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.9 | -174.4 | -179.7 | -177.7 | 176.9 | 0 | 112 | S852 P939 C940 L945 L946 L947 | S852-K943 PolarHBondContact OG-NZ 3.49Å; P939-K943 PolarHBondContact O-N 2.95Å; C940-K943 WeakPolarHBondContact O-CB 3.44Å; C940-K943 PolarHBondContact O-N 3.47Å; K943-L945 VanDerWaalsContact C-N 3.35Å; K943-L946 WeakPolarHBondContact O-CB 3.29Å; K943-L946 PolarHBondContact O-N 2.94Å; K943-L947 PolarHBondContact O-N 3.31Å |
| 944 | D | 92.5 | Very high | 92.1 | Very high | 80 Ų | 80 | 26.7 Ų | 26.7 | 43% | 0.428 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65.1 | -38.5 | 177.2 | -71.9 | -20.8 | 0 | 0 | 0 | 112 | C940 Q941 L947 R948 | C940-D944 PolarHBondContact O-N 3.14Å; Q941-D944 PolarHBondContact O-N 2.98Å; D944-L947 PolarHBondContact O-N 2.88Å; D944-R948 WeakPolarHBondContact O-CG 3.5Å; D944-R948 PolarHBondContact O-N 2.74Å; D944-R948 PolarHBondContact O-NE 3.48Å |
| 945 | L | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 172.8 | 177.6 | 61.8 | 0 | 0 | 0 | 111.2 | M876 K879 L880 L934 L937 Q941 V942 K943 L947 R948 T949 | M876-L945 HydrophobicContact CB-CD2 3.91Å; M876-L945 HydrophobicContact CB-CG 4.2Å; M876-L945 HydrophobicContact CE-CB 4.14Å; M876-L945 HydrophobicContact CE-CD2 3.82Å; M876-L945 HydrophobicContact CE-CG 3.96Å; M876-L945 HydrophobicContact CG-CD2 4.48Å; M876-L945 HydrophobicContact CG-CG 4.36Å; K879-L945 HydrophobicContact CB-CD1 4.43Å; K879-L945 HydrophobicContact CG-CD1 4.13Å; L880-L945 HydrophobicContact CB-CD1 4.41Å; L880-L945 HydrophobicContact CB-CD2 4.44Å; L880-L945 HydrophobicContact CD1-CD1 3.86Å; L880-L945 HydrophobicContact CD1-CD2 3.39Å; L880-L945 HydrophobicContact CD1-CG 4.19Å; L934-L945 HydrophobicContact CD1-CD2 3.79Å; L937-L945 HydrophobicContact CD1-CD2 3.95Å; Q941-L945 VanDerWaalsContact O-CB 3.25Å; Q941-L945 WeakPolarHBondContact O-CB 3.49Å; Q941-L945 PolarHBondContact O-N 3.23Å; V942-L945 PolarHBondContact O-N 3.28Å; K943-L945 VanDerWaalsContact C-N 3.35Å; L945-L947 VanDerWaalsContact C-N 3.33Å; L945-L947 PolarHBondContact O-N 3.2Å; L945-R948 PolarHBondContact O-N 3.15Å; L945-T949 VanDerWaalsContact O-CB 3.28Å; L945-T949 WeakPolarHBondContact O-CB 3.39Å; L945-T949 PolarHBondContact O-N 3.2Å; L945-T949 PolarHBondContact O-OG1 3.41Å |
| 946 | L | 96.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 175.2 | 173.9 | 62.8 | 0 | 0 | 0 | 110.9 | L846 V850 L853 L872 M876 V942 K943 R948 T949 L950 | L846-L946 HydrophobicContact CD2-CD1 4.47Å; L846-L946 HydrophobicContact CD2-CD2 4.04Å; V850-L946 HydrophobicContact CG2-CD2 3.85Å; L853-L946 HydrophobicContact CD1-CD2 3.74Å; L853-L946 HydrophobicContact CD1-CG 3.91Å; L872-L946 HydrophobicContact CD1-CD1 3.79Å; L872-L946 HydrophobicContact CD2-CD1 3.84Å; L872-L946 HydrophobicContact CG-CD1 4.02Å; M876-L946 HydrophobicContact CE-CB 4.05Å; M876-L946 HydrophobicContact SD-CB 4.23Å; M876-L946 HydrophobicContact SD-CD1 4.18Å; V942-L946 WeakPolarHBondContact O-CB 3.31Å; V942-L946 PolarHBondContact O-N 3.32Å; K943-L946 WeakPolarHBondContact O-CB 3.29Å; K943-L946 PolarHBondContact O-N 2.94Å; L946-R948 PolarHBondContact O-N 2.92Å; L946-T949 PolarHBondContact O-N 3.15Å; L946-L950 HydrophobicContact CD1-CD1 3.97Å; L946-L950 HydrophobicContact CD1-CG 4.08Å; L946-L950 HydrophobicContact CG-CD1 4.05Å; L946-L950 WeakPolarHBondContact O-CG 3.43Å; L946-L950 PolarHBondContact O-N 2.94Å |
| 947 | L | 94.4 | Very high | 88.2 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 22% | 0.215 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.5 | -47.9 | 176.9 | 176.8 | 62.7 | 0 | 0 | 0 | 111.6 | L853 L860 K943 D944 L945 L950 K951 | L853-L947 HydrophobicContact CD2-CD1 4.15Å; L860-L947 HydrophobicContact CD1-CD1 3.36Å; L860-L947 HydrophobicContact CD2-CD1 4.43Å; K943-L947 PolarHBondContact O-N 3.31Å; D944-L947 PolarHBondContact O-N 2.88Å; L945-L947 VanDerWaalsContact C-N 3.33Å; L945-L947 PolarHBondContact O-N 3.2Å; L947-L950 PolarHBondContact O-N 3.44Å; L947-K951 HydrophobicContact CG-CD 4.45Å; L947-K951 WeakPolarHBondContact O-CG 3.34Å; L947-K951 PolarHBondContact O-N 3.49Å |
| 948 | R | 93.4 | Very high | 86.2 | Confident | 92 Ų | 92 | 39.4 Ų | 39.4 | 35% | 0.347 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.8 | -36.5 | 178.3 | -70.8 | 178.3 | -64.9 | 129.9 | -6.4 | 112.5 | E883 D944 L945 L946 K951 A952 | E883-R948 IonicContact OE1-CZ 3.63Å; E883-R948 IonicContact OE1-NH1 3.32Å; E883-R948 PolarHBondContact OE1-NH1 3.25Å; E883-R948 IonicContact OE2-CZ 3.86Å; E883-R948 IonicContact OE2-NH1 3.77Å; E883-R948 PolarHBondContact OE2-NH1 3.48Å; E883-R948 IonicContact OE2-NH2 2.74Å; D944-R948 WeakPolarHBondContact O-CG 3.5Å; D944-R948 PolarHBondContact O-N 2.74Å; D944-R948 PolarHBondContact O-NE 3.48Å; L945-R948 PolarHBondContact O-N 3.15Å; L946-R948 PolarHBondContact O-N 2.92Å; R948-K951 PolarHBondContact O-N 3.04Å; R948-A952 WeakPolarHBondContact O-CB 3.49Å; R948-A952 PolarHBondContact O-N 3.44Å |
| 949 | T | 94.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -45.9 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | A875 M876 K879 L945 L946 A952 G953 L1057 L1061 | A875-T949 HydrophobicContact CB-CG2 3.81Å; M876-T949 HydrophobicContact CG-CG2 4.23Å; K879-T949 HydrophobicContact CB-CG2 4.35Å; L945-T949 VanDerWaalsContact O-CB 3.28Å; L945-T949 WeakPolarHBondContact O-CB 3.39Å; L945-T949 PolarHBondContact O-N 3.2Å; L945-T949 PolarHBondContact O-OG1 3.41Å; L946-T949 PolarHBondContact O-N 3.15Å; T949-A952 PolarHBondContact O-N 3.34Å; T949-G953 PolarHBondContact O-N 3.34Å; T949-G953 VanDerWaalsContact O-N 3.1Å; T949-L1057 HydrophobicContact CG2-CD1 3.85Å; T949-L1061 HydrophobicContact CG2-CD2 4.31Å |
| 950 | L | 94.6 | Very high | 82 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 176.2 | -70.6 | 170.4 | 0 | 0 | 0 | 111.8 | L853 L860 F861 I864 L946 L947 A952 G953 Q954 L1061 | L853-L950 HydrophobicContact CD1-CD1 4.02Å; L860-L950 HydrophobicContact CB-CB 4.36Å; L860-L950 HydrophobicContact CB-CD1 4.44Å; F861-L950 HydrophobicContact CE1-CD1 3.85Å; F861-L950 HydrophobicContact CE1-CD2 4.3Å; F861-L950 HydrophobicContact CE2-CD1 4.16Å; F861-L950 HydrophobicContact CZ-CD1 3.61Å; I864-L950 HydrophobicContact CD1-CD2 3.87Å; L946-L950 HydrophobicContact CD1-CD1 3.97Å; L946-L950 HydrophobicContact CD1-CG 4.08Å; L946-L950 HydrophobicContact CG-CD1 4.05Å; L946-L950 WeakPolarHBondContact O-CG 3.43Å; L946-L950 PolarHBondContact O-N 2.94Å; L947-L950 PolarHBondContact O-N 3.44Å; L950-A952 PolarHBondContact O-N 3.13Å; L950-G953 PolarHBondContact O-N 3.47Å; L950-G953 VanDerWaalsContact O-N 3.13Å; L950-Q954 WeakPolarHBondContact O-CG 3.33Å; L950-Q954 PolarHBondContact O-N 3.08Å; L950-L1061 HydrophobicContact CD2-CD2 4.21Å |
| 951 | K | 92.1 | Very high | 79.4 | Confident | 105 Ų | 105 | 47.6 Ų | 47.6 | 46% | 0.457 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 175.4 | -77 | 179.1 | 177.7 | -177.3 | 0 | 112.2 | L860 L947 R948 G953 Q954 E955 | L860-K951 HydrophobicContact CD2-CG 3.76Å; L947-K951 HydrophobicContact CG-CD 4.45Å; L947-K951 WeakPolarHBondContact O-CG 3.34Å; L947-K951 PolarHBondContact O-N 3.49Å; R948-K951 PolarHBondContact O-N 3.04Å; K951-G953 VanDerWaalsContact C-N 3.25Å; K951-G953 PolarHBondContact O-N 3.46Å; K951-Q954 WeakPolarHBondContact O-CB 3.42Å; K951-Q954 PolarHBondContact O-N 2.99Å; K951-E955 PolarHBondContact O-N 3.04Å; K951-E955 VanDerWaalsContact O-N 3.12Å |
| 952 | A | 89 | Confident | 76.9 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -34.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R948 T949 L950 Q954 Q1054 L1057 | R948-A952 WeakPolarHBondContact O-CB 3.49Å; R948-A952 PolarHBondContact O-N 3.44Å; T949-A952 PolarHBondContact O-N 3.34Å; L950-A952 PolarHBondContact O-N 3.13Å; A952-Q954 VanDerWaalsContact C-N 3.35Å; A952-Q1054 PolarHBondContact O-NE2 3Å; A952-L1057 HydrophobicContact CB-CD2 3.68Å |
| 953 | G | 86.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -33.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T949 L950 K951 | T949-G953 PolarHBondContact O-N 3.34Å; T949-G953 VanDerWaalsContact O-N 3.1Å; L950-G953 PolarHBondContact O-N 3.47Å; L950-G953 VanDerWaalsContact O-N 3.13Å; K951-G953 VanDerWaalsContact C-N 3.25Å; K951-G953 PolarHBondContact O-N 3.46Å |
| 954 | Q | 83.9 | Confident | 70.5 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 19% | 0.187 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.4 | -32.6 | 178.8 | -64.5 | -56.2 | -39.4 | 0 | 0 | 113.1 | L860 D862 L950 K951 A952 G956 K957 | L860-Q954 PolarHBondContact O-NE2 3.3Å; D862-Q954 PolarHBondContact O-NE2 2.93Å; D862-Q954 VanDerWaalsContact O-NE2 3.12Å; L950-Q954 WeakPolarHBondContact O-CG 3.33Å; L950-Q954 PolarHBondContact O-N 3.08Å; K951-Q954 WeakPolarHBondContact O-CB 3.42Å; K951-Q954 PolarHBondContact O-N 2.99Å; A952-Q954 VanDerWaalsContact C-N 3.35Å; Q954-G956 PolarHBondContact O-N 3.03Å; Q954-K957 PolarHBondContact O-N 2.78Å |
| 955 | E | 75.9 | Confident | 67.3 | Low | 141 Ų | 141 | 58.4 Ų | 58.4 | 66% | 0.659 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.3 | -33.7 | 176.9 | -71.2 | 171.3 | -168.7 | 0 | 0 | 112.4 | K951 K957 T958 | K951-E955 PolarHBondContact O-N 3.04Å; K951-E955 VanDerWaalsContact O-N 3.12Å; E955-K957 VanDerWaalsContact C-N 3.28Å; E955-K957 PolarHBondContact O-N 2.9Å; E955-T958 PolarHBondContact O-OG1 3.41Å |
| 956 | G | 60.5 | Low | 64.1 | Low | 4 Ų | 4 | 66.6 Ų | 66.6 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -65.4 | -21.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q954 T958 K959 | Q954-G956 PolarHBondContact O-N 3.03Å; G956-T958 PolarHBondContact O-N 3.43Å; G956-T958 VanDerWaalsContact O-N 3.11Å; G956-K959 WeakPolarHBondContact O-CB 3.28Å; G956-K959 PolarHBondContact O-N 3.46Å |
| 957 | K | 59.5 | Low | 60.6 | Low | 59 Ų | 59 | 74.1 Ų | 74.1 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -62 | -23.6 | -175.1 | -78.5 | -176.3 | 174.5 | 170.6 | 0 | 114.9 | D862 Q954 E955 K959 Y960 V1063 | D862-K957 VanDerWaalsContact O-CE 3.27Å; D862-K957 WeakPolarHBondContact O-CE 3.48Å; D862-K957 PolarHBondContact O-NZ 3.39Å; Q954-K957 PolarHBondContact O-N 2.78Å; E955-K957 VanDerWaalsContact C-N 3.28Å; E955-K957 PolarHBondContact O-N 2.9Å; K957-K959 PolarHBondContact O-N 2.76Å; K957-K959 VanDerWaalsContact O-N 3.12Å; K957-Y960 PolarHBondContact O-N 3Å; K957-V1063 HydrophobicContact CG-CG1 4.48Å |
| 958 | T | 51.3 | Low | 57.2 | Low | 116 Ų | 116 | 76.4 Ų | 76.4 | 71% | 0.712 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -59.8 | -20.6 | 175.3 | 50 | 0 | 0 | 0 | 0 | 112.7 | E955 G956 | E955-T958 PolarHBondContact O-OG1 3.41Å; G956-T958 PolarHBondContact O-N 3.43Å; G956-T958 VanDerWaalsContact O-N 3.11Å |
| 959 | K | 49.3 | Very low | 54 | Low | 76 Ų | 76 | 78.6 Ų | 78.6 | 33% | 0.33 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -77.6 | -20.1 | 179.7 | -67.9 | -179.6 | 177.7 | 175.2 | 0 | 115.2 | G956 K957 N1208 | G956-K959 WeakPolarHBondContact O-CB 3.28Å; G956-K959 PolarHBondContact O-N 3.46Å; K957-K959 PolarHBondContact O-N 2.76Å; K957-K959 VanDerWaalsContact O-N 3.12Å; K959-N1208 PolarHBondContact O-ND2 2.68Å |
| 960 | Y | 44.2 | Very low | 50.6 | Low | 41 Ų | 41 | 82.5 Ų | 82.5 | 16% | 0.161 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -5.3 | -178.4 | -62.5 | -74.7 | 0 | 0 | 0 | 114.4 | K957 L962 P1065 S1124 E1128 | K957-Y960 PolarHBondContact O-N 3Å; Y960-L962 VanDerWaalsContact C-N 3.32Å; Y960-L962 PolarHBondContact O-N 3.33Å; Y960-P1065 HydrophobicContact CD2-CG 4.5Å; Y960-P1065 HydrophobicContact CG-CG 4.09Å; Y960-S1124 PolarHBondContact OH-OG 2.94Å; Y960-E1128 HydrophobicContact CE1-CB 4.04Å; Y960-E1128 HydrophobicContact CE1-CG 4.13Å |
| 961 | S | 38 | Very low | 47.4 | Very low | 94 Ų | 94 | 88.9 Ų | 88.9 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | trans | -82.2 | 76.4 | -176.8 | -148.8 | 0 | 0 | 0 | 0 | 111.3 | N963 | S961-N963 PolarHBondContact O-N 3.21Š| ||
| 962 | L | 37.9 | Very low | 44.2 | Very low | 82 Ų | 82 | 94 Ų | 94 | 43% | 0.429 | 53% | 0.531 | S | S | . | . | trans | -82.8 | 102.8 | 164.9 | -82.6 | 147.6 | 0 | 0 | 0 | 107.7 | Y960 | Y960-L962 VanDerWaalsContact C-N 3.32Å; Y960-L962 PolarHBondContact O-N 3.33Å | ||
| 963 | N | 29.6 | Very low | 41.3 | Very low | 109 Ų | 109 | 97.4 Ų | 97.4 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | trans | 83.7 | 104.8 | 174.6 | -60.4 | -12 | 0 | 0 | 0 | 117.9 | S961 R1139 | S961-N963 PolarHBondContact O-N 3.21Å; N963-R1139 PolarHBondContact ND2-NH2 2.74Å | ||
| 964 | S | 23.5 | Very low | 38.3 | Very low | 107 Ų | 107 | 104.2 Ų | 104.2 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | trans | -122.7 | 98.3 | 135.3 | -160.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 965 | P | 25.3 | Very low | 35.6 | Very low | 107 Ų | 107 | 108.9 Ų | 108.9 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | trans | -73.3 | 137 | 157.5 | 32.3 | -25.8 | 0 | 0 | 0 | 106.4 | N967 | P965-N967 PolarHBondContact O-N 3Š| ||
| 966 | M | 25.9 | Very low | 33.3 | Very low | 171 Ų | 171 | 108.9 Ų | 108.9 | 84% | 0.842 | 64% | 0.642 | S | S | * | * | trans | -30.9 | 121.9 | -178.8 | -70.7 | -164.8 | 154.2 | 0 | 0 | 114.8 | S968 | M966-S968 PolarHBondContact O-N 3.29Š| ||
| 967 | N | 24.1 | Very low | 31.8 | Very low | 158 Ų | 158 | 115.6 Ų | 115.6 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | -66 | 78.1 | 147.9 | -89.3 | -17.6 | 0 | 0 | 0 | 108.2 | P965 | P965-N967 PolarHBondContact O-N 3Š| ||
| 968 | S | 23.3 | Very low | 30.4 | Very low | 90 Ų | 90 | 116 Ų | 116 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | trans | -93.6 | 95.4 | 145.3 | 51.9 | 0 | 0 | 0 | 0 | 106.1 | M966 A970 | M966-S968 PolarHBondContact O-N 3.29Å; S968-A970 PolarHBondContact O-N 2.89Å | ||
| 969 | T | 25.3 | Very low | 29.3 | Very low | 138 Ų | 138 | 118.9 Ų | 118.9 | 85% | 0.847 | 71% | 0.709 | S | S | * | * | trans | -58.5 | 92.2 | 161 | 37.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 970 | A | 23.3 | Very low | 28.3 | Very low | 82 Ų | 82 | 120.6 Ų | 120.6 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | trans | -97.5 | 103.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | S968 F972 | S968-A970 PolarHBondContact O-N 2.89Å; A970-F972 PolarHBondContact O-N 3.18Å | ||
| 971 | T | 27.3 | Very low | 27.7 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -51.4 | 117.7 | 165.5 | 3.5 | 0 | 0 | 0 | 0 | 109.5 | A973 | T971-A973 PolarHBondContact O-N 2.91Å; T971-A973 VanDerWaalsContact O-N 3.09Å | ||
| 972 | F | 25.8 | Very low | 27.4 | Very low | 212 Ų | 212 | 126.4 Ų | 126.4 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -70.2 | 98.6 | 163.1 | -93.5 | -90.6 | 0 | 0 | 0 | 108.4 | A970 | A970-F972 PolarHBondContact O-N 3.18Š| ||
| 973 | A | 26.3 | Very low | 27 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -90.7 | 126 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | T971 T975 | T971-A973 PolarHBondContact O-N 2.91Å; T971-A973 VanDerWaalsContact O-N 3.09Å; A973-T975 PolarHBondContact O-N 3.47Å | ||
| 974 | T | 25 | Very low | 27.1 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -50.9 | 122.3 | 173.1 | 35.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 975 | T | 26.3 | Very low | 27.3 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -89 | 111 | 172.8 | 29.2 | 0 | 0 | 0 | 0 | 111.2 | A973 | A973-T975 PolarHBondContact O-N 3.47Š| ||
| 976 | T | 28.7 | Very low | 27.6 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -103.7 | 132.4 | 148.2 | 21 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 977 | T | 28.5 | Very low | 27.6 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -69.3 | 142.2 | -170.7 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 978 | G | 29 | Very low | 27.8 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 168 | 83.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 979 | H | 29.4 | Very low | 28 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | 45.1 | 113.7 | 138.6 | -73 | -71.2 | 0 | 0 | 0 | 124.2 | ||||
| 980 | T | 26.6 | Very low | 28.1 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | 62.9 | 121.1 | 126.4 | 51.8 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 981 | T | 31.9 | Very low | 28.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | 128.9 | 110.5 | 124.6 | 53.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 982 | T | 31.6 | Very low | 28.5 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 53.5 | 137.5 | 140.4 | 52.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 983 | P | 30.8 | Very low | 28.7 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -105.4 | 157.7 | 178.7 | 40 | -31.3 | 0 | 0 | 0 | 114.6 | ||||
| 984 | T | 31.4 | Very low | 28.7 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -144.2 | 138.8 | 158.2 | 20.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 985 | T | 28 | Very low | 29 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -65.2 | 157.7 | -179.8 | 43.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 986 | V | 30 | Very low | 29.2 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 177.1 | 146.9 | 121 | 158.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 987 | S | 26.4 | Very low | 29.1 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 55% | 0.552 | 78% | 0.775 | S | S | * | * | trans | -65 | 163.5 | -171.7 | 51.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 988 | F | 29.3 | Very low | 29.1 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 77% | 0.772 | 78% | 0.775 | S | S | * | * | 171.6 | 123.8 | 107.4 | -100.3 | -77.6 | 0 | 0 | 0 | 115.4 | |||||
| 989 | N | 27.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 59.6 | 140.2 | 136.8 | -78.1 | -1.2 | 0 | 0 | 0 | 128.6 | ||||
| 990 | S | 27.6 | Very low | 28.8 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 92.1 | 134.6 | 148.2 | 85.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 991 | V | 31.5 | Very low | 28.8 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | cis | -155.9 | 144.6 | 29.7 | 166.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 992 | K | 25.8 | Very low | 28.4 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -82.3 | 158.2 | 166.3 | -83.2 | -179.3 | 174.9 | 178 | 0 | 111.1 | ||||
| 993 | P | 30.2 | Very low | 28.2 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -130.7 | 152.6 | 117.4 | 30.9 | -17.3 | 0 | 0 | 0 | 114.3 | |||||
| 994 | T | 27.5 | Very low | 28.1 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -68.1 | 140.1 | -174.8 | 42.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 995 | A | 30.8 | Very low | 27.8 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -121 | 120.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 996 | N | 30.7 | Very low | 27.7 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -93 | 133.9 | 176.8 | -98.6 | -16.9 | 0 | 0 | 0 | 110.3 | ||||
| 997 | N | 26.1 | Very low | 27.6 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 52.4 | 116.9 | 136.4 | -66 | -16 | 0 | 0 | 0 | 121.7 | ||||
| 998 | T | 29.1 | Very low | 27.7 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | 179 | 113.5 | 114.4 | 25.5 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 999 | R | 24.3 | Very low | 27.8 | Very low | 241 Ų | 241 | 137.2 Ų | 137.2 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | cis | 57.2 | 85.2 | 45.9 | -91.5 | -163.1 | -179.3 | -177.3 | 1.3 | 114.6 | ||||
| 1000 | E | 27.1 | Very low | 28 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -153.7 | 142.2 | 140.9 | -79.8 | -167.5 | 160.3 | 0 | 0 | 105.6 | ||||
| 1001 | L | 27 | Very low | 27.9 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | cis | -163.2 | 126.2 | -8.6 | -116.3 | 150.5 | 0 | 0 | 0 | 104.6 | ||||
| 1002 | S | 23.6 | Very low | 27.7 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -119.8 | 177.5 | 166 | 57.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1003 | V | 27 | Very low | 27.6 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 67% | 0.667 | 79% | 0.793 | S | S | * | * | trans | 94.2 | 122.7 | 163.8 | -151.8 | 0 | 0 | 0 | 0 | 112 | T1005 | V1003-T1005 HydrophobicContact CG1-CG2 4.2Š| ||
| 1004 | I | 29.3 | Very low | 27.4 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | -153.6 | 110.5 | 61.6 | -74.2 | 163.5 | 0 | 0 | 0 | 108.3 | |||||
| 1005 | T | 24.8 | Very low | 27.3 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 64% | 0.638 | 80% | 0.796 | S | S | * | * | 64.6 | 126.9 | 93 | 50 | 0 | 0 | 0 | 0 | 113.7 | V1003 | V1003-T1005 HydrophobicContact CG1-CG2 4.2Š| |||
| 1006 | E | 26.1 | Very low | 27.1 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | -165.9 | 164.1 | 69 | -91.1 | 179.7 | 164.5 | 0 | 0 | 114.4 | |||||
| 1007 | C | 28.5 | Very low | 26.8 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | 98.7 | 96.6 | 160.7 | -72.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1008 | G | 28.1 | Very low | 26.7 | Very low | 70 Ų | 70 | 153.3 Ų | 153.3 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | 97 | 123.3 | 120.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1009 | P | 30.5 | Very low | 26.5 | Very low | 130 Ų | 130 | 151.3 Ų | 151.3 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -93.9 | 131.2 | -178.9 | 35.1 | -28.1 | 0 | 0 | 0 | 112.1 | ||||
| 1010 | T | 32.3 | Very low | 26.5 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -134.4 | 127.4 | 161.7 | 42.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1011 | N | 26 | Very low | 26.4 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -21.7 | 122.2 | 169.6 | -84 | -40.5 | 0 | 0 | 0 | 116.7 | ||||
| 1012 | V | 26.3 | Very low | 26.4 | Very low | 134 Ų | 134 | 153.5 Ų | 153.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -118.5 | 84.4 | 155.3 | -175.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1013 | S | 23.7 | Very low | 26.6 | Very low | 111 Ų | 111 | 160.5 Ų | 160.5 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -112.2 | 28.3 | 164.8 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1014 | E | 26.1 | Very low | 26.5 | Very low | 172 Ų | 172 | 163.2 Ų | 163.2 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -140.8 | 92.3 | 172.7 | -83.5 | -168.5 | 141.9 | 0 | 0 | 108.8 | ||||
| 1015 | Y | 26 | Very low | 26.2 | Very low | 221 Ų | 221 | 167 Ų | 167 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | S | Bend | trans | 171.2 | 78.2 | 146 | -114.5 | -92 | 0 | 0 | 0 | 107.5 | ||
| 1016 | I | 26.4 | Very low | 26.4 | Very low | 158 Ų | 158 | 172.9 Ų | 172.9 | 81% | 0.81 | 85% | 0.851 | S | S | * | * | S | Bend | trans | 171.9 | 84.2 | 155.2 | -82.1 | 145.2 | 0 | 0 | 0 | 103.6 | ||
| 1017 | H | 24.5 | Very low | 26.4 | Very low | 186 Ų | 186 | 171 Ų | 171 | 86% | 0.861 | 85% | 0.847 | S | S | * | * | trans | 167.5 | 74.3 | 156.6 | -93.4 | -63.9 | 0 | 0 | 0 | 109.9 | ||||
| 1018 | R | 24.1 | Very low | 26.4 | Very low | 253 Ų | 253 | 172.2 Ų | 172.2 | 96% | 0.955 | 84% | 0.843 | S | S | * | * | trans | -155.2 | 140.1 | 154.3 | -116.8 | 173.3 | -170.8 | 162.9 | 4.1 | 110.4 | ||||
| 1019 | A | 25.7 | Very low | 26.3 | Very low | 99 Ų | 99 | 176.6 Ų | 176.6 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | 82 | 56.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1020 | R | 24.7 | Very low | 26.1 | Very low | 244 Ų | 244 | 177.9 Ų | 177.9 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -131.9 | 131.4 | 137 | -89.7 | -172.9 | 174.8 | 179.2 | -1.3 | 109.4 | ||
| 1021 | R | 23.8 | Very low | 25.8 | Very low | 238 Ų | 238 | 179.1 Ų | 179.1 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | trans | 82.3 | 96.7 | 175.7 | -61.2 | 179.2 | 171.3 | 170.9 | -2.1 | 116.9 | ||||
| 1022 | T | 26.3 | Very low | 25.7 | Very low | 137 Ų | 137 | 180 Ų | 180 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | -177 | 111.1 | 123.7 | 20 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1023 | R | 28.1 | Very low | 25.6 | Very low | 247 Ų | 247 | 185.7 Ų | 185.7 | 93% | 0.932 | 84% | 0.843 | S | S | * | * | 155.9 | 96.7 | 122.5 | -88.3 | 178.7 | 177.9 | 179.5 | 0.1 | 111.4 | |||||
| 1024 | L | 25 | Very low | 25.8 | Very low | 166 Ų | 166 | 186 Ų | 186 | 87% | 0.869 | 85% | 0.845 | S | S | * | * | trans | -88.2 | 143.6 | 147.9 | -118 | 116.5 | 0 | 0 | 0 | 107.9 | ||||
| 1025 | R | 24.3 | Very low | 25.7 | Very low | 231 Ų | 231 | 188.8 Ų | 188.8 | 87% | 0.872 | 85% | 0.848 | S | S | * | * | trans | 92.5 | 122.2 | 162.9 | -70.2 | -173.9 | 165.8 | -176.7 | -3.8 | 120.7 | ||||
| 1026 | R | 27.8 | Very low | 25.7 | Very low | 229 Ų | 229 | 185.4 Ų | 185.4 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | trans | 111 | 131.3 | 154 | -68.5 | -173.1 | 170.9 | 150 | -3.2 | 112.6 | ||||
| 1027 | N | 27.1 | Very low | 25.6 | Very low | 140 Ų | 140 | 182.7 Ų | 182.7 | 75% | 0.749 | 84% | 0.84 | S | S | * | * | cis | -160.3 | 158.3 | 5.3 | -108.2 | -13.5 | 0 | 0 | 0 | 109.6 | ||||
| 1028 | I | 27.2 | Very low | 25.9 | Very low | 152 Ų | 152 | 179.3 Ų | 179.3 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | trans | -61.4 | 123 | 167.4 | -66.6 | 153.8 | 0 | 0 | 0 | 110.2 | ||||
| 1029 | H | 26.9 | Very low | 26.1 | Very low | 162 Ų | 162 | 172 Ų | 172 | 75% | 0.75 | 83% | 0.831 | S | S | * | * | -175.3 | 135.2 | 126.5 | -105.9 | -50.7 | 0 | 0 | 0 | 112.1 | |||||
| 1030 | H | 25.1 | Very low | 26.5 | Very low | 158 Ų | 158 | 172.2 Ų | 172.2 | 73% | 0.731 | 81% | 0.814 | S | S | * | * | trans | 18.4 | 116.1 | 155.1 | -74.9 | -56.7 | 0 | 0 | 0 | 119.2 | ||||
| 1031 | D | 26.7 | Very low | 26.9 | Very low | 161 Ų | 161 | 163.6 Ų | 163.6 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -155.1 | 140.5 | 103 | -130.2 | -21.6 | 0 | 0 | 0 | 113.8 | |||||
| 1032 | K | 24.6 | Very low | 27.4 | Very low | 182 Ų | 182 | 157.4 Ų | 157.4 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -91.7 | 119 | 172.4 | -81 | 174.6 | 174 | 175 | 0 | 107 | ||||
| 1033 | R | 24.6 | Very low | 27.8 | Very low | 252 Ų | 252 | 156.1 Ų | 156.1 | 95% | 0.951 | 78% | 0.776 | S | S | * | * | trans | 171.4 | 149.3 | 134.5 | -97 | 161 | 179.2 | -172.1 | -0 | 113.6 | ||||
| 1034 | S | 27 | Very low | 28 | Very low | 117 Ų | 117 | 148 Ų | 148 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 85.2 | 90.4 | 164.3 | -151.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1035 | R | 24.6 | Very low | 28.4 | Very low | 232 Ų | 232 | 145.1 Ų | 145.1 | 88% | 0.875 | 73% | 0.734 | S | S | * | * | trans | -74.9 | 126.2 | 146.5 | -76.7 | 173.2 | 169.1 | 166.1 | -4.8 | 107.5 | ||||
| 1036 | N | 24.5 | Very low | 29.1 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -178.5 | 129.1 | 134.3 | -91.3 | -7.4 | 0 | 0 | 0 | 112.8 | ||||
| 1037 | S | 25.9 | Very low | 30 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | 56.9 | 119.5 | 142.3 | 63.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1038 | S | 30.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | trans | 60 | 108.2 | 131.8 | 66 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1039 | A | 28.6 | Very low | 32.3 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 83% | 0.826 | 67% | 0.667 | S | S | * | * | trans | -164.5 | 120.7 | 135.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1040 | F | 33.5 | Very low | 34.7 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 46% | 0.456 | 66% | 0.659 | S | S | . | * | trans | -60.7 | 143.3 | 162.3 | -84.5 | -90.5 | 0 | 0 | 0 | 108.9 | E1044 | F1040-E1044 HydrophobicContact CD1-CB 4.03Å; F1040-E1044 WeakPolarHBondContact CD1-OE2 3.49Å | ||
| 1041 | S | 33.2 | Very low | 37.5 | Very low | 63 Ų | 63 | 116.7 Ų | 116.7 | 44% | 0.441 | 63% | 0.626 | S | S | . | * | trans | -67.5 | 143.4 | 172.4 | 75.4 | 0 | 0 | 0 | 0 | 109.4 | T1043 E1044 | S1041-T1043 PolarHBondContact O-N 3.4Å; S1041-T1043 PolarHBondContact OG-OG1 2.97Å; S1041-E1044 PolarHBondContact O-N 3.4Å | ||
| 1042 | S | 33.2 | Very low | 40.3 | Very low | 108 Ų | 108 | 109.2 Ų | 109.2 | 76% | 0.755 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -16.6 | -173.1 | -36.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1043 | T | 34.8 | Very low | 43.3 | Very low | 109 Ų | 109 | 101.9 Ų | 101.9 | 67% | 0.669 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -23.1 | 175.1 | 18.9 | 0 | 0 | 0 | 0 | 114.7 | S1041 | S1041-T1043 PolarHBondContact O-N 3.4Å; S1041-T1043 PolarHBondContact OG-OG1 2.97Å |
| 1044 | E | 34 | Very low | 46.4 | Very low | 77 Ų | 77 | 91 Ų | 91 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -19.7 | -179.8 | -73.9 | 176.1 | 134.6 | 0 | 0 | 113.2 | F1040 S1041 L1046 | F1040-E1044 HydrophobicContact CD1-CB 4.03Å; F1040-E1044 WeakPolarHBondContact CD1-OE2 3.49Å; S1041-E1044 PolarHBondContact O-N 3.4Å; E1044-L1046 VanDerWaalsContact C-N 3.34Å; E1044-L1046 PolarHBondContact O-N 2.77Å |
| 1045 | L | 33.4 | Very low | 49.4 | Very low | 105 Ų | 105 | 86 Ų | 86 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -72.5 | -22.3 | 178.8 | -86.4 | 148.6 | 0 | 0 | 0 | 113.7 | D1047 I1048 | L1045-D1047 VanDerWaalsContact C-N 3.34Å; L1045-D1047 PolarHBondContact O-N 2.91Å; L1045-I1048 HydrophobicContact CD2-CD1 3.79Å; L1045-I1048 HydrophobicContact CG-CD1 4.37Å |
| 1046 | L | 38.1 | Very low | 52.6 | Low | 136 Ų | 136 | 75.8 Ų | 75.8 | 71% | 0.712 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -78.6 | -12.4 | 179.7 | -76.3 | 160 | 0 | 0 | 0 | 114 | E1044 | E1044-L1046 VanDerWaalsContact C-N 3.34Å; E1044-L1046 PolarHBondContact O-N 2.77Å |
| 1047 | D | 47.7 | Very low | 55.9 | Low | 84 Ų | 84 | 68.7 Ų | 68.7 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -98.6 | -4.8 | -177.3 | -88.2 | -23.7 | 0 | 0 | 0 | 114.5 | L1045 K1050 A1051 | L1045-D1047 VanDerWaalsContact C-N 3.34Å; L1045-D1047 PolarHBondContact O-N 2.91Å; D1047-K1050 PolarHBondContact O-N 3.32Å; D1047-A1051 PolarHBondContact O-N 3.28Å |
| 1048 | I | 46.1 | Very low | 59 | Low | 49 Ų | 49 | 64.1 Ų | 64.1 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | -172.1 | -56.7 | 177.3 | 0 | 0 | 0 | 112.9 | L1045 K1050 A1051 | L1045-I1048 HydrophobicContact CD2-CD1 3.79Å; L1045-I1048 HydrophobicContact CG-CD1 4.37Å; I1048-K1050 VanDerWaalsContact C-N 3.3Å; I1048-K1050 PolarHBondContact O-N 2.66Å; I1048-A1051 PolarHBondContact O-N 3.14Å |
| 1049 | P | 56.7 | Low | 62 | Low | 71 Ų | 71 | 58.8 Ų | 58.8 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.5 | -29.5 | 178.4 | -18.1 | 31.8 | 0 | 0 | 0 | 113 | A1051 F1053 | P1049-A1051 VanDerWaalsContact C-N 3.34Å; P1049-A1051 PolarHBondContact O-N 3.44Å; P1049-F1053 WeakPolarHBondContact O-CB 3.34Å; P1049-F1053 PolarHBondContact O-N 3.4Å |
| 1050 | K | 75.8 | Confident | 65.1 | Low | 133 Ų | 133 | 54.1 Ų | 54.1 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -68.9 | -32.6 | -178.7 | -71.7 | 178.1 | -179.2 | 170 | 0 | 112.1 | D1047 I1048 Q1054 | D1047-K1050 PolarHBondContact O-N 3.32Å; I1048-K1050 VanDerWaalsContact C-N 3.3Å; I1048-K1050 PolarHBondContact O-N 2.66Å; K1050-Q1054 VanDerWaalsContact O-CB 3.27Å; K1050-Q1054 WeakPolarHBondContact O-CB 3.4Å; K1050-Q1054 PolarHBondContact O-N 2.7Å |
| 1051 | A | 83.4 | Confident | 68 | Low | 3 Ų | 3 | 49.5 Ų | 49.5 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.2 | -47 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1047 I1048 P1049 Q1054 R1055 S1204 P1206 | D1047-A1051 PolarHBondContact O-N 3.28Å; I1048-A1051 PolarHBondContact O-N 3.14Å; P1049-A1051 VanDerWaalsContact C-N 3.34Å; P1049-A1051 PolarHBondContact O-N 3.44Å; A1051-Q1054 PolarHBondContact O-N 2.69Å; A1051-R1055 WeakPolarHBondContact O-CG 3.5Å; A1051-R1055 PolarHBondContact O-N 3.19Å; A1051-S1204 WeakPolarHBondContact CB-O 3.5Å; A1051-P1206 HydrophobicContact CB-CG 4.37Å |
| 1052 | L | 86.6 | Confident | 70.8 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 177.7 | 179.9 | 65.5 | 0 | 0 | 0 | 111.3 | Q1054 R1055 Q1056 A1121 V1179 T1203 | L1052-Q1054 VanDerWaalsContact C-N 3.29Å; L1052-Q1054 PolarHBondContact O-N 2.71Å; L1052-R1055 PolarHBondContact O-N 2.91Å; L1052-R1055 VanDerWaalsContact O-N 3.16Å; L1052-Q1056 HydrophobicContact CD1-CG 4.23Å; L1052-Q1056 HydrophobicContact CG-CG 4.33Å; L1052-Q1056 WeakPolarHBondContact O-CG 3.49Å; L1052-Q1056 PolarHBondContact O-N 2.98Å; L1052-A1121 HydrophobicContact CD1-CB 4.11Å; L1052-V1179 HydrophobicContact CD2-CG1 3.42Å; L1052-V1179 VanDerWaalsContact CD2-CG1 3.42Å; L1052-T1203 WeakPolarHBondContact CD1-OG1 3.42Å |
| 1053 | F | 87.7 | Confident | 73.6 | Confident | 28 Ų | 28 | 42.1 Ų | 42.1 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55 | -46.8 | 176.9 | 172.3 | -97.3 | 0 | 0 | 0 | 111.1 | L878 K879 L882 P1049 R1055 Q1056 L1057 | L878-F1053 HydrophobicContact CB-CE2 4.26Å; K879-F1053 HydrophobicContact CD-CZ 4.16Å; L882-F1053 HydrophobicContact CB-CD2 4.36Å; L882-F1053 HydrophobicContact CB-CE2 3.93Å; L882-F1053 HydrophobicContact CB-CZ 4.38Å; L882-F1053 HydrophobicContact CD2-CD1 3.85Å; L882-F1053 HydrophobicContact CD2-CD2 3.97Å; L882-F1053 HydrophobicContact CD2-CE1 3.57Å; L882-F1053 HydrophobicContact CD2-CE2 3.69Å; L882-F1053 HydrophobicContact CD2-CG 4.05Å; L882-F1053 HydrophobicContact CD2-CZ 3.49Å; L882-F1053 VanDerWaalsContact CD2-CZ 3.49Å; L882-F1053 HydrophobicContact CG-CE2 4.34Å; P1049-F1053 WeakPolarHBondContact O-CB 3.34Å; P1049-F1053 PolarHBondContact O-N 3.4Å; F1053-R1055 PolarHBondContact O-N 2.88Å; F1053-Q1056 PolarHBondContact O-N 3.42Å; F1053-L1057 HydrophobicContact CE1-CD2 3.94Å; F1053-L1057 HydrophobicContact CZ-CD2 4.16Å; F1053-L1057 VanDerWaalsContact O-CB 3.31Å; F1053-L1057 WeakPolarHBondContact O-CB 3.39Å; F1053-L1057 PolarHBondContact O-N 2.61Å |
| 1054 | Q | 89.4 | Confident | 76.2 | Confident | 23 Ų | 23 | 37 Ų | 37 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 178.9 | -168.4 | 67 | 46.2 | 0 | 0 | 112 | A952 K1050 A1051 L1052 Q1056 L1057 D1058 | A952-Q1054 PolarHBondContact O-NE2 3Å; K1050-Q1054 VanDerWaalsContact O-CB 3.27Å; K1050-Q1054 WeakPolarHBondContact O-CB 3.4Å; K1050-Q1054 PolarHBondContact O-N 2.7Å; A1051-Q1054 PolarHBondContact O-N 2.69Å; L1052-Q1054 VanDerWaalsContact C-N 3.29Å; L1052-Q1054 PolarHBondContact O-N 2.71Å; Q1054-Q1056 PolarHBondContact O-N 2.73Å; Q1054-L1057 PolarHBondContact O-N 3.42Å; Q1054-D1058 PolarHBondContact NE2-OD1 2.91Å; Q1054-D1058 WeakPolarHBondContact O-CB 3.38Å; Q1054-D1058 PolarHBondContact O-N 2.88Å |
| 1055 | R | 90.6 | Very high | 78.9 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 5% | 0.045 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.5 | -76.4 | -170.4 | 171.6 | 103.6 | 5.6 | 112.3 | A1051 L1052 F1053 L1057 G1059 A1121 S1124 E1128 T1203 T1205 T1213 | A1051-R1055 WeakPolarHBondContact O-CG 3.5Å; A1051-R1055 PolarHBondContact O-N 3.19Å; L1052-R1055 PolarHBondContact O-N 2.91Å; L1052-R1055 VanDerWaalsContact O-N 3.16Å; F1053-R1055 PolarHBondContact O-N 2.88Å; R1055-L1057 VanDerWaalsContact C-N 3.33Å; R1055-G1059 PolarHBondContact O-N 3.26Å; R1055-A1121 HydrophobicContact CB-CB 4.32Å; R1055-S1124 WeakPolarHBondContact O-CB 3.43Å; R1055-E1128 IonicContact CZ-OE2 2.99Å; R1055-E1128 IonicContact NE-OE2 2.74Å; R1055-E1128 PolarHBondContact NE-OE2 3.26Å; R1055-E1128 IonicContact NH2-OE1 2.77Å; R1055-E1128 IonicContact NH2-OE2 3.76Å; R1055-E1128 PolarHBondContact NH2-OE2 3.44Å; R1055-T1203 PolarHBondContact NH1-O 3.37Å; R1055-T1205 PolarHBondContact NH1-O 3.33Å; R1055-T1205 PolarHBondContact NH2-O 3.45Å; R1055-T1213 PolarHBondContact NH2-OG1 3.19Å |
| 1056 | Q | 91.7 | Very high | 81.3 | Confident | 18 Ų | 18 | 34.7 Ų | 34.7 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 176.5 | -68.9 | 172.2 | -9.2 | 0 | 0 | 111 | L878 L1052 F1053 Q1054 G1059 C1060 P1120 A1121 W1185 | L878-Q1056 HydrophobicContact CD1-CB 4.05Å; L1052-Q1056 HydrophobicContact CD1-CG 4.23Å; L1052-Q1056 HydrophobicContact CG-CG 4.33Å; L1052-Q1056 WeakPolarHBondContact O-CG 3.49Å; L1052-Q1056 PolarHBondContact O-N 2.98Å; F1053-Q1056 PolarHBondContact O-N 3.42Å; Q1054-Q1056 PolarHBondContact O-N 2.73Å; Q1056-G1059 PolarHBondContact O-N 3.39Å; Q1056-C1060 WeakPolarHBondContact O-CB 3.44Å; Q1056-C1060 PolarHBondContact O-N 3.5Å; Q1056-C1060 PolarHBondContact O-SG 3.23Å; Q1056-C1060 VanDerWaalsContact O-SG 3.32Å; Q1056-P1120 HydrophobicContact CB-CB 4.44Å; Q1056-P1120 VanDerWaalsContact O-CB 3.25Å; Q1056-P1120 WeakPolarHBondContact O-CB 3.49Å; Q1056-A1121 HydrophobicContact CG-CB 4Å; Q1056-W1185 HydrophobicContact CB-CH2 3.95Å; Q1056-W1185 HydrophobicContact CB-CZ3 4.25Å; Q1056-W1185 VanDerWaalsContact CD-CZ3 3.43Å; Q1056-W1185 HydrophobicContact CG-CH2 3.88Å; Q1056-W1185 HydrophobicContact CG-CZ3 3.68Å |
| 1057 | L | 92.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -51.4 | 177.6 | -175.2 | 65.3 | 0 | 0 | 0 | 111.6 | A875 T949 A952 F1053 Q1054 R1055 G1059 C1060 L1061 | A875-L1057 HydrophobicContact CB-CD1 3.92Å; T949-L1057 HydrophobicContact CG2-CD1 3.85Å; A952-L1057 HydrophobicContact CB-CD2 3.68Å; F1053-L1057 HydrophobicContact CE1-CD2 3.94Å; F1053-L1057 HydrophobicContact CZ-CD2 4.16Å; F1053-L1057 VanDerWaalsContact O-CB 3.31Å; F1053-L1057 WeakPolarHBondContact O-CB 3.39Å; F1053-L1057 PolarHBondContact O-N 2.61Å; Q1054-L1057 PolarHBondContact O-N 3.42Å; R1055-L1057 VanDerWaalsContact C-N 3.33Å; L1057-G1059 VanDerWaalsContact C-N 3.28Å; L1057-G1059 PolarHBondContact O-N 3.32Å; L1057-C1060 PolarHBondContact O-N 2.9Å; L1057-L1061 HydrophobicContact CD1-CD1 4.01Å; L1057-L1061 HydrophobicContact CD1-CG 4.26Å; L1057-L1061 HydrophobicContact CG-CD1 3.95Å; L1057-L1061 HydrophobicContact CG-CG 4.48Å; L1057-L1061 WeakPolarHBondContact O-CB 3.43Å; L1057-L1061 VanDerWaalsContact O-CG 3.31Å; L1057-L1061 WeakPolarHBondContact O-CG 3.37Å; L1057-L1061 PolarHBondContact O-N 3.42Å |
| 1058 | D | 92.3 | Very high | 85.9 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.032 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.5 | -40.8 | 178.8 | -69.3 | -8.7 | 0 | 0 | 0 | 111.2 | Q1054 G1062 V1063 | Q1054-D1058 PolarHBondContact NE2-OD1 2.91Å; Q1054-D1058 WeakPolarHBondContact O-CB 3.38Å; Q1054-D1058 PolarHBondContact O-N 2.88Å; D1058-G1062 WeakPolarHBondContact O-CA 3.29Å; D1058-G1062 PolarHBondContact O-N 2.92Å; D1058-V1063 HydrophobicContact CB-CB 4.4Å; D1058-V1063 PolarHBondContact O-N 2.98Å |
| 1059 | G | 92.6 | Very high | 88.1 | Confident | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -46.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1055 Q1056 L1057 G1062 P1120 R1123 | R1055-G1059 PolarHBondContact O-N 3.26Å; Q1056-G1059 PolarHBondContact O-N 3.39Å; L1057-G1059 VanDerWaalsContact C-N 3.28Å; L1057-G1059 PolarHBondContact O-N 3.32Å; G1059-G1062 PolarHBondContact O-N 3.01Å; G1059-P1120 VanDerWaalsContact CA-O 3.31Å; G1059-P1120 WeakPolarHBondContact CA-O 3.35Å; G1059-R1123 WeakPolarHBondContact O-CD 3.21Å |
| 1060 | C | 93.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 176.5 | -75.6 | 0 | 0 | 0 | 0 | 111.8 | W871 A875 Q1056 L1057 G1062 P1120 | W871-C1060 HydrophobicContact CB-CB 4.46Å; W871-C1060 VanDerWaalsContact CB-O 3.28Å; W871-C1060 WeakPolarHBondContact CB-O 3.46Å; W871-C1060 WeakPolarHBondContact O-CB 3.49Å; A875-C1060 HydrophobicContact CB-CB 3.71Å; Q1056-C1060 WeakPolarHBondContact O-CB 3.44Å; Q1056-C1060 PolarHBondContact O-N 3.5Å; Q1056-C1060 PolarHBondContact O-SG 3.23Å; Q1056-C1060 VanDerWaalsContact O-SG 3.32Å; L1057-C1060 PolarHBondContact O-N 2.9Å; C1060-G1062 VanDerWaalsContact C-N 3.27Å; C1060-G1062 PolarHBondContact O-N 3.41Å; C1060-P1120 VanDerWaalsContact SG-CB 3.59Å; C1060-P1120 WeakPolarHBondContact SG-CG 3.29Å |
| 1061 | L | 94 | Very high | 90.6 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.6 | -16.8 | 179.3 | -68.5 | 179.8 | 0 | 0 | 0 | 113.2 | I864 L872 A875 T949 L950 L1057 V1063 | I864-L1061 HydrophobicContact CD1-CB 4.28Å; I864-L1061 WeakPolarHBondContact CG2-O 3.32Å; L872-L1061 HydrophobicContact CD1-CD2 3.42Å; L872-L1061 VanDerWaalsContact CD1-CD2 3.42Å; A875-L1061 HydrophobicContact CB-CD2 3.85Å; A875-L1061 HydrophobicContact CB-CG 4.14Å; T949-L1061 HydrophobicContact CG2-CD2 4.31Å; L950-L1061 HydrophobicContact CD2-CD2 4.21Å; L1057-L1061 HydrophobicContact CD1-CD1 4.01Å; L1057-L1061 HydrophobicContact CD1-CG 4.26Å; L1057-L1061 HydrophobicContact CG-CD1 3.95Å; L1057-L1061 HydrophobicContact CG-CG 4.48Å; L1057-L1061 WeakPolarHBondContact O-CB 3.43Å; L1057-L1061 VanDerWaalsContact O-CG 3.31Å; L1057-L1061 WeakPolarHBondContact O-CG 3.37Å; L1057-L1061 PolarHBondContact O-N 3.42Å; L1061-V1063 VanDerWaalsContact C-N 3.31Å; L1061-V1063 HydrophobicContact CB-CG2 3.72Å; L1061-V1063 HydrophobicContact CD1-CG2 4.29Å |
| 1062 | G | 92 | Very high | 91.1 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 35.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1058 G1059 C1060 V1064 | D1058-G1062 WeakPolarHBondContact O-CA 3.29Å; D1058-G1062 PolarHBondContact O-N 2.92Å; G1059-G1062 PolarHBondContact O-N 3.01Å; C1060-G1062 VanDerWaalsContact C-N 3.27Å; C1060-G1062 PolarHBondContact O-N 3.41Å; G1062-V1064 PolarHBondContact O-N 3.26Å |
| 1063 | V | 91.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 7% | 0.073 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -72.7 | 125.3 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | I864 K957 D1058 L1061 | I864-V1063 HydrophobicContact CD1-CG2 4Å; I864-V1063 HydrophobicContact CG1-CG2 3.72Å; K957-V1063 HydrophobicContact CG-CG1 4.48Å; D1058-V1063 HydrophobicContact CB-CB 4.4Å; D1058-V1063 PolarHBondContact O-N 2.98Å; L1061-V1063 VanDerWaalsContact C-N 3.31Å; L1061-V1063 HydrophobicContact CB-CG2 3.72Å; L1061-V1063 HydrophobicContact CD1-CG2 4.29Å |
| 1064 | V | 91.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | trans | -126.2 | 153.8 | 171.1 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | G863 G1062 F1068 Y1069 V1127 | G863-V1064 WeakPolarHBondContact CA-O 3.17Å; G863-V1064 VanDerWaalsContact O-CG2 3.28Å; G863-V1064 WeakPolarHBondContact O-CG2 3.46Å; G863-V1064 PolarHBondContact O-N 2.78Å; G1062-V1064 PolarHBondContact O-N 3.26Å; V1064-F1068 HydrophobicContact CB-CB 3.72Å; V1064-F1068 HydrophobicContact CB-CD1 3.73Å; V1064-F1068 HydrophobicContact CB-CD2 4.27Å; V1064-F1068 HydrophobicContact CB-CE1 4.42Å; V1064-F1068 HydrophobicContact CB-CG 3.64Å; V1064-F1068 HydrophobicContact CG1-CD1 3.77Å; V1064-F1068 HydrophobicContact CG1-CD2 4.43Å; V1064-F1068 HydrophobicContact CG1-CE1 3.96Å; V1064-F1068 HydrophobicContact CG1-CG 4.02Å; V1064-F1068 HydrophobicContact CG1-CZ 4.37Å; V1064-F1068 HydrophobicContact CG2-CB 3.87Å; V1064-F1068 HydrophobicContact CG2-CD1 3.81Å; V1064-F1068 HydrophobicContact CG2-CG 4.03Å; V1064-Y1069 HydrophobicContact CG2-CE2 3.77Å; V1064-V1127 HydrophobicContact CB-CG1 4.42Å; V1064-V1127 HydrophobicContact CG1-CG1 4.11Å; V1064-V1127 HydrophobicContact CG1-CG2 3.93Å | ||
| 1065 | P | 89.3 | Confident | 91.9 | Very high | 19 Ų | 19 | 20 Ų | 20 | 12% | 0.123 | 11% | 0.113 | C | C | . | . | trans | -56.3 | 155 | 171.1 | -28.4 | 38.1 | 0 | 0 | 0 | 113.1 | Y960 T1067 F1068 M1131 | Y960-P1065 HydrophobicContact CD2-CG 4.5Å; Y960-P1065 HydrophobicContact CG-CG 4.09Å; P1065-T1067 PolarHBondContact O-N 2.95Å; P1065-F1068 HydrophobicContact CB-CB 4.48Å; P1065-F1068 WeakPolarHBondContact O-CB 3.48Å; P1065-F1068 PolarHBondContact O-N 3.31Å; P1065-M1131 HydrophobicContact CB-CE 3.96Å; P1065-M1131 HydrophobicContact CB-SD 4.06Å; P1065-M1131 HydrophobicContact CG-CE 4.04Å; P1065-M1131 HydrophobicContact CG-CG 3.92Å; P1065-M1131 HydrophobicContact CG-SD 3.79Å | ||
| 1066 | S | 85.1 | Confident | 92.1 | Very high | 113 Ų | 113 | 19.5 Ų | 19.5 | 79% | 0.79 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.9 | -176.7 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1067 | T | 89.1 | Confident | 92.1 | Very high | 54 Ų | 54 | 23.3 Ų | 23.3 | 33% | 0.331 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -6 | 176.8 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | P1065 Y1069 Q1070 D1071 | P1065-T1067 PolarHBondContact O-N 2.95Å; T1067-Y1069 PolarHBondContact O-N 3.29Å; T1067-Y1069 VanDerWaalsContact O-N 3.11Å; T1067-Q1070 CarbonylContact O-C 3.33Å; T1067-Q1070 WeakPolarHBondContact O-CA 3.37Å; T1067-Q1070 VanDerWaalsContact O-CB 3.31Å; T1067-Q1070 WeakPolarHBondContact O-CB 3.42Å; T1067-Q1070 PolarHBondContact O-N 3.45Å; T1067-D1071 WeakPolarHBondContact CB-OD2 3.31Å; T1067-D1071 PolarHBondContact O-N 3.3Å; T1067-D1071 PolarHBondContact OG1-OD2 3.13Å |
| 1068 | F | 92.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -47.8 | -50.2 | -168.5 | 175.3 | -105.1 | 0 | 0 | 0 | 114.2 | V1064 P1065 Q1070 D1071 V1072 V1110 L1114 V1127 M1130 M1131 | V1064-F1068 HydrophobicContact CB-CB 3.72Å; V1064-F1068 HydrophobicContact CB-CD1 3.73Å; V1064-F1068 HydrophobicContact CB-CD2 4.27Å; V1064-F1068 HydrophobicContact CB-CE1 4.42Å; V1064-F1068 HydrophobicContact CB-CG 3.64Å; V1064-F1068 HydrophobicContact CG1-CD1 3.77Å; V1064-F1068 HydrophobicContact CG1-CD2 4.43Å; V1064-F1068 HydrophobicContact CG1-CE1 3.96Å; V1064-F1068 HydrophobicContact CG1-CG 4.02Å; V1064-F1068 HydrophobicContact CG1-CZ 4.37Å; V1064-F1068 HydrophobicContact CG2-CB 3.87Å; V1064-F1068 HydrophobicContact CG2-CD1 3.81Å; V1064-F1068 HydrophobicContact CG2-CG 4.03Å; P1065-F1068 HydrophobicContact CB-CB 4.48Å; P1065-F1068 WeakPolarHBondContact O-CB 3.48Å; P1065-F1068 PolarHBondContact O-N 3.31Å; F1068-Q1070 PolarHBondContact O-N 3.33Å; F1068-D1071 WeakPolarHBondContact O-CB 3.11Å; F1068-D1071 PolarHBondContact O-N 2.88Å; F1068-V1072 HydrophobicContact CD1-CG2 4.45Å; F1068-V1072 HydrophobicContact CD2-CG2 4.36Å; F1068-V1072 HydrophobicContact CE1-CG2 4.07Å; F1068-V1072 HydrophobicContact CE2-CG2 3.96Å; F1068-V1072 HydrophobicContact CZ-CG2 3.8Å; F1068-V1072 WeakPolarHBondContact O-CG2 3.48Å; F1068-V1072 PolarHBondContact O-N 3.36Å; F1068-V1110 HydrophobicContact CE1-CG1 3.9Å; F1068-V1110 HydrophobicContact CZ-CG1 4.41Å; F1068-L1114 HydrophobicContact CE1-CD1 4.06Å; F1068-L1114 HydrophobicContact CZ-CD1 4.03Å; F1068-V1127 HydrophobicContact CD2-CG1 3.95Å; F1068-V1127 HydrophobicContact CE2-CB 4.27Å; F1068-V1127 HydrophobicContact CE2-CG1 3.86Å; F1068-V1127 HydrophobicContact CE2-CG2 4.16Å; F1068-V1127 HydrophobicContact CZ-CG2 4.24Å; F1068-M1130 HydrophobicContact CE2-CB 3.8Å; F1068-M1130 HydrophobicContact CE2-CG 4.03Å; F1068-M1130 HydrophobicContact CZ-CG 4.42Å; F1068-M1131 HydrophobicContact CB-SD 4.39Å; F1068-M1131 HydrophobicContact CD2-SD 3.91Å |
| 1069 | Y | 91.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 6% | 0.059 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | 179.9 | -56.9 | -76.2 | 0 | 0 | 0 | 112.2 | K865 V1064 T1067 D1071 V1072 Y1073 F1106 V1107 V1110 E1111 | K865-Y1069 HydrophobicContact CB-CE2 4.28Å; K865-Y1069 WeakPolarHBondContact CB-OH 3.23Å; K865-Y1069 HydrophobicContact CG-CD2 4.43Å; K865-Y1069 HydrophobicContact CG-CE2 3.42Å; K865-Y1069 VanDerWaalsContact CG-CE2 3.42Å; K865-Y1069 WeakPolarHBondContact CG-OH 3.38Å; V1064-Y1069 HydrophobicContact CG2-CE2 3.77Å; T1067-Y1069 PolarHBondContact O-N 3.29Å; T1067-Y1069 VanDerWaalsContact O-N 3.11Å; Y1069-D1071 VanDerWaalsContact C-N 3.28Å; Y1069-D1071 PolarHBondContact O-N 2.98Å; Y1069-V1072 PolarHBondContact O-N 3.36Å; Y1069-Y1073 WeakPolarHBondContact O-CB 3.35Å; Y1069-Y1073 PolarHBondContact O-N 3.46Å; Y1069-F1106 VanDerWaalsContact O-CE1 3.24Å; Y1069-F1106 WeakPolarHBondContact O-CE1 3.43Å; Y1069-V1107 HydrophobicContact CD1-CB 4.25Å; Y1069-V1107 HydrophobicContact CD1-CG1 4.09Å; Y1069-V1107 HydrophobicContact CD1-CG2 4.04Å; Y1069-V1107 HydrophobicContact CD2-CG1 4.5Å; Y1069-V1107 HydrophobicContact CD2-CG2 4.16Å; Y1069-V1107 HydrophobicContact CE1-CB 4.29Å; Y1069-V1107 HydrophobicContact CE1-CG1 3.67Å; Y1069-V1107 HydrophobicContact CE1-CG2 4.45Å; Y1069-V1107 HydrophobicContact CE2-CG1 4.11Å; Y1069-V1107 HydrophobicContact CG-CG1 4.49Å; Y1069-V1107 HydrophobicContact CG-CG2 3.89Å; Y1069-V1110 HydrophobicContact CD1-CB 4.17Å; Y1069-V1110 HydrophobicContact CD1-CG1 4.14Å; Y1069-V1110 HydrophobicContact CE1-CB 4.29Å; Y1069-V1110 HydrophobicContact CE1-CG1 4.15Å; Y1069-E1111 HydrophobicContact CE1-CG 4.16Å; Y1069-E1111 PolarHBondContact OH-OE1 3.39Å |
| 1070 | Q | 91.1 | Very high | 91.7 | Very high | 79 Ų | 79 | 28.4 Ų | 28.4 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 174 | -61.1 | 167.4 | 18.7 | 0 | 0 | 110.5 | T1067 F1068 Y1073 F1074 P1101 Y1102 | T1067-Q1070 CarbonylContact O-C 3.33Å; T1067-Q1070 WeakPolarHBondContact O-CA 3.37Å; T1067-Q1070 VanDerWaalsContact O-CB 3.31Å; T1067-Q1070 WeakPolarHBondContact O-CB 3.42Å; T1067-Q1070 PolarHBondContact O-N 3.45Å; F1068-Q1070 PolarHBondContact O-N 3.33Å; Q1070-Y1073 WeakPolarHBondContact O-CB 3.5Å; Q1070-Y1073 PolarHBondContact O-N 3.22Å; Q1070-F1074 WeakPolarHBondContact O-CB 3.29Å; Q1070-F1074 PolarHBondContact O-N 3.46Å; Q1070-P1101 HydrophobicContact CG-CB 4.25Å; Q1070-Y1102 HydrophobicContact CG-CE1 4.34Å |
| 1071 | D | 93.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | 177.1 | -67.7 | -32.3 | 0 | 0 | 0 | 111.2 | T1067 F1068 Y1069 Y1073 F1074 I1075 M1131 A1134 Q1138 | T1067-D1071 WeakPolarHBondContact CB-OD2 3.31Å; T1067-D1071 PolarHBondContact O-N 3.3Å; T1067-D1071 PolarHBondContact OG1-OD2 3.13Å; F1068-D1071 WeakPolarHBondContact O-CB 3.11Å; F1068-D1071 PolarHBondContact O-N 2.88Å; Y1069-D1071 VanDerWaalsContact C-N 3.28Å; Y1069-D1071 PolarHBondContact O-N 2.98Å; D1071-Y1073 VanDerWaalsContact C-N 3.33Å; D1071-Y1073 PolarHBondContact O-N 3.04Å; D1071-F1074 PolarHBondContact O-N 2.93Å; D1071-I1075 VanDerWaalsContact O-CG1 3.23Å; D1071-I1075 WeakPolarHBondContact O-CG1 3.24Å; D1071-I1075 PolarHBondContact O-N 3.37Å; D1071-M1131 WeakPolarHBondContact OD2-CE 3.35Å; D1071-A1134 HydrophobicContact CB-CB 3.61Å; D1071-Q1138 PolarHBondContact OD1-NE2 2.91Å |
| 1072 | V | 94.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 172.7 | 174 | 0 | 0 | 0 | 0 | 111.2 | F1068 Y1069 F1074 I1075 L1076 I1083 L1090 F1106 V1110 M1130 | F1068-V1072 HydrophobicContact CD1-CG2 4.45Å; F1068-V1072 HydrophobicContact CD2-CG2 4.36Å; F1068-V1072 HydrophobicContact CE1-CG2 4.07Å; F1068-V1072 HydrophobicContact CE2-CG2 3.96Å; F1068-V1072 HydrophobicContact CZ-CG2 3.8Å; F1068-V1072 WeakPolarHBondContact O-CG2 3.48Å; F1068-V1072 PolarHBondContact O-N 3.36Å; Y1069-V1072 PolarHBondContact O-N 3.36Å; V1072-F1074 VanDerWaalsContact C-N 3.33Å; V1072-F1074 PolarHBondContact O-N 3.06Å; V1072-I1075 PolarHBondContact O-N 3.3Å; V1072-L1076 WeakPolarHBondContact O-CB 3.46Å; V1072-L1076 PolarHBondContact O-N 2.66Å; V1072-I1083 HydrophobicContact CG1-CD1 4.25Å; V1072-L1090 HydrophobicContact CG1-CD2 3.91Å; V1072-F1106 HydrophobicContact CB-CZ 4.48Å; V1072-F1106 HydrophobicContact CG1-CZ 4.17Å; V1072-V1110 HydrophobicContact CG1-CG1 4.25Å; V1072-V1110 HydrophobicContact CG1-CG2 3.77Å; V1072-V1110 HydrophobicContact CG2-CG1 4.37Å; V1072-M1130 HydrophobicContact CG2-CG 4.47Å; V1072-M1130 HydrophobicContact CG2-SD 4.43Å |
| 1073 | Y | 93.2 | Very high | 91.7 | Very high | 18 Ų | 18 | 32.9 Ų | 32.9 | 7% | 0.071 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.6 | -167.9 | -82 | 0 | 0 | 0 | 111.1 | Y1069 Q1070 D1071 L1076 E1077 L1096 M1099 P1101 F1106 | Y1069-Y1073 WeakPolarHBondContact O-CB 3.35Å; Y1069-Y1073 PolarHBondContact O-N 3.46Å; Q1070-Y1073 WeakPolarHBondContact O-CB 3.5Å; Q1070-Y1073 PolarHBondContact O-N 3.22Å; D1071-Y1073 VanDerWaalsContact C-N 3.33Å; D1071-Y1073 PolarHBondContact O-N 3.04Å; Y1073-L1076 WeakPolarHBondContact O-CB 3.22Å; Y1073-L1076 PolarHBondContact O-N 2.92Å; Y1073-E1077 HydrophobicContact CD1-CG 4.29Å; Y1073-E1077 HydrophobicContact CE1-CG 4.2Å; Y1073-E1077 WeakPolarHBondContact CE1-OE1 3.16Å; Y1073-E1077 PolarHBondContact O-N 2.83Å; Y1073-L1096 HydrophobicContact CD1-CD2 3.83Å; Y1073-L1096 HydrophobicContact CD2-CD2 3.86Å; Y1073-L1096 HydrophobicContact CE1-CD2 3.47Å; Y1073-L1096 VanDerWaalsContact CE1-CD2 3.47Å; Y1073-L1096 HydrophobicContact CE2-CD2 3.52Å; Y1073-L1096 HydrophobicContact CG-CD2 4Å; Y1073-L1096 PolarHBondContact OH-O 3.24Å; Y1073-M1099 PolarHBondContact OH-O 3.34Å; Y1073-P1101 HydrophobicContact CD1-CB 4.23Å; Y1073-P1101 HydrophobicContact CD1-CG 4.27Å; Y1073-P1101 HydrophobicContact CD2-CB 3.95Å; Y1073-P1101 HydrophobicContact CD2-CG 4.48Å; Y1073-P1101 HydrophobicContact CG-CB 3.75Å; Y1073-P1101 HydrophobicContact CG-CG 4.26Å; Y1073-F1106 HydrophobicContact CD2-CD1 4.31Å; Y1073-F1106 HydrophobicContact CD2-CD2 4.22Å; Y1073-F1106 HydrophobicContact CD2-CE1 4.03Å; Y1073-F1106 AromaticContact CD2-CE2 3.93Å; Y1073-F1106 HydrophobicContact CD2-CE2 3.93Å; Y1073-F1106 HydrophobicContact CD2-CG 4.4Å; Y1073-F1106 AromaticContact CD2-CZ 3.83Å; Y1073-F1106 HydrophobicContact CD2-CZ 3.83Å; Y1073-F1106 HydrophobicContact CG-CE1 4.46Å; Y1073-F1106 HydrophobicContact CG-CZ 4.25Å |
| 1074 | F | 92.7 | Very high | 91.9 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 18% | 0.18 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.3 | 177.1 | -102.8 | 0 | 0 | 0 | 112.7 | Q1070 D1071 V1072 L1076 E1077 R1078 L1137 Q1138 | Q1070-F1074 WeakPolarHBondContact O-CB 3.29Å; Q1070-F1074 PolarHBondContact O-N 3.46Å; D1071-F1074 PolarHBondContact O-N 2.93Å; V1072-F1074 VanDerWaalsContact C-N 3.33Å; V1072-F1074 PolarHBondContact O-N 3.06Å; F1074-L1076 VanDerWaalsContact C-N 3.25Å; F1074-L1076 PolarHBondContact O-N 3.3Å; F1074-E1077 WeakPolarHBondContact O-CB 3.32Å; F1074-E1077 PolarHBondContact O-N 2.94Å; F1074-R1078 PolarHBondContact O-N 3.38Å; F1074-L1137 HydrophobicContact CD1-CB 4.38Å; F1074-L1137 HydrophobicContact CE1-CB 3.56Å; F1074-L1137 HydrophobicContact CZ-CB 4.34Å; F1074-Q1138 HydrophobicContact CD1-CG 3.81Å; F1074-Q1138 HydrophobicContact CE1-CB 4.23Å; F1074-Q1138 HydrophobicContact CE1-CG 3.44Å; F1074-Q1138 VanDerWaalsContact CE1-CG 3.44Å; F1074-Q1138 HydrophobicContact CZ-CG 3.98Å |
| 1075 | I | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 171.9 | -64.5 | 163 | 0 | 0 | 0 | 109.7 | D1071 V1072 E1077 R1078 S1079 I1083 M1130 I1133 A1134 L1137 | D1071-I1075 VanDerWaalsContact O-CG1 3.23Å; D1071-I1075 WeakPolarHBondContact O-CG1 3.24Å; D1071-I1075 PolarHBondContact O-N 3.37Å; V1072-I1075 PolarHBondContact O-N 3.3Å; I1075-E1077 VanDerWaalsContact C-N 3.31Å; I1075-E1077 PolarHBondContact O-N 2.85Å; I1075-R1078 CarbonylContact O-C 3.19Å; I1075-R1078 WeakPolarHBondContact O-CA 3.41Å; I1075-R1078 PolarHBondContact O-N 3.29Å; I1075-S1079 WeakPolarHBondContact O-CB 3.43Å; I1075-S1079 PolarHBondContact O-N 3.07Å; I1075-S1079 VanDerWaalsContact O-N 3.15Å; I1075-S1079 PolarHBondContact O-OG 3.34Å; I1075-I1083 HydrophobicContact CB-CD1 3.97Å; I1075-I1083 HydrophobicContact CG2-CD1 3.58Å; I1075-I1083 HydrophobicContact CG2-CG1 4.11Å; I1075-M1130 HydrophobicContact CD1-CB 4.45Å; I1075-M1130 WeakPolarHBondContact CD1-O 3.41Å; I1075-M1130 HydrophobicContact CD1-SD 4.15Å; I1075-I1133 HydrophobicContact CD1-CB 4.12Å; I1075-I1133 HydrophobicContact CD1-CG2 4.07Å; I1075-I1133 HydrophobicContact CG1-CG2 3.96Å; I1075-I1133 HydrophobicContact CG2-CG2 4.02Å; I1075-A1134 HydrophobicContact CD1-CB 3.97Å; I1075-A1134 HydrophobicContact CG1-CB 4.07Å; I1075-L1137 HydrophobicContact CB-CD1 4.44Å; I1075-L1137 HydrophobicContact CG1-CD1 4.2Å; I1075-L1137 HydrophobicContact CG2-CD1 4.36Å |
| 1076 | L | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -35 | 179.7 | -166.2 | 65.3 | 0 | 0 | 0 | 111.9 | V1072 Y1073 F1074 R1078 S1079 I1083 L1090 Q1092 I1095 L1096 | V1072-L1076 WeakPolarHBondContact O-CB 3.46Å; V1072-L1076 PolarHBondContact O-N 2.66Å; Y1073-L1076 WeakPolarHBondContact O-CB 3.22Å; Y1073-L1076 PolarHBondContact O-N 2.92Å; F1074-L1076 VanDerWaalsContact C-N 3.25Å; F1074-L1076 PolarHBondContact O-N 3.3Å; L1076-R1078 PolarHBondContact O-N 3.46Å; L1076-S1079 PolarHBondContact O-N 2.8Å; L1076-I1083 HydrophobicContact CB-CD1 4.21Å; L1076-I1083 HydrophobicContact CD1-CD1 4.17Å; L1076-I1083 HydrophobicContact CD1-CG1 4.02Å; L1076-L1090 HydrophobicContact CD1-CD2 4.32Å; L1076-L1090 HydrophobicContact CD1-CG 4.35Å; L1076-L1090 WeakPolarHBondContact CD1-O 3.37Å; L1076-L1090 HydrophobicContact CD2-CD2 4.12Å; L1076-L1090 HydrophobicContact CD2-CG 4.26Å; L1076-Q1092 HydrophobicContact CD1-CB 4.24Å; L1076-Q1092 HydrophobicContact CG-CB 4.36Å; L1076-Q1092 HydrophobicContact CG-CG 4.39Å; L1076-Q1092 WeakPolarHBondContact O-CG 3.34Å; L1076-Q1092 PolarHBondContact O-NE2 3.13Å; L1076-I1095 HydrophobicContact CD2-CB 3.96Å; L1076-I1095 HydrophobicContact CD2-CG2 3.75Å; L1076-L1096 HydrophobicContact CB-CD2 4.22Å; L1076-L1096 HydrophobicContact CD2-CD2 3.93Å; L1076-L1096 HydrophobicContact CD2-CG 4.08Å; L1076-L1096 HydrophobicContact CG-CD1 4.5Å; L1076-L1096 HydrophobicContact CG-CD2 4.18Å; L1076-L1096 HydrophobicContact CG-CG 4.2Å |
| 1077 | E | 91.3 | Very high | 91.6 | Very high | 98 Ų | 98 | 34.8 Ų | 34.8 | 46% | 0.458 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.3 | -30.1 | 170.8 | -72.1 | 178.8 | 155.5 | 0 | 0 | 112.7 | Y1073 F1074 I1075 Q1092 L1096 | Y1073-E1077 HydrophobicContact CD1-CG 4.29Å; Y1073-E1077 HydrophobicContact CE1-CG 4.2Å; Y1073-E1077 WeakPolarHBondContact CE1-OE1 3.16Å; Y1073-E1077 PolarHBondContact O-N 2.83Å; F1074-E1077 WeakPolarHBondContact O-CB 3.32Å; F1074-E1077 PolarHBondContact O-N 2.94Å; I1075-E1077 VanDerWaalsContact C-N 3.31Å; I1075-E1077 PolarHBondContact O-N 2.85Å; E1077-Q1092 PolarHBondContact O-NE2 3.1Å; E1077-L1096 HydrophobicContact CB-CD1 4.32Å; E1077-L1096 HydrophobicContact CG-CD1 3.78Å; E1077-L1096 HydrophobicContact CG-CD2 4.03Å |
| 1078 | R | 89.8 | Confident | 91.7 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 19% | 0.185 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 6.4 | -179.2 | -60.8 | -56.6 | -162.2 | 128.4 | -9.9 | 115.1 | F1074 I1075 L1076 L1137 T1141 L1143 F1145 | F1074-R1078 PolarHBondContact O-N 3.38Å; I1075-R1078 CarbonylContact O-C 3.19Å; I1075-R1078 WeakPolarHBondContact O-CA 3.41Å; I1075-R1078 PolarHBondContact O-N 3.29Å; L1076-R1078 PolarHBondContact O-N 3.46Å; R1078-L1137 HydrophobicContact CB-CD1 3.77Å; R1078-L1137 HydrophobicContact CB-CD2 4.19Å; R1078-L1137 HydrophobicContact CG-CD1 4.07Å; R1078-L1137 HydrophobicContact CG-CD2 4.33Å; R1078-T1141 PolarHBondContact NH1-O 2.89Å; R1078-T1141 VanDerWaalsContact NH2-C 3.26Å; R1078-T1141 PolarHBondContact NH2-O 3.26Å; R1078-L1143 PolarHBondContact NH1-O 2.72Å; R1078-F1145 PolarHBondContact O-N 3.19Å |
| 1079 | S | 91.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -129.4 | 82.6 | -173.2 | -53.4 | 0 | 0 | 0 | 0 | 109.5 | I1075 L1076 H1081 G1082 V1149 | I1075-S1079 WeakPolarHBondContact O-CB 3.43Å; I1075-S1079 PolarHBondContact O-N 3.07Å; I1075-S1079 VanDerWaalsContact O-N 3.15Å; I1075-S1079 PolarHBondContact O-OG 3.34Å; L1076-S1079 PolarHBondContact O-N 2.8Å; S1079-H1081 PolarHBondContact O-N 2.8Å; S1079-H1081 VanDerWaalsContact O-N 3.11Å; S1079-G1082 PolarHBondContact O-N 3.05Å; S1079-V1149 VanDerWaalsContact OG-CG2 3.25Å; S1079-V1149 WeakPolarHBondContact OG-CG2 3.4Å | ||
| 1080 | P | 88.2 | Confident | 91.8 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 44% | 0.442 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.7 | -175.3 | -23.2 | 33.7 | 0 | 0 | 0 | 113.4 | F1145 | P1080-F1145 WeakPolarHBondContact CD-O 3.49Š|
| 1081 | H | 90.9 | Very high | 91.9 | Very high | 104 Ų | 104 | 38.9 Ų | 38.9 | 48% | 0.481 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 0.1 | -179.5 | -59.3 | 101.5 | 0 | 0 | 0 | 113.9 | S1079 D1146 V1148 | S1079-H1081 PolarHBondContact O-N 2.8Å; S1079-H1081 VanDerWaalsContact O-N 3.11Å; H1081-D1146 PolarHBondContact CE1-O 2.81Å; H1081-D1146 PolarHBondContact ND1-O 2.72Å; H1081-V1148 HydrophobicContact CB-CB 4.46Å; H1081-V1148 HydrophobicContact CB-CG2 3.71Å |
| 1082 | G | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | 87.6 | -177.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1079 L1090 V1149 | S1079-G1082 PolarHBondContact O-N 3.05Å; G1082-L1090 CarbonylContact C-O 3.58Å; G1082-L1090 WeakPolarHBondContact CA-O 3.4Å; G1082-V1149 PolarHBondContact O-N 2.76Å | ||
| 1083 | I | 95.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.3 | -176.4 | -53.1 | 172.7 | 0 | 0 | 0 | 108.9 | V1072 I1075 L1076 I1085 L1090 M1130 I1151 | V1072-I1083 HydrophobicContact CG1-CD1 4.25Å; I1075-I1083 HydrophobicContact CB-CD1 3.97Å; I1075-I1083 HydrophobicContact CG2-CD1 3.58Å; I1075-I1083 HydrophobicContact CG2-CG1 4.11Å; L1076-I1083 HydrophobicContact CB-CD1 4.21Å; L1076-I1083 HydrophobicContact CD1-CD1 4.17Å; L1076-I1083 HydrophobicContact CD1-CG1 4.02Å; I1083-I1085 HydrophobicContact CG2-CD1 4.34Å; I1083-I1085 HydrophobicContact CG2-CG1 4.15Å; I1083-L1090 HydrophobicContact CB-CB 4.18Å; I1083-L1090 HydrophobicContact CD1-CD2 4.31Å; I1083-L1090 PolarHBondContact N-O 2.86Å; I1083-L1090 WeakPolarHBondContact O-CB 3.43Å; I1083-L1090 PolarHBondContact O-N 3.33Å; I1083-M1130 HydrophobicContact CG2-SD 4.37Å; I1083-I1151 HydrophobicContact CG2-CD1 3.97Å; I1083-I1151 HydrophobicContact CG2-CG1 3.93Å |
| 1084 | L | 94.7 | Very high | 90.7 | Very high | 43 Ų | 43 | 48 Ų | 48 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.1 | -179.1 | -176.3 | 73.8 | 0 | 0 | 0 | 110.7 | L1089 V1148 V1149 D1150 I1151 | L1084-L1089 HydrophobicContact CB-CD1 4.34Å; L1084-L1089 HydrophobicContact CD1-CB 4.17Å; L1084-V1148 HydrophobicContact CB-CG1 3.53Å; L1084-V1149 PolarHBondContact N-O 3.41Å; L1084-D1150 HydrophobicContact CD2-CB 4.34Å; L1084-I1151 WeakPolarHBondContact O-CG1 3.37Å; L1084-I1151 PolarHBondContact O-N 3.25Å; L1084-I1151 VanDerWaalsContact O-N 3.11Å |
| 1085 | I | 92.6 | Very high | 90.3 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122 | 177.9 | -60.4 | 175.5 | 0 | 0 | 0 | 108.4 | I1083 G1087 K1088 L1113 L1114 I1117 V1126 I1151 | I1083-I1085 HydrophobicContact CG2-CD1 4.34Å; I1083-I1085 HydrophobicContact CG2-CG1 4.15Å; I1085-G1087 VanDerWaalsContact C-N 3.27Å; I1085-G1087 PolarHBondContact O-N 2.89Å; I1085-K1088 PolarHBondContact N-O 3.21Å; I1085-K1088 PolarHBondContact O-N 2.82Å; I1085-K1088 VanDerWaalsContact O-O 3.13Å; I1085-L1113 HydrophobicContact CB-CB 4.13Å; I1085-L1113 HydrophobicContact CD1-CB 4.35Å; I1085-L1113 HydrophobicContact CD1-CD1 4.44Å; I1085-L1113 HydrophobicContact CG2-CB 4.37Å; I1085-L1114 HydrophobicContact CD1-CD2 4.29Å; I1085-L1114 HydrophobicContact CG2-CD2 4.24Å; I1085-I1117 HydrophobicContact CG2-CD1 4.23Å; I1085-V1126 HydrophobicContact CG2-CG1 4.26Å; I1085-I1151 HydrophobicContact CG1-CB 4.34Å; I1085-I1151 HydrophobicContact CG1-CG1 3.76Å |
| 1086 | Y | 84 | Confident | 89.9 | Confident | 66 Ų | 66 | 47.4 Ų | 47.4 | 26% | 0.259 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 44.7 | 174.7 | -145.6 | -96.8 | 0 | 0 | 0 | 113.9 | K1088 P1116 I1117 Y1122 D1189 | Y1086-K1088 PolarHBondContact O-N 2.82Å; Y1086-P1116 HydrophobicContact CD1-CB 3.86Å; Y1086-P1116 HydrophobicContact CE1-CB 4.33Å; Y1086-I1117 HydrophobicContact CD2-CG1 3.85Å; Y1086-I1117 HydrophobicContact CE2-CG1 4.44Å; Y1086-I1117 HydrophobicContact CG-CG1 4.07Å; Y1086-Y1122 HydrophobicContact CD2-CE1 4.39Å; Y1086-D1189 VanDerWaalsContact OH-CG 3.29Å; Y1086-D1189 PolarHBondContact OH-OD2 3.29Å |
| 1087 | G | 84.2 | Confident | 89.2 | Confident | 71 Ų | 71 | 48.5 Ų | 48.5 | 73% | 0.732 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 0.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1085 | I1085-G1087 VanDerWaalsContact C-N 3.27Å; I1085-G1087 PolarHBondContact O-N 2.89Å |
| 1088 | K | 90.7 | Very high | 88.5 | Confident | 103 Ų | 103 | 44.1 Ų | 44.1 | 45% | 0.448 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.3 | 175.2 | -63.7 | -174.5 | -178.3 | -178.1 | 0 | 110.9 | I1085 Y1086 L1113 P1116 | I1085-K1088 PolarHBondContact N-O 3.21Å; I1085-K1088 PolarHBondContact O-N 2.82Å; I1085-K1088 VanDerWaalsContact O-O 3.13Å; Y1086-K1088 PolarHBondContact O-N 2.82Å; K1088-L1113 HydrophobicContact CB-CD2 3.29Å; K1088-L1113 HydrophobicContact CD-CD2 4.33Å; K1088-L1113 HydrophobicContact CG-CD2 4.47Å; K1088-P1116 HydrophobicContact CD-CG 4.36Å |
| 1089 | L | 93.3 | Very high | 88.1 | Confident | 85 Ų | 85 | 43 Ų | 43 | 45% | 0.445 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.6 | -178.1 | -177.4 | 67 | 0 | 0 | 0 | 110.4 | L1084 P1091 V1148 | L1084-L1089 HydrophobicContact CB-CD1 4.34Å; L1084-L1089 HydrophobicContact CD1-CB 4.17Å; L1089-P1091 WeakPolarHBondContact O-CD 3.33Å; L1089-V1148 HydrophobicContact CD1-CG1 3.75Å |
| 1090 | L | 94 | Very high | 87.5 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 97.8 | 160.6 | -161.8 | 67.4 | 0 | 0 | 0 | 108 | V1072 L1076 G1082 I1083 I1095 E1109 V1110 L1113 | V1072-L1090 HydrophobicContact CG1-CD2 3.91Å; L1076-L1090 HydrophobicContact CD1-CD2 4.32Å; L1076-L1090 HydrophobicContact CD1-CG 4.35Å; L1076-L1090 WeakPolarHBondContact CD1-O 3.37Å; L1076-L1090 HydrophobicContact CD2-CD2 4.12Å; L1076-L1090 HydrophobicContact CD2-CG 4.26Å; G1082-L1090 CarbonylContact C-O 3.58Å; G1082-L1090 WeakPolarHBondContact CA-O 3.4Å; I1083-L1090 HydrophobicContact CB-CB 4.18Å; I1083-L1090 HydrophobicContact CD1-CD2 4.31Å; I1083-L1090 PolarHBondContact N-O 2.86Å; I1083-L1090 WeakPolarHBondContact O-CB 3.43Å; I1083-L1090 PolarHBondContact O-N 3.33Å; L1090-I1095 HydrophobicContact CD1-CD1 3.19Å; L1090-I1095 HydrophobicContact CG-CD1 3.65Å; L1090-E1109 HydrophobicContact CD1-CB 4.22Å; L1090-V1110 HydrophobicContact CD2-CG2 4.23Å; L1090-L1113 HydrophobicContact CB-CD1 3.5Å; L1090-L1113 HydrophobicContact CD1-CD1 3.6Å; L1090-L1113 HydrophobicContact CD2-CD1 4.22Å; L1090-L1113 HydrophobicContact CG-CD1 3.94Å |
| 1091 | P | 91.7 | Very high | 86.9 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | trans | -74.6 | 144.1 | -178.3 | 33.6 | -37.9 | 0 | 0 | 0 | 110.5 | L1089 K1093 I1095 | L1089-P1091 WeakPolarHBondContact O-CD 3.33Å; P1091-K1093 VanDerWaalsContact C-N 3.3Å; P1091-K1093 WeakPolarHBondContact CB-O 3.38Å; P1091-K1093 PolarHBondContact O-N 3.46Å; P1091-I1095 HydrophobicContact CG-CD1 4.39Å; P1091-I1095 WeakPolarHBondContact O-CD1 3.46Å; P1091-I1095 WeakPolarHBondContact O-CG1 3.35Å | ||
| 1092 | Q | 90.9 | Very high | 86.2 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.2 | -174.5 | -175.2 | 71.1 | 0 | 0 | 111.9 | L1076 E1077 I1095 L1096 | L1076-Q1092 HydrophobicContact CD1-CB 4.24Å; L1076-Q1092 HydrophobicContact CG-CB 4.36Å; L1076-Q1092 HydrophobicContact CG-CG 4.39Å; L1076-Q1092 WeakPolarHBondContact O-CG 3.34Å; L1076-Q1092 PolarHBondContact O-NE2 3.13Å; E1077-Q1092 PolarHBondContact O-NE2 3.1Å; Q1092-I1095 PolarHBondContact O-N 2.99Å; Q1092-L1096 HydrophobicContact CG-CD1 3.4Å; Q1092-L1096 HydrophobicContact CG-CG 4.04Å; Q1092-L1096 WeakPolarHBondContact O-CG 3.25Å; Q1092-L1096 PolarHBondContact O-N 3.25Å |
| 1093 | K | 83.7 | Confident | 85.2 | Confident | 149 Ų | 149 | 45.3 Ų | 45.3 | 65% | 0.648 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -112.7 | 131.2 | 173.4 | -62.4 | -179.9 | -176.2 | 173.7 | 0 | 107.9 | P1091 T1097 | P1091-K1093 VanDerWaalsContact C-N 3.3Å; P1091-K1093 WeakPolarHBondContact CB-O 3.38Å; P1091-K1093 PolarHBondContact O-N 3.46Å; K1093-T1097 HydrophobicContact CG-CG2 4.31Å |
| 1094 | P | 82.4 | Confident | 84.3 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | cis | -94.7 | 7.3 | 18 | 37.3 | -38.1 | 0 | 0 | 0 | 115.1 | P319 T1097 D1098 | P319-P1094 VanDerWaalsContact C-CB 3.48Å; P319-P1094 HydrophobicContact CB-CB 3.36Å; P319-P1094 HydrophobicContact CB-CG 3.38Å; P1094-T1097 WeakPolarHBondContact CA-OG1 3.35Å; P1094-T1097 CarbonylContact O-C 3.58Å; P1094-T1097 PolarHBondContact O-N 3.42Å; P1094-T1097 VanDerWaalsContact O-N 3.16Å; P1094-T1097 PolarHBondContact O-OG1 2.99Å; P1094-D1098 WeakPolarHBondContact O-CB 3.33Å; P1094-D1098 PolarHBondContact O-N 3.45Å |
| 1095 | I | 85.5 | Confident | 83.6 | Confident | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.046 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -54.4 | -167.8 | -63.9 | -175.9 | 0 | 0 | 0 | 112.7 | L1076 L1090 P1091 Q1092 T1097 D1098 M1099 F1106 | L1076-I1095 HydrophobicContact CD2-CB 3.96Å; L1076-I1095 HydrophobicContact CD2-CG2 3.75Å; L1090-I1095 HydrophobicContact CD1-CD1 3.19Å; L1090-I1095 HydrophobicContact CG-CD1 3.65Å; P1091-I1095 HydrophobicContact CG-CD1 4.39Å; P1091-I1095 WeakPolarHBondContact O-CD1 3.46Å; P1091-I1095 WeakPolarHBondContact O-CG1 3.35Å; Q1092-I1095 PolarHBondContact O-N 2.99Å; I1095-T1097 PolarHBondContact O-N 3.17Å; I1095-T1097 VanDerWaalsContact O-N 3.16Å; I1095-D1098 PolarHBondContact O-N 3Å; I1095-M1099 WeakPolarHBondContact O-CB 3.49Å; I1095-M1099 PolarHBondContact O-N 2.98Å; I1095-F1106 HydrophobicContact CG2-CD2 3.52Å; I1095-F1106 HydrophobicContact CG2-CE2 3.71Å |
| 1096 | L | 84.1 | Confident | 83.3 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -24.5 | 178.3 | -62.7 | -174.8 | 0 | 0 | 0 | 112.3 | M323 Y1073 L1076 E1077 Q1092 | M323-L1096 WeakPolarHBondContact CE-O 3.4Å; Y1073-L1096 HydrophobicContact CD1-CD2 3.83Å; Y1073-L1096 HydrophobicContact CD2-CD2 3.86Å; Y1073-L1096 HydrophobicContact CE1-CD2 3.47Å; Y1073-L1096 VanDerWaalsContact CE1-CD2 3.47Å; Y1073-L1096 HydrophobicContact CE2-CD2 3.52Å; Y1073-L1096 HydrophobicContact CG-CD2 4Å; Y1073-L1096 PolarHBondContact OH-O 3.24Å; L1076-L1096 HydrophobicContact CB-CD2 4.22Å; L1076-L1096 HydrophobicContact CD2-CD2 3.93Å; L1076-L1096 HydrophobicContact CD2-CG 4.08Å; L1076-L1096 HydrophobicContact CG-CD1 4.5Å; L1076-L1096 HydrophobicContact CG-CD2 4.18Å; L1076-L1096 HydrophobicContact CG-CG 4.2Å; E1077-L1096 HydrophobicContact CB-CD1 4.32Å; E1077-L1096 HydrophobicContact CG-CD1 3.78Å; E1077-L1096 HydrophobicContact CG-CD2 4.03Å; Q1092-L1096 HydrophobicContact CG-CD1 3.4Å; Q1092-L1096 HydrophobicContact CG-CG 4.04Å; Q1092-L1096 WeakPolarHBondContact O-CG 3.25Å; Q1092-L1096 PolarHBondContact O-N 3.25Å |
| 1097 | T | 80 | Confident | 83.4 | Confident | 22 Ų | 22 | 43 Ų | 43 | 14% | 0.135 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -83.4 | -36.4 | -178.7 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | R304 G320 M323 K1093 P1094 I1095 | R304-T1097 PolarHBondContact NH1-O 3.47Å; G320-T1097 VanDerWaalsContact CA-CB 3.49Å; G320-T1097 WeakPolarHBondContact CA-OG1 3.49Å; M323-T1097 HydrophobicContact CB-CG2 4.48Å; M323-T1097 HydrophobicContact CG-CG2 3.76Å; M323-T1097 VanDerWaalsContact CG-O 3.22Å; M323-T1097 WeakPolarHBondContact CG-O 3.43Å; K1093-T1097 HydrophobicContact CG-CG2 4.31Å; P1094-T1097 WeakPolarHBondContact CA-OG1 3.35Å; P1094-T1097 CarbonylContact O-C 3.58Å; P1094-T1097 PolarHBondContact O-N 3.42Å; P1094-T1097 VanDerWaalsContact O-N 3.16Å; P1094-T1097 PolarHBondContact O-OG1 2.99Å; I1095-T1097 PolarHBondContact O-N 3.17Å; I1095-T1097 VanDerWaalsContact O-N 3.16Å |
| 1098 | D | 75.9 | Confident | 83.4 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -94.8 | -32.1 | -176.8 | -74.9 | -20.8 | 0 | 0 | 0 | 113.8 | R304 P319 G320 L322 P1094 I1095 | R304-D1098 VanDerWaalsContact NH1-C 3.32Å; R304-D1098 PolarHBondContact NH1-O 3.4Å; P319-D1098 WeakPolarHBondContact CA-OD2 3.38Å; G320-D1098 WeakPolarHBondContact CA-OD1 3.31Å; G320-D1098 PolarHBondContact N-OD1 3.47Å; G320-D1098 PolarHBondContact N-OD2 2.89Å; L322-D1098 HydrophobicContact CD1-CB 4.5Å; P1094-D1098 WeakPolarHBondContact O-CB 3.33Å; P1094-D1098 PolarHBondContact O-N 3.45Å; I1095-D1098 PolarHBondContact O-N 3Å |
| 1099 | M | 82.7 | Confident | 83.3 | Confident | 24 Ų | 24 | 39.9 Ų | 39.9 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | trans | -114.4 | 163.1 | -168.1 | -51.3 | -175.8 | -173.1 | 0 | 0 | 111 | R304 Y1073 I1095 N1105 F1106 E1109 | R304-M1099 PolarHBondContact NH1-O 3.26Å; Y1073-M1099 PolarHBondContact OH-O 3.34Å; I1095-M1099 WeakPolarHBondContact O-CB 3.49Å; I1095-M1099 PolarHBondContact O-N 2.98Å; M1099-N1105 HydrophobicContact CE-CB 4.4Å; M1099-N1105 HydrophobicContact SD-CB 4.28Å; M1099-F1106 HydrophobicContact CB-CB 4.06Å; M1099-F1106 HydrophobicContact SD-CB 3.91Å; M1099-E1109 HydrophobicContact CE-CG 4.08Å; M1099-E1109 HydrophobicContact SD-CG 4.36Å | ||
| 1100 | T | 77.7 | Confident | 83.3 | Confident | 29 Ų | 29 | 36 Ų | 36 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | trans | -114.5 | 158.3 | 168.7 | 72.3 | 0 | 0 | 0 | 0 | 108.8 | Y1102 D1103 | T1100-Y1102 PolarHBondContact O-N 3.07Å; T1100-D1103 PolarHBondContact N-OD2 3.14Å; T1100-D1103 PolarHBondContact O-N 3.32Å; T1100-D1103 PolarHBondContact OG1-OD1 2.86Å; T1100-D1103 VanDerWaalsContact OG1-OD1 3.07Å; T1100-D1103 PolarHBondContact OG1-OD2 3.05Å; T1100-D1103 VanDerWaalsContact OG1-OD2 3.1Å | ||
| 1101 | P | 77.1 | Confident | 83.1 | Confident | 27 Ų | 27 | 36 Ų | 36 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -10.6 | 179.7 | 23.4 | -34.3 | 0 | 0 | 0 | 114.1 | Q1070 Y1073 | Q1070-P1101 HydrophobicContact CG-CB 4.25Å; Y1073-P1101 HydrophobicContact CD1-CB 4.23Å; Y1073-P1101 HydrophobicContact CD1-CG 4.27Å; Y1073-P1101 HydrophobicContact CD2-CB 3.95Å; Y1073-P1101 HydrophobicContact CD2-CG 4.48Å; Y1073-P1101 HydrophobicContact CG-CB 3.75Å; Y1073-P1101 HydrophobicContact CG-CG 4.26Å |
| 1102 | Y | 75.3 | Confident | 82.9 | Confident | 155 Ų | 155 | 35.8 Ų | 35.8 | 61% | 0.608 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -7.8 | -179.9 | -49.2 | -71.9 | 0 | 0 | 0 | 113.6 | Q1070 T1100 | Q1070-Y1102 HydrophobicContact CG-CE1 4.34Å; T1100-Y1102 PolarHBondContact O-N 3.07Å |
| 1103 | D | 73.8 | Confident | 83 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | trans | -73 | 134.9 | 179.6 | -66.4 | -26.9 | 0 | 0 | 0 | 109.4 | K195 T1100 N1105 F1106 V1107 | K195-D1103 IonicContact NZ-OD1 2.94Å; K195-D1103 IonicContact NZ-OD2 3.23Å; T1100-D1103 PolarHBondContact N-OD2 3.14Å; T1100-D1103 PolarHBondContact O-N 3.32Å; T1100-D1103 PolarHBondContact OG1-OD1 2.86Å; T1100-D1103 VanDerWaalsContact OG1-OD1 3.07Å; T1100-D1103 PolarHBondContact OG1-OD2 3.05Å; T1100-D1103 VanDerWaalsContact OG1-OD2 3.1Å; D1103-N1105 PolarHBondContact O-N 3.32Å; D1103-F1106 PolarHBondContact O-N 3.12Å; D1103-F1106 VanDerWaalsContact O-N 3.14Å; D1103-V1107 PolarHBondContact O-N 3.28Å | ||
| 1104 | L | 75.9 | Confident | 83.4 | Confident | 20 Ų | 20 | 27.6 Ų | 27.6 | 11% | 0.105 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -35 | 177.4 | -89.3 | 174.6 | 0 | 0 | 0 | 111.3 | A257 F1106 V1107 D1108 | A257-L1104 HydrophobicContact CB-CB 4.26Å; A257-L1104 HydrophobicContact CB-CD1 4.24Å; A257-L1104 PolarHBondContact O-N 3.11Å; L1104-F1106 PolarHBondContact O-N 2.99Å; L1104-V1107 WeakPolarHBondContact O-CA 3.25Å; L1104-V1107 WeakPolarHBondContact O-CB 3.29Å; L1104-V1107 PolarHBondContact O-N 2.7Å; L1104-V1107 VanDerWaalsContact O-N 3.09Å; L1104-D1108 PolarHBondContact O-N 3.12Å |
| 1105 | N | 79.5 | Confident | 83.7 | Confident | 39 Ų | 39 | 27.8 Ų | 27.8 | 21% | 0.209 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -34.8 | 179.2 | -61.1 | -5.3 | 0 | 0 | 0 | 111.8 | M1099 D1103 D1108 E1109 | M1099-N1105 HydrophobicContact CE-CB 4.4Å; M1099-N1105 HydrophobicContact SD-CB 4.28Å; D1103-N1105 PolarHBondContact O-N 3.32Å; N1105-D1108 PolarHBondContact O-N 3.29Å; N1105-E1109 WeakPolarHBondContact O-CG 3.25Å; N1105-E1109 PolarHBondContact O-N 2.82Å |
| 1106 | F | 86.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.2 | -41.8 | 175.1 | 171.8 | -106.7 | 0 | 0 | 0 | 111.7 | Y1069 V1072 Y1073 I1095 M1099 D1103 L1104 D1108 E1109 V1110 | Y1069-F1106 VanDerWaalsContact O-CE1 3.24Å; Y1069-F1106 WeakPolarHBondContact O-CE1 3.43Å; V1072-F1106 HydrophobicContact CB-CZ 4.48Å; V1072-F1106 HydrophobicContact CG1-CZ 4.17Å; Y1073-F1106 HydrophobicContact CD2-CD1 4.31Å; Y1073-F1106 HydrophobicContact CD2-CD2 4.22Å; Y1073-F1106 HydrophobicContact CD2-CE1 4.03Å; Y1073-F1106 AromaticContact CD2-CE2 3.93Å; Y1073-F1106 HydrophobicContact CD2-CE2 3.93Å; Y1073-F1106 HydrophobicContact CD2-CG 4.4Å; Y1073-F1106 AromaticContact CD2-CZ 3.83Å; Y1073-F1106 HydrophobicContact CD2-CZ 3.83Å; Y1073-F1106 HydrophobicContact CG-CE1 4.46Å; Y1073-F1106 HydrophobicContact CG-CZ 4.25Å; I1095-F1106 HydrophobicContact CG2-CD2 3.52Å; I1095-F1106 HydrophobicContact CG2-CE2 3.71Å; M1099-F1106 HydrophobicContact CB-CB 4.06Å; M1099-F1106 HydrophobicContact SD-CB 3.91Å; D1103-F1106 PolarHBondContact O-N 3.12Å; D1103-F1106 VanDerWaalsContact O-N 3.14Å; L1104-F1106 PolarHBondContact O-N 2.99Å; F1106-D1108 PolarHBondContact O-N 3.27Å; F1106-E1109 PolarHBondContact O-N 3.01Å; F1106-V1110 HydrophobicContact CD2-CG2 4.41Å; F1106-V1110 HydrophobicContact CE1-CG2 4.09Å; F1106-V1110 HydrophobicContact CE2-CG2 3.85Å; F1106-V1110 HydrophobicContact CZ-CG2 3.67Å; F1106-V1110 WeakPolarHBondContact O-CG2 3.28Å; F1106-V1110 PolarHBondContact O-N 2.93Å; F1106-V1110 VanDerWaalsContact O-N 3.12Å |
| 1107 | V | 86.6 | Confident | 84 | Confident | 9 Ų | 9 | 28.5 Ų | 28.5 | 6% | 0.055 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.9 | -41.1 | 173.2 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | K865 F866 Y1069 D1103 L1104 V1110 E1111 | K865-V1107 HydrophobicContact CB-CG1 4.1Å; K865-V1107 HydrophobicContact CG-CG1 4.1Å; F866-V1107 HydrophobicContact CE2-CG1 4.32Å; Y1069-V1107 HydrophobicContact CD1-CB 4.25Å; Y1069-V1107 HydrophobicContact CD1-CG1 4.09Å; Y1069-V1107 HydrophobicContact CD1-CG2 4.04Å; Y1069-V1107 HydrophobicContact CD2-CG1 4.5Å; Y1069-V1107 HydrophobicContact CD2-CG2 4.16Å; Y1069-V1107 HydrophobicContact CE1-CB 4.29Å; Y1069-V1107 HydrophobicContact CE1-CG1 3.67Å; Y1069-V1107 HydrophobicContact CE1-CG2 4.45Å; Y1069-V1107 HydrophobicContact CE2-CG1 4.11Å; Y1069-V1107 HydrophobicContact CG-CG1 4.49Å; Y1069-V1107 HydrophobicContact CG-CG2 3.89Å; D1103-V1107 PolarHBondContact O-N 3.28Å; L1104-V1107 WeakPolarHBondContact O-CA 3.25Å; L1104-V1107 WeakPolarHBondContact O-CB 3.29Å; L1104-V1107 PolarHBondContact O-N 2.7Å; L1104-V1107 VanDerWaalsContact O-N 3.09Å; V1107-V1110 PolarHBondContact O-N 3.25Å; V1107-E1111 WeakPolarHBondContact O-CB 3.41Å; V1107-E1111 VanDerWaalsContact O-CG 3.31Å; V1107-E1111 WeakPolarHBondContact O-CG 3.46Å; V1107-E1111 PolarHBondContact O-N 3.16Å |
| 1108 | D | 84.5 | Confident | 84.3 | Confident | 22 Ų | 22 | 29 Ų | 29 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.6 | -40.7 | 179.9 | -63 | -8.4 | 0 | 0 | 0 | 112.7 | Q802 F866 L1104 N1105 F1106 E1111 C1112 | Q802-D1108 PolarHBondContact NE2-OD1 3.47Å; Q802-D1108 PolarHBondContact NE2-OD2 3.46Å; Q802-D1108 PolarHBondContact OE1-OD1 2.72Å; F866-D1108 WeakPolarHBondContact CE2-OD1 3.21Å; F866-D1108 HydrophobicContact CZ-CB 4.32Å; F866-D1108 VanDerWaalsContact CZ-OD1 3.22Å; F866-D1108 WeakPolarHBondContact CZ-OD1 3.45Å; L1104-D1108 PolarHBondContact O-N 3.12Å; N1105-D1108 PolarHBondContact O-N 3.29Å; F1106-D1108 PolarHBondContact O-N 3.27Å; D1108-E1111 PolarHBondContact O-N 3.16Å; D1108-C1112 WeakPolarHBondContact O-CB 3.49Å; D1108-C1112 PolarHBondContact O-N 2.87Å; D1108-C1112 PolarHBondContact O-SG 3.25Å; D1108-C1112 VanDerWaalsContact O-SG 3.34Å |
| 1109 | E | 88.5 | Confident | 85 | Confident | 88 Ų | 88 | 29 Ų | 29 | 41% | 0.411 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.1 | -47 | 174.5 | -72 | -59.7 | 155.5 | 0 | 0 | 111.2 | L1090 M1099 N1105 F1106 E1111 C1112 L1113 | L1090-E1109 HydrophobicContact CD1-CB 4.22Å; M1099-E1109 HydrophobicContact CE-CG 4.08Å; M1099-E1109 HydrophobicContact SD-CG 4.36Å; N1105-E1109 WeakPolarHBondContact O-CG 3.25Å; N1105-E1109 PolarHBondContact O-N 2.82Å; F1106-E1109 PolarHBondContact O-N 3.01Å; E1109-E1111 VanDerWaalsContact C-N 3.33Å; E1109-E1111 PolarHBondContact O-N 2.85Å; E1109-C1112 WeakPolarHBondContact O-CB 3.41Å; E1109-C1112 PolarHBondContact O-N 3.24Å; E1109-L1113 WeakPolarHBondContact O-CG 3.35Å; E1109-L1113 PolarHBondContact O-N 2.79Å |
| 1110 | V | 92.5 | Very high | 85.4 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 177 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | F1068 Y1069 V1072 L1090 F1106 V1107 L1113 L1114 | F1068-V1110 HydrophobicContact CE1-CG1 3.9Å; F1068-V1110 HydrophobicContact CZ-CG1 4.41Å; Y1069-V1110 HydrophobicContact CD1-CB 4.17Å; Y1069-V1110 HydrophobicContact CD1-CG1 4.14Å; Y1069-V1110 HydrophobicContact CE1-CB 4.29Å; Y1069-V1110 HydrophobicContact CE1-CG1 4.15Å; V1072-V1110 HydrophobicContact CG1-CG1 4.25Å; V1072-V1110 HydrophobicContact CG1-CG2 3.77Å; V1072-V1110 HydrophobicContact CG2-CG1 4.37Å; L1090-V1110 HydrophobicContact CD2-CG2 4.23Å; F1106-V1110 HydrophobicContact CD2-CG2 4.41Å; F1106-V1110 HydrophobicContact CE1-CG2 4.09Å; F1106-V1110 HydrophobicContact CE2-CG2 3.85Å; F1106-V1110 HydrophobicContact CZ-CG2 3.67Å; F1106-V1110 WeakPolarHBondContact O-CG2 3.28Å; F1106-V1110 PolarHBondContact O-N 2.93Å; F1106-V1110 VanDerWaalsContact O-N 3.12Å; V1107-V1110 PolarHBondContact O-N 3.25Å; V1110-L1113 WeakPolarHBondContact O-CB 3.35Å; V1110-L1113 PolarHBondContact O-N 3.21Å; V1110-L1114 HydrophobicContact CG1-CD1 4.41Å; V1110-L1114 PolarHBondContact O-N 3.24Å |
| 1111 | E | 90.1 | Very high | 86 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.2 | -31.2 | 179.6 | -74 | -70.9 | 167.7 | 0 | 0 | 113.3 | F866 Y1069 V1107 D1108 E1109 L1113 L1114 R1115 R1123 | F866-E1111 HydrophobicContact CD2-CB 3.77Å; F866-E1111 HydrophobicContact CD2-CG 3.44Å; F866-E1111 VanDerWaalsContact CD2-CG 3.44Å; F866-E1111 HydrophobicContact CE2-CB 3.59Å; F866-E1111 HydrophobicContact CE2-CG 3.59Å; F866-E1111 HydrophobicContact CG-CB 4.3Å; F866-E1111 HydrophobicContact CG-CG 4.22Å; F866-E1111 HydrophobicContact CZ-CB 3.99Å; F866-E1111 HydrophobicContact CZ-CG 4.46Å; Y1069-E1111 HydrophobicContact CE1-CG 4.16Å; Y1069-E1111 PolarHBondContact OH-OE1 3.39Å; V1107-E1111 WeakPolarHBondContact O-CB 3.41Å; V1107-E1111 VanDerWaalsContact O-CG 3.31Å; V1107-E1111 WeakPolarHBondContact O-CG 3.46Å; V1107-E1111 PolarHBondContact O-N 3.16Å; D1108-E1111 PolarHBondContact O-N 3.16Å; E1109-E1111 VanDerWaalsContact C-N 3.33Å; E1109-E1111 PolarHBondContact O-N 2.85Å; E1111-L1113 PolarHBondContact O-N 3.48Å; E1111-L1114 PolarHBondContact O-N 3.46Å; E1111-L1114 VanDerWaalsContact O-N 3.15Å; E1111-R1115 WeakPolarHBondContact O-CB 3.46Å; E1111-R1115 PolarHBondContact O-N 3.49Å; E1111-R1123 IonicContact OE1-NH2 2.7Å; E1111-R1123 IonicContact OE2-CZ 2.86Å; E1111-R1123 IonicContact OE2-NH1 2.75Å; E1111-R1123 IonicContact OE2-NH2 2.71Å; E1111-R1123 PolarHBondContact OE2-NH2 3.3Å |
| 1112 | C | 88.8 | Confident | 86.7 | Confident | 42 Ų | 42 | 25.9 Ų | 25.9 | 28% | 0.284 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.1 | -25.5 | 171.6 | -84.4 | 0 | 0 | 0 | 0 | 113.1 | D1108 E1109 R1115 P1116 | D1108-C1112 WeakPolarHBondContact O-CB 3.49Å; D1108-C1112 PolarHBondContact O-N 2.87Å; D1108-C1112 PolarHBondContact O-SG 3.25Å; D1108-C1112 VanDerWaalsContact O-SG 3.34Å; E1109-C1112 WeakPolarHBondContact O-CB 3.41Å; E1109-C1112 PolarHBondContact O-N 3.24Å; C1112-R1115 PolarHBondContact SG-NH2 2.91Å; C1112-R1115 VanDerWaalsContact SG-NH2 3.37Å; C1112-P1116 WeakPolarHBondContact O-CD 3.47Å |
| 1113 | L | 91.6 | Very high | 87.6 | Confident | 10 Ų | 10 | 18.7 Ų | 18.7 | 5% | 0.052 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -80.8 | -36.1 | 173.2 | -59.9 | 172 | 0 | 0 | 0 | 112.7 | I1085 K1088 L1090 E1109 V1110 E1111 P1116 | I1085-L1113 HydrophobicContact CB-CB 4.13Å; I1085-L1113 HydrophobicContact CD1-CB 4.35Å; I1085-L1113 HydrophobicContact CD1-CD1 4.44Å; I1085-L1113 HydrophobicContact CG2-CB 4.37Å; K1088-L1113 HydrophobicContact CB-CD2 3.29Å; K1088-L1113 HydrophobicContact CD-CD2 4.33Å; K1088-L1113 HydrophobicContact CG-CD2 4.47Å; L1090-L1113 HydrophobicContact CB-CD1 3.5Å; L1090-L1113 HydrophobicContact CD1-CD1 3.6Å; L1090-L1113 HydrophobicContact CD2-CD1 4.22Å; L1090-L1113 HydrophobicContact CG-CD1 3.94Å; E1109-L1113 WeakPolarHBondContact O-CG 3.35Å; E1109-L1113 PolarHBondContact O-N 2.79Å; V1110-L1113 WeakPolarHBondContact O-CB 3.35Å; V1110-L1113 PolarHBondContact O-N 3.21Å; E1111-L1113 PolarHBondContact O-N 3.48Å; L1113-P1116 WeakPolarHBondContact O-CD 3.34Å |
| 1114 | L | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -80.9 | -25.7 | -179.5 | -62 | 173.7 | 0 | 0 | 0 | 112.9 | F1068 I1085 V1110 E1111 I1117 R1123 V1126 | F1068-L1114 HydrophobicContact CE1-CD1 4.06Å; F1068-L1114 HydrophobicContact CZ-CD1 4.03Å; I1085-L1114 HydrophobicContact CD1-CD2 4.29Å; I1085-L1114 HydrophobicContact CG2-CD2 4.24Å; V1110-L1114 HydrophobicContact CG1-CD1 4.41Å; V1110-L1114 PolarHBondContact O-N 3.24Å; E1111-L1114 PolarHBondContact O-N 3.46Å; E1111-L1114 VanDerWaalsContact O-N 3.15Å; L1114-I1117 HydrophobicContact CD2-CD1 4.27Å; L1114-I1117 WeakPolarHBondContact O-CB 3.34Å; L1114-I1117 PolarHBondContact O-N 2.97Å; L1114-R1123 PolarHBondContact O-NH1 2.78Å; L1114-V1126 HydrophobicContact CD2-CG1 3.59Å |
| 1115 | R | 88.4 | Confident | 89.2 | Confident | 47 Ų | 47 | 17.5 Ų | 17.5 | 18% | 0.177 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -41.5 | -174.5 | -164.8 | -178.7 | -52.9 | 132.4 | 12.4 | 115 | V814 R868 E1111 C1112 I1117 | V814-R1115 VanDerWaalsContact CG2-NH2 3.3Å; R868-R1115 PolarHBondContact NH2-O 3.23Å; E1111-R1115 WeakPolarHBondContact O-CB 3.46Å; E1111-R1115 PolarHBondContact O-N 3.49Å; C1112-R1115 PolarHBondContact SG-NH2 2.91Å; C1112-R1115 VanDerWaalsContact SG-NH2 3.37Å; R1115-I1117 PolarHBondContact O-N 2.7Å; R1115-I1117 VanDerWaalsContact O-N 3.12Å |
| 1116 | P | 87.8 | Confident | 90 | Very high | 40 Ų | 40 | 15.7 Ų | 15.7 | 26% | 0.26 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.1 | 179.3 | -22.4 | 34.9 | 0 | 0 | 0 | 114.3 | Y1086 K1088 C1112 L1113 C1118 | Y1086-P1116 HydrophobicContact CD1-CB 3.86Å; Y1086-P1116 HydrophobicContact CE1-CB 4.33Å; K1088-P1116 HydrophobicContact CD-CG 4.36Å; C1112-P1116 WeakPolarHBondContact O-CD 3.47Å; L1113-P1116 WeakPolarHBondContact O-CD 3.34Å; P1116-C1118 PolarHBondContact O-N 3.39Å; P1116-C1118 VanDerWaalsContact O-N 3.11Å |
| 1117 | I | 88.9 | Confident | 90.3 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | trans | -71 | 107.6 | 178.5 | -57.6 | 171.6 | 0 | 0 | 0 | 109.2 | I1085 Y1086 L1114 R1115 D1119 Y1122 R1123 V1126 | I1085-I1117 HydrophobicContact CG2-CD1 4.23Å; Y1086-I1117 HydrophobicContact CD2-CG1 3.85Å; Y1086-I1117 HydrophobicContact CE2-CG1 4.44Å; Y1086-I1117 HydrophobicContact CG-CG1 4.07Å; L1114-I1117 HydrophobicContact CD2-CD1 4.27Å; L1114-I1117 WeakPolarHBondContact O-CB 3.34Å; L1114-I1117 PolarHBondContact O-N 2.97Å; R1115-I1117 PolarHBondContact O-N 2.7Å; R1115-I1117 VanDerWaalsContact O-N 3.12Å; I1117-D1119 WeakPolarHBondContact CG2-O 3.43Å; I1117-Y1122 HydrophobicContact CD1-CD1 4.49Å; I1117-Y1122 HydrophobicContact CG2-CD1 3.71Å; I1117-R1123 HydrophobicContact CB-CB 4.29Å; I1117-R1123 HydrophobicContact CG2-CB 3.75Å; I1117-V1126 HydrophobicContact CD1-CB 4.36Å; I1117-V1126 HydrophobicContact CD1-CG1 4.4Å; I1117-V1126 HydrophobicContact CD1-CG2 4.01Å | ||
| 1118 | C | 87.2 | Confident | 90.7 | Very high | 32 Ų | 32 | 15.6 Ų | 15.6 | 22% | 0.216 | 8% | 0.084 | C | C | . | . | trans | -86.9 | -11.2 | 179.6 | -66.5 | 0 | 0 | 0 | 0 | 114.2 | Q809 W871 P1116 P1120 S1186 | Q809-C1118 HydrophobicContact CG-CB 4.45Å; W871-C1118 HydrophobicContact CH2-CB 4.43Å; W871-C1118 WeakPolarHBondContact CH2-O 3.18Å; W871-C1118 HydrophobicContact CZ2-CB 4.47Å; P1116-C1118 PolarHBondContact O-N 3.39Å; P1116-C1118 VanDerWaalsContact O-N 3.11Å; C1118-P1120 WeakPolarHBondContact O-CD 3.43Å; C1118-S1186 WeakPolarHBondContact CB-OG 3.33Å | ||
| 1119 | D | 89.3 | Confident | 91.2 | Very high | 8 Ų | 8 | 14.6 Ų | 14.6 | 4% | 0.043 | 8% | 0.078 | C | C | . | . | trans | -95.1 | 112.8 | 172.3 | -178.4 | -10.2 | 0 | 0 | 0 | 110.2 | I1117 A1121 Y1122 R1123 R1181 Y1199 | I1117-D1119 WeakPolarHBondContact CG2-O 3.43Å; D1119-A1121 VanDerWaalsContact C-N 3.35Å; D1119-A1121 PolarHBondContact O-N 2.91Å; D1119-A1121 PolarHBondContact OD1-N 3.01Å; D1119-Y1122 PolarHBondContact O-N 3.27Å; D1119-Y1122 PolarHBondContact OD1-N 3.42Å; D1119-R1123 PolarHBondContact O-N 3.25Å; D1119-R1181 IonicContact OD1-NH2 3.46Å; D1119-R1181 IonicContact OD2-CZ 3.29Å; D1119-R1181 IonicContact OD2-NE 2.64Å; D1119-R1181 IonicContact OD2-NH2 3.52Å; D1119-R1181 PolarHBondContact OD2-NH2 3.43Å; D1119-Y1199 WeakPolarHBondContact OD2-CE1 3.3Å; D1119-Y1199 PolarHBondContact OD2-OH 3Å | ||
| 1120 | P | 91.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 10.4 Ų | 10.4 | 2% | 0.019 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.9 | -41.9 | 178 | -25.8 | 36.4 | 0 | 0 | 0 | 113.8 | W871 Q1056 G1059 C1060 C1118 Y1122 R1123 S1124 W1185 | W871-P1120 HydrophobicContact CE3-CG 3.94Å; W871-P1120 HydrophobicContact CZ3-CG 3.61Å; Q1056-P1120 HydrophobicContact CB-CB 4.44Å; Q1056-P1120 VanDerWaalsContact O-CB 3.25Å; Q1056-P1120 WeakPolarHBondContact O-CB 3.49Å; G1059-P1120 VanDerWaalsContact CA-O 3.31Å; G1059-P1120 WeakPolarHBondContact CA-O 3.35Å; C1060-P1120 VanDerWaalsContact SG-CB 3.59Å; C1060-P1120 WeakPolarHBondContact SG-CG 3.29Å; C1118-P1120 WeakPolarHBondContact O-CD 3.43Å; P1120-Y1122 VanDerWaalsContact C-N 3.33Å; P1120-Y1122 PolarHBondContact O-N 2.97Å; P1120-R1123 PolarHBondContact O-N 3.23Å; P1120-S1124 PolarHBondContact O-N 2.76Å; P1120-W1185 HydrophobicContact CG-CD2 4.36Å; P1120-W1185 HydrophobicContact CG-CE3 4.41Å; P1120-W1185 HydrophobicContact CG-CH2 4.3Å; P1120-W1185 HydrophobicContact CG-CZ2 4.22Å; P1120-W1185 HydrophobicContact CG-CZ3 4.38Å |
| 1121 | A | 90.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 2% | 0.017 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1052 R1055 Q1056 D1119 S1124 L1125 T1203 | L1052-A1121 HydrophobicContact CD1-CB 4.11Å; R1055-A1121 HydrophobicContact CB-CB 4.32Å; Q1056-A1121 HydrophobicContact CG-CB 4Å; D1119-A1121 VanDerWaalsContact C-N 3.35Å; D1119-A1121 PolarHBondContact O-N 2.91Å; D1119-A1121 PolarHBondContact OD1-N 3.01Å; A1121-S1124 PolarHBondContact O-N 3.29Å; A1121-L1125 PolarHBondContact O-N 3.35Å; A1121-T1203 HydrophobicContact CB-CG2 4.17Å |
| 1122 | Y | 92.1 | Very high | 91.8 | Very high | 9 Ų | 9 | 11.7 Ų | 11.7 | 4% | 0.035 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 175.3 | -171.7 | -105.7 | 0 | 0 | 0 | 111.8 | Y1086 I1117 D1119 P1120 S1124 L1125 V1126 I1155 I1190 Y1199 | Y1086-Y1122 HydrophobicContact CD2-CE1 4.39Å; I1117-Y1122 HydrophobicContact CD1-CD1 4.49Å; I1117-Y1122 HydrophobicContact CG2-CD1 3.71Å; D1119-Y1122 PolarHBondContact O-N 3.27Å; D1119-Y1122 PolarHBondContact OD1-N 3.42Å; P1120-Y1122 VanDerWaalsContact C-N 3.33Å; P1120-Y1122 PolarHBondContact O-N 2.97Å; Y1122-S1124 VanDerWaalsContact C-N 3.27Å; Y1122-S1124 PolarHBondContact O-N 2.6Å; Y1122-L1125 WeakPolarHBondContact O-CB 3.18Å; Y1122-L1125 PolarHBondContact O-N 3.31Å; Y1122-L1125 VanDerWaalsContact O-N 3.13Å; Y1122-V1126 HydrophobicContact CD1-CG2 4.05Å; Y1122-V1126 HydrophobicContact CE1-CG2 3.61Å; Y1122-V1126 WeakPolarHBondContact O-CG2 3.32Å; Y1122-V1126 PolarHBondContact O-N 3.13Å; Y1122-I1155 HydrophobicContact CE2-CD1 3.83Å; Y1122-I1155 HydrophobicContact CE2-CG2 4.01Å; Y1122-I1190 HydrophobicContact CD1-CD1 4.01Å; Y1122-I1190 HydrophobicContact CD2-CD1 3.76Å; Y1122-I1190 HydrophobicContact CE1-CD1 3.53Å; Y1122-I1190 HydrophobicContact CE2-CD1 3.23Å; Y1122-I1190 HydrophobicContact CG-CD1 4.13Å; Y1122-I1190 WeakPolarHBondContact OH-CD1 3.35Å; Y1122-Y1199 WeakPolarHBondContact CB-OH 3.25Å; Y1122-Y1199 HydrophobicContact CD2-CE2 4.34Å; Y1122-Y1199 PolarHBondContact N-OH 3.45Å |
| 1123 | R | 92.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 9.7 Ų | 9.7 | 2% | 0.019 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.4 | -42.5 | 175.1 | -177.9 | 175.9 | 167.4 | 108.1 | 5.3 | 111.2 | G1059 E1111 L1114 I1117 D1119 P1120 V1126 V1127 | G1059-R1123 WeakPolarHBondContact O-CD 3.21Å; E1111-R1123 IonicContact OE1-NH2 2.7Å; E1111-R1123 IonicContact OE2-CZ 2.86Å; E1111-R1123 IonicContact OE2-NH1 2.75Å; E1111-R1123 IonicContact OE2-NH2 2.71Å; E1111-R1123 PolarHBondContact OE2-NH2 3.3Å; L1114-R1123 PolarHBondContact O-NH1 2.78Å; I1117-R1123 HydrophobicContact CB-CB 4.29Å; I1117-R1123 HydrophobicContact CG2-CB 3.75Å; D1119-R1123 PolarHBondContact O-N 3.25Å; P1120-R1123 PolarHBondContact O-N 3.23Å; R1123-V1126 PolarHBondContact O-N 3.12Å; R1123-V1127 PolarHBondContact O-N 3.06Å |
| 1124 | S | 92.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 9.2 Ų | 9.2 | 3% | 0.028 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 175 | -173.4 | 0 | 0 | 0 | 0 | 112 | Y960 R1055 P1120 A1121 Y1122 V1126 V1127 E1128 | Y960-S1124 PolarHBondContact OH-OG 2.94Å; R1055-S1124 WeakPolarHBondContact O-CB 3.43Å; P1120-S1124 PolarHBondContact O-N 2.76Å; A1121-S1124 PolarHBondContact O-N 3.29Å; Y1122-S1124 VanDerWaalsContact C-N 3.27Å; Y1122-S1124 PolarHBondContact O-N 2.6Å; S1124-V1126 VanDerWaalsContact C-N 3.32Å; S1124-V1126 PolarHBondContact O-N 3.12Å; S1124-V1127 PolarHBondContact O-N 2.6Å; S1124-E1128 PolarHBondContact O-N 3.15Å |
| 1125 | L | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.8 | -35.5 | 174.3 | -81.1 | 174.9 | 0 | 0 | 0 | 113.6 | A1121 Y1122 E1128 T1129 I1155 Y1199 F1202 T1203 T1213 | A1121-L1125 PolarHBondContact O-N 3.35Å; Y1122-L1125 WeakPolarHBondContact O-CB 3.18Å; Y1122-L1125 PolarHBondContact O-N 3.31Å; Y1122-L1125 VanDerWaalsContact O-N 3.13Å; L1125-E1128 PolarHBondContact O-N 2.79Å; L1125-T1129 WeakPolarHBondContact O-CB 3.39Å; L1125-T1129 PolarHBondContact O-N 3.25Å; L1125-T1129 PolarHBondContact O-OG1 3.35Å; L1125-I1155 HydrophobicContact CB-CD1 4.42Å; L1125-Y1199 HydrophobicContact CD1-CE2 4.14Å; L1125-F1202 HydrophobicContact CD1-CD1 4.12Å; L1125-F1202 HydrophobicContact CD1-CE1 4.21Å; L1125-F1202 HydrophobicContact CD2-CD1 4.47Å; L1125-F1202 HydrophobicContact CD2-CE1 4.02Å; L1125-T1203 HydrophobicContact CD1-CG2 3.5Å; L1125-T1203 VanDerWaalsContact CD1-CG2 3.5Å; L1125-T1203 HydrophobicContact CG-CG2 4.39Å; L1125-T1213 HydrophobicContact CD2-CG2 4.44Å |
| 1126 | V | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.006 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 174 | 166.8 | 0 | 0 | 0 | 0 | 110.6 | I1085 L1114 I1117 Y1122 R1123 S1124 T1129 M1130 I1151 I1155 | I1085-V1126 HydrophobicContact CG2-CG1 4.26Å; L1114-V1126 HydrophobicContact CD2-CG1 3.59Å; I1117-V1126 HydrophobicContact CD1-CB 4.36Å; I1117-V1126 HydrophobicContact CD1-CG1 4.4Å; I1117-V1126 HydrophobicContact CD1-CG2 4.01Å; Y1122-V1126 HydrophobicContact CD1-CG2 4.05Å; Y1122-V1126 HydrophobicContact CE1-CG2 3.61Å; Y1122-V1126 WeakPolarHBondContact O-CG2 3.32Å; Y1122-V1126 PolarHBondContact O-N 3.13Å; R1123-V1126 PolarHBondContact O-N 3.12Å; S1124-V1126 VanDerWaalsContact C-N 3.32Å; S1124-V1126 PolarHBondContact O-N 3.12Å; V1126-T1129 PolarHBondContact O-N 3.43Å; V1126-M1130 WeakPolarHBondContact O-CG 3.23Å; V1126-M1130 PolarHBondContact O-N 2.7Å; V1126-I1151 HydrophobicContact CG1-CG2 4.13Å; V1126-I1151 HydrophobicContact CG2-CG2 4.31Å; V1126-I1155 HydrophobicContact CG2-CD1 3.8Å |
| 1127 | V | 94.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 7.6 Ų | 7.6 | 2% | 0.024 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | V1064 F1068 R1123 S1124 T1129 M1130 M1131 | V1064-V1127 HydrophobicContact CB-CG1 4.42Å; V1064-V1127 HydrophobicContact CG1-CG1 4.11Å; V1064-V1127 HydrophobicContact CG1-CG2 3.93Å; F1068-V1127 HydrophobicContact CD2-CG1 3.95Å; F1068-V1127 HydrophobicContact CE2-CB 4.27Å; F1068-V1127 HydrophobicContact CE2-CG1 3.86Å; F1068-V1127 HydrophobicContact CE2-CG2 4.16Å; F1068-V1127 HydrophobicContact CZ-CG2 4.24Å; R1123-V1127 PolarHBondContact O-N 3.06Å; S1124-V1127 PolarHBondContact O-N 2.6Å; V1127-T1129 VanDerWaalsContact C-N 3.28Å; V1127-T1129 PolarHBondContact O-N 2.64Å; V1127-M1130 WeakPolarHBondContact O-CB 3.38Å; V1127-M1130 PolarHBondContact O-N 3.46Å; V1127-M1131 WeakPolarHBondContact O-CG 3.41Å; V1127-M1131 PolarHBondContact O-N 3.48Å |
| 1128 | E | 93.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 2% | 0.019 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -55 | -45.1 | 175.4 | -170 | 178.4 | 149.3 | 0 | 0 | 111.1 | Y960 R1055 S1124 L1125 M1131 V1132 T1213 T1214 I1217 | Y960-E1128 HydrophobicContact CE1-CB 4.04Å; Y960-E1128 HydrophobicContact CE1-CG 4.13Å; R1055-E1128 IonicContact CZ-OE2 2.99Å; R1055-E1128 IonicContact NE-OE2 2.74Å; R1055-E1128 PolarHBondContact NE-OE2 3.26Å; R1055-E1128 IonicContact NH2-OE1 2.77Å; R1055-E1128 IonicContact NH2-OE2 3.76Å; R1055-E1128 PolarHBondContact NH2-OE2 3.44Å; S1124-E1128 PolarHBondContact O-N 3.15Å; L1125-E1128 PolarHBondContact O-N 2.79Å; E1128-M1131 PolarHBondContact O-N 3.24Å; E1128-V1132 WeakPolarHBondContact O-CG2 3.19Å; E1128-V1132 PolarHBondContact O-N 3.18Å; E1128-T1213 WeakPolarHBondContact OE1-CB 3.26Å; E1128-T1213 PolarHBondContact OE1-OG1 2.96Å; E1128-T1214 PolarHBondContact OE1-N 3.29Å; E1128-T1214 PolarHBondContact OE1-OG1 3.36Å; E1128-I1217 HydrophobicContact CG-CD1 4.2Å |
| 1129 | T | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | L1125 V1126 V1127 M1131 V1132 I1133 I1151 I1154 I1155 I1217 | L1125-T1129 WeakPolarHBondContact O-CB 3.39Å; L1125-T1129 PolarHBondContact O-N 3.25Å; L1125-T1129 PolarHBondContact O-OG1 3.35Å; V1126-T1129 PolarHBondContact O-N 3.43Å; V1127-T1129 VanDerWaalsContact C-N 3.28Å; V1127-T1129 PolarHBondContact O-N 2.64Å; T1129-M1131 VanDerWaalsContact C-N 3.33Å; T1129-M1131 PolarHBondContact O-N 3.02Å; T1129-V1132 PolarHBondContact O-N 3.32Å; T1129-I1133 HydrophobicContact CG2-CD1 4.02Å; T1129-I1133 VanDerWaalsContact O-CG1 3.29Å; T1129-I1133 WeakPolarHBondContact O-CG1 3.38Å; T1129-I1133 PolarHBondContact O-N 3.36Å; T1129-I1151 HydrophobicContact CG2-CG2 3.99Å; T1129-I1154 HydrophobicContact CG2-CB 4.25Å; T1129-I1154 HydrophobicContact CG2-CG2 3.58Å; T1129-I1155 HydrophobicContact CG2-CG1 4.35Å; T1129-I1155 WeakPolarHBondContact OG1-CG1 3.34Å; T1129-I1217 HydrophobicContact CG2-CG2 3.97Å |
| 1130 | M | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.2 | -46.8 | 173.7 | -69.6 | -64.7 | 90.5 | 0 | 0 | 111.8 | F1068 V1072 I1075 I1083 V1126 V1127 V1132 I1133 A1134 I1151 | F1068-M1130 HydrophobicContact CE2-CB 3.8Å; F1068-M1130 HydrophobicContact CE2-CG 4.03Å; F1068-M1130 HydrophobicContact CZ-CG 4.42Å; V1072-M1130 HydrophobicContact CG2-CG 4.47Å; V1072-M1130 HydrophobicContact CG2-SD 4.43Å; I1075-M1130 HydrophobicContact CD1-CB 4.45Å; I1075-M1130 WeakPolarHBondContact CD1-O 3.41Å; I1075-M1130 HydrophobicContact CD1-SD 4.15Å; I1083-M1130 HydrophobicContact CG2-SD 4.37Å; V1126-M1130 WeakPolarHBondContact O-CG 3.23Å; V1126-M1130 PolarHBondContact O-N 2.7Å; V1127-M1130 WeakPolarHBondContact O-CB 3.38Å; V1127-M1130 PolarHBondContact O-N 3.46Å; M1130-V1132 VanDerWaalsContact C-N 3.32Å; M1130-V1132 PolarHBondContact O-N 3.23Å; M1130-I1133 HydrophobicContact CE-CD1 3.67Å; M1130-I1133 PolarHBondContact O-N 3.04Å; M1130-A1134 WeakPolarHBondContact O-CB 3.4Å; M1130-A1134 PolarHBondContact O-N 2.87Å; M1130-I1151 HydrophobicContact CE-CB 4.28Å; M1130-I1151 HydrophobicContact CE-CD1 3Å; M1130-I1151 HydrophobicContact CE-CG1 3.39Å; M1130-I1151 HydrophobicContact CE-CG2 3.91Å; M1130-I1151 HydrophobicContact SD-CD1 4.43Å |
| 1131 | M | 94.2 | Very high | 92.7 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 10% | 0.103 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | -179.7 | -64.1 | -56.5 | -55.5 | 0 | 0 | 111.8 | P1065 F1068 D1071 V1127 E1128 T1129 A1134 V1135 | P1065-M1131 HydrophobicContact CB-CE 3.96Å; P1065-M1131 HydrophobicContact CB-SD 4.06Å; P1065-M1131 HydrophobicContact CG-CE 4.04Å; P1065-M1131 HydrophobicContact CG-CG 3.92Å; P1065-M1131 HydrophobicContact CG-SD 3.79Å; F1068-M1131 HydrophobicContact CB-SD 4.39Å; F1068-M1131 HydrophobicContact CD2-SD 3.91Å; D1071-M1131 WeakPolarHBondContact OD2-CE 3.35Å; V1127-M1131 WeakPolarHBondContact O-CG 3.41Å; V1127-M1131 PolarHBondContact O-N 3.48Å; E1128-M1131 PolarHBondContact O-N 3.24Å; T1129-M1131 VanDerWaalsContact C-N 3.33Å; T1129-M1131 PolarHBondContact O-N 3.02Å; M1131-A1134 PolarHBondContact O-N 2.76Å; M1131-V1135 VanDerWaalsContact O-CG2 3.28Å; M1131-V1135 WeakPolarHBondContact O-CG2 3.41Å; M1131-V1135 PolarHBondContact O-N 3.48Å |
| 1132 | V | 94.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | E1128 T1129 M1130 V1135 I1136 T1214 I1217 A1218 V1221 | E1128-V1132 WeakPolarHBondContact O-CG2 3.19Å; E1128-V1132 PolarHBondContact O-N 3.18Å; T1129-V1132 PolarHBondContact O-N 3.32Å; M1130-V1132 VanDerWaalsContact C-N 3.32Å; M1130-V1132 PolarHBondContact O-N 3.23Å; V1132-V1135 PolarHBondContact O-N 3.45Å; V1132-I1136 HydrophobicContact CG1-CD1 3.78Å; V1132-I1136 WeakPolarHBondContact O-CG1 3.49Å; V1132-I1136 PolarHBondContact O-N 3.16Å; V1132-T1214 HydrophobicContact CG2-CG2 3.59Å; V1132-I1217 HydrophobicContact CB-CG2 3.89Å; V1132-I1217 HydrophobicContact CG1-CG2 3.91Å; V1132-I1217 HydrophobicContact CG2-CG2 4.1Å; V1132-A1218 HydrophobicContact CG1-CB 3.88Å; V1132-V1221 HydrophobicContact CG1-CG2 4.49Å |
| 1133 | I | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 177.2 | -64.4 | 165.2 | 0 | 0 | 0 | 110.4 | I1075 T1129 M1130 V1135 I1136 L1137 F1145 V1149 I1151 I1154 V1221 | I1075-I1133 HydrophobicContact CD1-CB 4.12Å; I1075-I1133 HydrophobicContact CD1-CG2 4.07Å; I1075-I1133 HydrophobicContact CG1-CG2 3.96Å; I1075-I1133 HydrophobicContact CG2-CG2 4.02Å; T1129-I1133 HydrophobicContact CG2-CD1 4.02Å; T1129-I1133 VanDerWaalsContact O-CG1 3.29Å; T1129-I1133 WeakPolarHBondContact O-CG1 3.38Å; T1129-I1133 PolarHBondContact O-N 3.36Å; M1130-I1133 HydrophobicContact CE-CD1 3.67Å; M1130-I1133 PolarHBondContact O-N 3.04Å; I1133-V1135 PolarHBondContact O-N 3.19Å; I1133-I1136 PolarHBondContact O-N 3.35Å; I1133-L1137 HydrophobicContact CG2-CD1 3.86Å; I1133-L1137 HydrophobicContact CG2-CG 4.36Å; I1133-L1137 WeakPolarHBondContact O-CG 3.22Å; I1133-L1137 PolarHBondContact O-N 3.35Å; I1133-F1145 HydrophobicContact CG2-CE2 3.65Å; I1133-F1145 HydrophobicContact CG2-CZ 3.88Å; I1133-V1149 HydrophobicContact CD1-CG1 4.16Å; I1133-I1151 HydrophobicContact CD1-CD1 3.99Å; I1133-I1154 HydrophobicContact CD1-CD1 3.73Å; I1133-V1221 HydrophobicContact CB-CG1 4.49Å; I1133-V1221 HydrophobicContact CD1-CG2 4.32Å; I1133-V1221 HydrophobicContact CG1-CB 4.39Å; I1133-V1221 HydrophobicContact CG1-CG1 3.87Å; I1133-V1221 HydrophobicContact CG1-CG2 3.52Å |
| 1134 | A | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1071 I1075 M1130 M1131 I1136 L1137 Q1138 | D1071-A1134 HydrophobicContact CB-CB 3.61Å; I1075-A1134 HydrophobicContact CD1-CB 3.97Å; I1075-A1134 HydrophobicContact CG1-CB 4.07Å; M1130-A1134 WeakPolarHBondContact O-CB 3.4Å; M1130-A1134 PolarHBondContact O-N 2.87Å; M1131-A1134 PolarHBondContact O-N 2.76Å; A1134-I1136 VanDerWaalsContact C-N 3.33Å; A1134-I1136 PolarHBondContact O-N 3.29Å; A1134-L1137 PolarHBondContact O-N 3.16Å; A1134-Q1138 WeakPolarHBondContact O-CB 3.48Å; A1134-Q1138 WeakPolarHBondContact O-CG 3.44Å; A1134-Q1138 PolarHBondContact O-N 2.91Å |
| 1135 | V | 93.7 | Very high | 91.7 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 178.9 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | M1131 V1132 I1133 R1139 | M1131-V1135 VanDerWaalsContact O-CG2 3.28Å; M1131-V1135 WeakPolarHBondContact O-CG2 3.41Å; M1131-V1135 PolarHBondContact O-N 3.48Å; V1132-V1135 PolarHBondContact O-N 3.45Å; I1133-V1135 PolarHBondContact O-N 3.19Å; V1135-R1139 WeakPolarHBondContact O-CB 3.48Å; V1135-R1139 WeakPolarHBondContact O-CG 3.15Å; V1135-R1139 PolarHBondContact O-N 2.99Å; V1135-R1139 VanDerWaalsContact O-N 3.14Å |
| 1136 | I | 94.1 | Very high | 91.3 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -47.6 | 177.2 | -68.7 | 166.6 | 0 | 0 | 0 | 110.5 | V1132 I1133 A1134 Q1138 R1139 N1140 A1218 V1221 I1222 L1225 | V1132-I1136 HydrophobicContact CG1-CD1 3.78Å; V1132-I1136 WeakPolarHBondContact O-CG1 3.49Å; V1132-I1136 PolarHBondContact O-N 3.16Å; I1133-I1136 PolarHBondContact O-N 3.35Å; A1134-I1136 VanDerWaalsContact C-N 3.33Å; A1134-I1136 PolarHBondContact O-N 3.29Å; I1136-Q1138 PolarHBondContact O-N 3.47Å; I1136-R1139 PolarHBondContact O-N 2.63Å; I1136-N1140 PolarHBondContact O-N 3.2Å; I1136-N1140 PolarHBondContact O-ND2 2.88Å; I1136-A1218 HydrophobicContact CD1-CB 4.25Å; I1136-V1221 HydrophobicContact CD1-CB 3.93Å; I1136-V1221 HydrophobicContact CD1-CG1 3.65Å; I1136-I1222 HydrophobicContact CD1-CG1 4.21Å; I1136-L1225 HydrophobicContact CG2-CD1 3.54Å |
| 1137 | L | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.9 | -34.1 | 179.2 | -71.8 | 174.6 | 0 | 0 | 0 | 113 | F1074 I1075 R1078 I1133 A1134 R1139 N1140 L1143 F1145 L1225 | F1074-L1137 HydrophobicContact CD1-CB 4.38Å; F1074-L1137 HydrophobicContact CE1-CB 3.56Å; F1074-L1137 HydrophobicContact CZ-CB 4.34Å; I1075-L1137 HydrophobicContact CB-CD1 4.44Å; I1075-L1137 HydrophobicContact CG1-CD1 4.2Å; I1075-L1137 HydrophobicContact CG2-CD1 4.36Å; R1078-L1137 HydrophobicContact CB-CD1 3.77Å; R1078-L1137 HydrophobicContact CB-CD2 4.19Å; R1078-L1137 HydrophobicContact CG-CD1 4.07Å; R1078-L1137 HydrophobicContact CG-CD2 4.33Å; I1133-L1137 HydrophobicContact CG2-CD1 3.86Å; I1133-L1137 HydrophobicContact CG2-CG 4.36Å; I1133-L1137 WeakPolarHBondContact O-CG 3.22Å; I1133-L1137 PolarHBondContact O-N 3.35Å; A1134-L1137 PolarHBondContact O-N 3.16Å; L1137-R1139 VanDerWaalsContact C-N 3.32Å; L1137-N1140 CarbonylContact O-C 3.56Å; L1137-N1140 PolarHBondContact O-N 2.66Å; L1137-L1143 HydrophobicContact CD2-CB 4.26Å; L1137-F1145 HydrophobicContact CD1-CE2 4.07Å; L1137-L1225 HydrophobicContact CD2-CD1 4.33Å; L1137-L1225 HydrophobicContact CD2-CD2 3.9Å |
| 1138 | Q | 90.4 | Very high | 91 | Very high | 93 Ų | 93 | 40 Ų | 40 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.4 | -34.2 | 176.9 | -77 | 171.8 | 0 | 0 | 0 | 111.6 | D1071 F1074 A1134 I1136 | D1071-Q1138 PolarHBondContact OD1-NE2 2.91Å; F1074-Q1138 HydrophobicContact CD1-CG 3.81Å; F1074-Q1138 HydrophobicContact CE1-CB 4.23Å; F1074-Q1138 HydrophobicContact CE1-CG 3.44Å; F1074-Q1138 VanDerWaalsContact CE1-CG 3.44Å; F1074-Q1138 HydrophobicContact CZ-CG 3.98Å; A1134-Q1138 WeakPolarHBondContact O-CB 3.48Å; A1134-Q1138 WeakPolarHBondContact O-CG 3.44Å; A1134-Q1138 PolarHBondContact O-N 2.91Å; I1136-Q1138 PolarHBondContact O-N 3.47Å |
| 1139 | R | 90.8 | Very high | 91 | Very high | 149 Ų | 149 | 40 Ų | 40 | 56% | 0.562 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -79.6 | -23.2 | 177 | -72.1 | -178.5 | -178.2 | -174.3 | 4 | 113.5 | N963 V1135 I1136 L1137 | N963-R1139 PolarHBondContact ND2-NH2 2.74Å; V1135-R1139 WeakPolarHBondContact O-CB 3.48Å; V1135-R1139 WeakPolarHBondContact O-CG 3.15Å; V1135-R1139 PolarHBondContact O-N 2.99Å; V1135-R1139 VanDerWaalsContact O-N 3.14Å; I1136-R1139 PolarHBondContact O-N 2.63Å; L1137-R1139 VanDerWaalsContact C-N 3.32Å |
| 1140 | N | 89.4 | Confident | 90.9 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | trans | -129.2 | 81.5 | -176.9 | -50.9 | -85.6 | 0 | 0 | 0 | 108.9 | I1136 L1137 E1142 L1143 | I1136-N1140 PolarHBondContact O-N 3.2Å; I1136-N1140 PolarHBondContact O-ND2 2.88Å; L1137-N1140 CarbonylContact O-C 3.56Å; L1137-N1140 PolarHBondContact O-N 2.66Å; N1140-E1142 WeakPolarHBondContact CA-OE2 3.39Å; N1140-E1142 PolarHBondContact O-N 3.2Å; N1140-E1142 VanDerWaalsContact O-N 3.15Å; N1140-L1143 HydrophobicContact CB-CB 4.44Å; N1140-L1143 HydrophobicContact CB-CD1 3.58Å; N1140-L1143 HydrophobicContact CB-CG 3.79Å; N1140-L1143 PolarHBondContact O-N 2.97Å; N1140-L1143 VanDerWaalsContact O-N 3.14Å | ||
| 1141 | T | 83.8 | Confident | 90.9 | Very high | 90 Ų | 90 | 41.5 Ų | 41.5 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -1.1 | -175.7 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | R1078 | R1078-T1141 PolarHBondContact NH1-O 2.89Å; R1078-T1141 VanDerWaalsContact NH2-C 3.26Å; R1078-T1141 PolarHBondContact NH2-O 3.26Å |
| 1142 | E | 84.1 | Confident | 90.7 | Very high | 43 Ų | 43 | 44.6 Ų | 44.6 | 20% | 0.201 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -16.3 | 171.8 | 64.3 | -84.8 | -158.2 | 0 | 0 | 112.7 | N1140 I1230 D1231 | N1140-E1142 WeakPolarHBondContact CA-OE2 3.39Å; N1140-E1142 PolarHBondContact O-N 3.2Å; N1140-E1142 VanDerWaalsContact O-N 3.15Å; E1142-I1230 HydrophobicContact CB-CG2 4.17Å; E1142-I1230 HydrophobicContact CG-CG2 4.12Å; E1142-I1230 CarbonylContact O-C 3.58Å; E1142-I1230 WeakPolarHBondContact O-CA 3.44Å; E1142-D1231 PolarHBondContact O-N 3.48Å |
| 1143 | L | 86.7 | Confident | 90.5 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -89.9 | 140.3 | -173.8 | -61 | -178.3 | 0 | 0 | 0 | 113.1 | R1078 L1137 N1140 L1225 I1230 | R1078-L1143 PolarHBondContact NH1-O 2.72Å; L1137-L1143 HydrophobicContact CD2-CB 4.26Å; N1140-L1143 HydrophobicContact CB-CB 4.44Å; N1140-L1143 HydrophobicContact CB-CD1 3.58Å; N1140-L1143 HydrophobicContact CB-CG 3.79Å; N1140-L1143 PolarHBondContact O-N 2.97Å; N1140-L1143 VanDerWaalsContact O-N 3.14Å; L1143-L1225 HydrophobicContact CB-CD2 4.44Å; L1143-L1225 HydrophobicContact CD1-CD1 4.29Å; L1143-I1230 HydrophobicContact CD2-CD1 4.48Å; L1143-I1230 HydrophobicContact CD2-CG1 4Å |
| 1144 | S | 87.1 | Confident | 90.5 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | trans | -142.7 | 156.4 | 171.4 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | H1229 | S1144-H1229 PolarHBondContact N-O 3.46Å; S1144-H1229 VanDerWaalsContact N-O 3.14Å; S1144-H1229 PolarHBondContact OG-O 3.38Å | ||
| 1145 | F | 89.8 | Confident | 90.4 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 4% | 0.044 | 24% | 0.236 | C | C | . | . | trans | -85.7 | 134.4 | 175.2 | -71.7 | -81.1 | 0 | 0 | 0 | 110.7 | R1078 P1080 I1133 L1137 V1149 V1221 R1224 L1225 | R1078-F1145 PolarHBondContact O-N 3.19Å; P1080-F1145 WeakPolarHBondContact CD-O 3.49Å; I1133-F1145 HydrophobicContact CG2-CE2 3.65Å; I1133-F1145 HydrophobicContact CG2-CZ 3.88Å; L1137-F1145 HydrophobicContact CD1-CE2 4.07Å; F1145-V1149 HydrophobicContact CB-CG2 3.76Å; F1145-V1149 HydrophobicContact CD1-CG2 4.01Å; F1145-V1149 HydrophobicContact CD2-CG1 4.45Å; F1145-V1149 HydrophobicContact CD2-CG2 3.41Å; F1145-V1149 VanDerWaalsContact CD2-CG2 3.41Å; F1145-V1149 HydrophobicContact CE1-CG1 4.32Å; F1145-V1149 HydrophobicContact CE1-CG2 4.44Å; F1145-V1149 HydrophobicContact CE2-CG1 4.11Å; F1145-V1149 HydrophobicContact CE2-CG2 3.89Å; F1145-V1149 HydrophobicContact CG-CG2 3.47Å; F1145-V1149 VanDerWaalsContact CG-CG2 3.47Å; F1145-V1149 HydrophobicContact CZ-CG1 4.04Å; F1145-V1149 HydrophobicContact CZ-CG2 4.38Å; F1145-V1221 HydrophobicContact CZ-CG1 4.39Å; F1145-R1224 HydrophobicContact CE1-CB 4.33Å; F1145-L1225 HydrophobicContact CD1-CD2 3.7Å; F1145-L1225 HydrophobicContact CD1-CG 4.27Å; F1145-L1225 HydrophobicContact CD2-CD2 3.8Å; F1145-L1225 HydrophobicContact CE1-CD2 3.51Å; F1145-L1225 HydrophobicContact CE1-CG 3.66Å; F1145-L1225 HydrophobicContact CE2-CD2 3.63Å; F1145-L1225 HydrophobicContact CE2-CG 4.32Å; F1145-L1225 HydrophobicContact CG-CD2 3.84Å; F1145-L1225 HydrophobicContact CZ-CD1 4.3Å; F1145-L1225 HydrophobicContact CZ-CD2 3.48Å; F1145-L1225 VanDerWaalsContact CZ-CD2 3.48Å; F1145-L1225 HydrophobicContact CZ-CG 3.7Å | ||
| 1146 | D | 84.8 | Confident | 90.3 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -88.9 | -21.7 | 177.1 | -76.7 | 0.4 | 0 | 0 | 0 | 113.5 | H1081 G1228 H1229 | H1081-D1146 PolarHBondContact CE1-O 2.81Å; H1081-D1146 PolarHBondContact ND1-O 2.72Å; D1146-G1228 VanDerWaalsContact OD2-CA 3.24Å; D1146-G1228 WeakPolarHBondContact OD2-CA 3.4Å; D1146-H1229 WeakPolarHBondContact OD1-CA 3.39Å; D1146-H1229 WeakPolarHBondContact OD1-CB 3.33Å; D1146-H1229 PolarHBondContact OD1-N 2.74Å; D1146-H1229 PolarHBondContact OD2-N 3.43Å |
| 1147 | E | 88.9 | Confident | 90.1 | Very high | 147 Ų | 147 | 49.7 Ų | 49.7 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -116.4 | 175 | 179.1 | -64.1 | -174.6 | 170 | 0 | 0 | 110.4 | V1149 | E1147-V1149 PolarHBondContact O-N 3.02Š|
| 1148 | V | 92.1 | Very high | 90.1 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | trans | -57.9 | 131.4 | 171.4 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | H1081 L1084 L1089 D1150 | H1081-V1148 HydrophobicContact CB-CB 4.46Å; H1081-V1148 HydrophobicContact CB-CG2 3.71Å; L1084-V1148 HydrophobicContact CB-CG1 3.53Å; L1089-V1148 HydrophobicContact CD1-CG1 3.75Å; V1148-D1150 PolarHBondContact O-N 3.41Å | ||
| 1149 | V | 93.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 88.8 | 177.5 | -167.2 | 0 | 0 | 0 | 0 | 108.9 | S1079 G1082 L1084 I1133 F1145 E1147 I1151 I1154 | S1079-V1149 VanDerWaalsContact OG-CG2 3.25Å; S1079-V1149 WeakPolarHBondContact OG-CG2 3.4Å; G1082-V1149 PolarHBondContact O-N 2.76Å; L1084-V1149 PolarHBondContact N-O 3.41Å; I1133-V1149 HydrophobicContact CD1-CG1 4.16Å; F1145-V1149 HydrophobicContact CB-CG2 3.76Å; F1145-V1149 HydrophobicContact CD1-CG2 4.01Å; F1145-V1149 HydrophobicContact CD2-CG1 4.45Å; F1145-V1149 HydrophobicContact CD2-CG2 3.41Å; F1145-V1149 VanDerWaalsContact CD2-CG2 3.41Å; F1145-V1149 HydrophobicContact CE1-CG1 4.32Å; F1145-V1149 HydrophobicContact CE1-CG2 4.44Å; F1145-V1149 HydrophobicContact CE2-CG1 4.11Å; F1145-V1149 HydrophobicContact CE2-CG2 3.89Å; F1145-V1149 HydrophobicContact CG-CG2 3.47Å; F1145-V1149 VanDerWaalsContact CG-CG2 3.47Å; F1145-V1149 HydrophobicContact CZ-CG1 4.04Å; F1145-V1149 HydrophobicContact CZ-CG2 4.38Å; E1147-V1149 PolarHBondContact O-N 3.02Å; V1149-I1151 HydrophobicContact CB-CD1 4.44Å; V1149-I1151 HydrophobicContact CG1-CD1 3.66Å; V1149-I1151 WeakPolarHBondContact O-CD1 3.44Å; V1149-I1151 PolarHBondContact O-N 3.1Å; V1149-I1154 HydrophobicContact CG1-CD1 3.97Å |
| 1150 | D | 93.7 | Very high | 90.1 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 17% | 0.171 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 109.4 | 177.8 | -172.2 | -25.3 | 0 | 0 | 0 | 111.4 | L1084 V1148 K1152 L1153 I1154 | L1084-D1150 HydrophobicContact CD2-CB 4.34Å; V1148-D1150 PolarHBondContact O-N 3.41Å; D1150-K1152 VanDerWaalsContact C-N 3.34Å; D1150-K1152 WeakPolarHBondContact OD1-CA 3.39Å; D1150-K1152 VanDerWaalsContact OD1-CB 3.27Å; D1150-K1152 WeakPolarHBondContact OD1-CB 3.37Å; D1150-K1152 PolarHBondContact OD1-N 3.44Å; D1150-L1153 HydrophobicContact CB-CB 4.14Å; D1150-L1153 HydrophobicContact CB-CD1 3.86Å; D1150-L1153 HydrophobicContact CB-CG 4.05Å; D1150-L1153 PolarHBondContact O-N 3.33Å; D1150-L1153 PolarHBondContact OD1-N 3.36Å; D1150-L1153 VanDerWaalsContact OD1-N 3.14Å; D1150-L1153 WeakPolarHBondContact OD2-CD1 3.45Å; D1150-L1153 WeakPolarHBondContact OD2-CG 3.36Å; D1150-I1154 WeakPolarHBondContact O-CG1 3.45Å; D1150-I1154 PolarHBondContact O-N 3.02Å |
| 1151 | I | 94.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.6 | -30.7 | -173.9 | -50.5 | -45.5 | 0 | 0 | 0 | 111.5 | I1083 L1084 I1085 V1126 T1129 M1130 I1133 V1149 I1154 I1155 | I1083-I1151 HydrophobicContact CG2-CD1 3.97Å; I1083-I1151 HydrophobicContact CG2-CG1 3.93Å; L1084-I1151 WeakPolarHBondContact O-CG1 3.37Å; L1084-I1151 PolarHBondContact O-N 3.25Å; L1084-I1151 VanDerWaalsContact O-N 3.11Å; I1085-I1151 HydrophobicContact CG1-CB 4.34Å; I1085-I1151 HydrophobicContact CG1-CG1 3.76Å; V1126-I1151 HydrophobicContact CG1-CG2 4.13Å; V1126-I1151 HydrophobicContact CG2-CG2 4.31Å; T1129-I1151 HydrophobicContact CG2-CG2 3.99Å; M1130-I1151 HydrophobicContact CE-CB 4.28Å; M1130-I1151 HydrophobicContact CE-CD1 3Å; M1130-I1151 HydrophobicContact CE-CG1 3.39Å; M1130-I1151 HydrophobicContact CE-CG2 3.91Å; M1130-I1151 HydrophobicContact SD-CD1 4.43Å; I1133-I1151 HydrophobicContact CD1-CD1 3.99Å; V1149-I1151 HydrophobicContact CB-CD1 4.44Å; V1149-I1151 HydrophobicContact CG1-CD1 3.66Å; V1149-I1151 WeakPolarHBondContact O-CD1 3.44Å; V1149-I1151 PolarHBondContact O-N 3.1Å; I1151-I1154 HydrophobicContact CD1-CD1 4.21Å; I1151-I1154 PolarHBondContact O-N 3Å; I1151-I1155 HydrophobicContact CG2-CD1 4.16Å; I1151-I1155 WeakPolarHBondContact O-CG1 3.47Å; I1151-I1155 PolarHBondContact O-N 3.2Å |
| 1152 | K | 90.8 | Very high | 90.4 | Very high | 85 Ų | 85 | 35 Ų | 35 | 37% | 0.37 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.7 | -48 | 174.5 | 177.8 | -175.6 | 176.7 | 174.9 | 0 | 109.5 | D1150 I1154 I1155 V1156 I1190 | D1150-K1152 VanDerWaalsContact C-N 3.34Å; D1150-K1152 WeakPolarHBondContact OD1-CA 3.39Å; D1150-K1152 VanDerWaalsContact OD1-CB 3.27Å; D1150-K1152 WeakPolarHBondContact OD1-CB 3.37Å; D1150-K1152 PolarHBondContact OD1-N 3.44Å; K1152-I1154 PolarHBondContact O-N 3.47Å; K1152-I1155 PolarHBondContact O-N 3.18Å; K1152-V1156 HydrophobicContact CG-CG2 4.48Å; K1152-V1156 WeakPolarHBondContact O-CG2 3.47Å; K1152-V1156 PolarHBondContact O-N 3.31Å; K1152-I1190 HydrophobicContact CG-CG2 4.23Å |
| 1153 | L | 90.3 | Very high | 90.6 | Very high | 71 Ų | 71 | 36.4 Ų | 36.4 | 37% | 0.372 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.9 | -40.6 | -179.1 | -69.2 | 176.7 | 0 | 0 | 0 | 112.3 | D1150 I1155 V1156 D1157 R1224 | D1150-L1153 HydrophobicContact CB-CB 4.14Å; D1150-L1153 HydrophobicContact CB-CD1 3.86Å; D1150-L1153 HydrophobicContact CB-CG 4.05Å; D1150-L1153 PolarHBondContact O-N 3.33Å; D1150-L1153 PolarHBondContact OD1-N 3.36Å; D1150-L1153 VanDerWaalsContact OD1-N 3.14Å; D1150-L1153 WeakPolarHBondContact OD2-CD1 3.45Å; D1150-L1153 WeakPolarHBondContact OD2-CG 3.36Å; L1153-I1155 VanDerWaalsContact C-N 3.32Å; L1153-I1155 PolarHBondContact O-N 3.36Å; L1153-V1156 PolarHBondContact O-N 3.02Å; L1153-D1157 WeakPolarHBondContact O-CB 3.43Å; L1153-D1157 PolarHBondContact O-N 3.37Å; L1153-R1224 VanDerWaalsContact CB-NH2 3.27Å |
| 1154 | I | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.5 | -44.6 | 176.8 | -69.9 | 168 | 0 | 0 | 0 | 111.3 | T1129 I1133 V1149 D1150 I1151 K1152 A1158 I1217 S1220 V1221 | T1129-I1154 HydrophobicContact CG2-CB 4.25Å; T1129-I1154 HydrophobicContact CG2-CG2 3.58Å; I1133-I1154 HydrophobicContact CD1-CD1 3.73Å; V1149-I1154 HydrophobicContact CG1-CD1 3.97Å; D1150-I1154 WeakPolarHBondContact O-CG1 3.45Å; D1150-I1154 PolarHBondContact O-N 3.02Å; I1151-I1154 HydrophobicContact CD1-CD1 4.21Å; I1151-I1154 PolarHBondContact O-N 3Å; K1152-I1154 PolarHBondContact O-N 3.47Å; I1154-A1158 WeakPolarHBondContact O-CB 3.33Å; I1154-A1158 PolarHBondContact O-N 3.36Å; I1154-I1217 HydrophobicContact CG2-CG2 4.45Å; I1154-S1220 WeakPolarHBondContact CA-OG 3.4Å; I1154-S1220 WeakPolarHBondContact O-CB 3.31Å; I1154-S1220 PolarHBondContact O-OG 3.34Å; I1154-V1221 HydrophobicContact CD1-CG2 4.43Å; I1154-V1221 HydrophobicContact CG2-CG2 3.69Å |
| 1155 | I | 93.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -42.8 | 179.3 | -66.3 | 168.7 | 0 | 0 | 0 | 111 | Y1122 L1125 V1126 T1129 I1151 K1152 L1153 A1158 I1159 | Y1122-I1155 HydrophobicContact CE2-CD1 3.83Å; Y1122-I1155 HydrophobicContact CE2-CG2 4.01Å; L1125-I1155 HydrophobicContact CB-CD1 4.42Å; V1126-I1155 HydrophobicContact CG2-CD1 3.8Å; T1129-I1155 HydrophobicContact CG2-CG1 4.35Å; T1129-I1155 WeakPolarHBondContact OG1-CG1 3.34Å; I1151-I1155 HydrophobicContact CG2-CD1 4.16Å; I1151-I1155 WeakPolarHBondContact O-CG1 3.47Å; I1151-I1155 PolarHBondContact O-N 3.2Å; K1152-I1155 PolarHBondContact O-N 3.18Å; L1153-I1155 VanDerWaalsContact C-N 3.32Å; L1153-I1155 PolarHBondContact O-N 3.36Å; I1155-A1158 WeakPolarHBondContact O-CB 3.15Å; I1155-A1158 PolarHBondContact O-N 3Å; I1155-I1159 HydrophobicContact CG2-CD1 3.85Å; I1155-I1159 HydrophobicContact CG2-CG1 4.38Å; I1155-I1159 WeakPolarHBondContact O-CG1 3.27Å; I1155-I1159 PolarHBondContact O-N 2.93Å |
| 1156 | V | 90.6 | Very high | 90.1 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | K1152 L1153 A1158 I1159 N1160 I1190 | K1152-V1156 HydrophobicContact CG-CG2 4.48Å; K1152-V1156 WeakPolarHBondContact O-CG2 3.47Å; K1152-V1156 PolarHBondContact O-N 3.31Å; L1153-V1156 PolarHBondContact O-N 3.02Å; V1156-A1158 VanDerWaalsContact C-N 3.26Å; V1156-A1158 PolarHBondContact O-N 3.41Å; V1156-I1159 PolarHBondContact O-N 3.28Å; V1156-N1160 WeakPolarHBondContact CG1-ND2 3.03Å; V1156-N1160 WeakPolarHBondContact O-CB 3.21Å; V1156-N1160 VanDerWaalsContact O-CG 3.3Å; V1156-N1160 PolarHBondContact O-N 3.04Å; V1156-N1160 PolarHBondContact O-ND2 3.4Å; V1156-I1190 HydrophobicContact CG2-CG2 3.64Å |
| 1157 | D | 90.7 | Very high | 89.8 | Confident | 60 Ų | 60 | 47.9 Ų | 47.9 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.3 | -38.1 | 176.1 | -72.6 | -23.1 | 0 | 0 | 0 | 111 | L1153 A1161 S1220 R1224 | L1153-D1157 WeakPolarHBondContact O-CB 3.43Å; L1153-D1157 PolarHBondContact O-N 3.37Å; D1157-A1161 WeakPolarHBondContact O-CB 3.43Å; D1157-A1161 PolarHBondContact O-N 3.36Å; D1157-S1220 VanDerWaalsContact CB-OG 3.25Å; D1157-S1220 WeakPolarHBondContact CB-OG 3.46Å; D1157-R1224 IonicContact OD2-CZ 3.93Å; D1157-R1224 IonicContact OD2-NE 3.69Å; D1157-R1224 PolarHBondContact OD2-NE 3.37Å; D1157-R1224 IonicContact OD2-NH2 2.85Å; D1157-R1224 PolarHBondContact OD2-NH2 2.9Å |
| 1158 | A | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -43.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1154 I1155 V1156 N1160 A1161 F1162 F1202 I1217 | I1154-A1158 WeakPolarHBondContact O-CB 3.33Å; I1154-A1158 PolarHBondContact O-N 3.36Å; I1155-A1158 WeakPolarHBondContact O-CB 3.15Å; I1155-A1158 PolarHBondContact O-N 3Å; V1156-A1158 VanDerWaalsContact C-N 3.26Å; V1156-A1158 PolarHBondContact O-N 3.41Å; A1158-N1160 VanDerWaalsContact C-N 3.32Å; A1158-N1160 PolarHBondContact O-N 3.38Å; A1158-A1161 PolarHBondContact O-N 3.35Å; A1158-F1162 PolarHBondContact O-N 3Å; A1158-F1202 HydrophobicContact CB-CZ 4.17Å; A1158-I1217 HydrophobicContact CB-CG1 4.08Å |
| 1159 | I | 91 | Very high | 87.1 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 175.7 | -68.3 | 168.2 | 0 | 0 | 0 | 110.4 | I1155 V1156 A1161 F1162 K1163 I1198 Y1199 F1202 | I1155-I1159 HydrophobicContact CG2-CD1 3.85Å; I1155-I1159 HydrophobicContact CG2-CG1 4.38Å; I1155-I1159 WeakPolarHBondContact O-CG1 3.27Å; I1155-I1159 PolarHBondContact O-N 2.93Å; V1156-I1159 PolarHBondContact O-N 3.28Å; I1159-A1161 VanDerWaalsContact C-N 3.35Å; I1159-A1161 PolarHBondContact O-N 3.06Å; I1159-F1162 WeakPolarHBondContact O-CB 3.49Å; I1159-F1162 PolarHBondContact O-N 3.12Å; I1159-K1163 WeakPolarHBondContact O-CB 3.42Å; I1159-K1163 PolarHBondContact O-N 3.39Å; I1159-I1198 HydrophobicContact CG2-CG2 4.03Å; I1159-Y1199 HydrophobicContact CD1-CD2 4.12Å; I1159-F1202 HydrophobicContact CD1-CD1 4.27Å; I1159-F1202 HydrophobicContact CG1-CB 4.46Å; I1159-F1202 HydrophobicContact CG1-CD1 3.64Å; I1159-F1202 HydrophobicContact CG1-CD2 4.33Å; I1159-F1202 HydrophobicContact CG1-CE1 3.83Å; I1159-F1202 HydrophobicContact CG1-CE2 4.49Å; I1159-F1202 HydrophobicContact CG1-CG 3.9Å; I1159-F1202 HydrophobicContact CG1-CZ 4.25Å |
| 1160 | N | 89.1 | Confident | 85.1 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 32% | 0.316 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 176.1 | -75.3 | -32.2 | 0 | 0 | 0 | 112.3 | V1156 A1158 R1164 | V1156-N1160 WeakPolarHBondContact CG1-ND2 3.03Å; V1156-N1160 WeakPolarHBondContact O-CB 3.21Å; V1156-N1160 VanDerWaalsContact O-CG 3.3Å; V1156-N1160 PolarHBondContact O-N 3.04Å; V1156-N1160 PolarHBondContact O-ND2 3.4Å; A1158-N1160 VanDerWaalsContact C-N 3.32Å; A1158-N1160 PolarHBondContact O-N 3.38Å; N1160-R1164 WeakPolarHBondContact O-CG 3.49Å; N1160-R1164 PolarHBondContact O-N 2.97Å; N1160-R1164 VanDerWaalsContact O-N 3.1Å; N1160-R1164 PolarHBondContact O-NE 3.46Å |
| 1161 | A | 88.7 | Confident | 82.7 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1157 A1158 I1159 R1164 D1165 Y1216 | D1157-A1161 WeakPolarHBondContact O-CB 3.43Å; D1157-A1161 PolarHBondContact O-N 3.36Å; A1158-A1161 PolarHBondContact O-N 3.35Å; I1159-A1161 VanDerWaalsContact C-N 3.35Å; I1159-A1161 PolarHBondContact O-N 3.06Å; A1161-R1164 PolarHBondContact O-N 2.88Å; A1161-D1165 PolarHBondContact O-N 3.34Å; A1161-D1165 VanDerWaalsContact O-N 3.08Å; A1161-Y1216 HydrophobicContact CB-CD1 3.84Å |
| 1162 | F | 90.5 | Very high | 80.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 175.9 | 179.2 | -90.3 | 0 | 0 | 0 | 112.6 | A1158 I1159 R1164 D1165 R1166 I1198 E1201 F1202 T1205 Y1216 | A1158-F1162 PolarHBondContact O-N 3Å; I1159-F1162 WeakPolarHBondContact O-CB 3.49Å; I1159-F1162 PolarHBondContact O-N 3.12Å; F1162-R1164 PolarHBondContact O-N 2.94Å; F1162-D1165 PolarHBondContact O-N 2.95Å; F1162-R1166 HydrophobicContact CE2-CG 4.3Å; F1162-R1166 VanDerWaalsContact CE2-CZ 3.47Å; F1162-R1166 HydrophobicContact CZ-CG 4.27Å; F1162-R1166 PolarHBondContact O-N 3.17Å; F1162-I1198 HydrophobicContact CD1-CG2 4.5Å; F1162-E1201 HydrophobicContact CE1-CB 4.39Å; F1162-E1201 HydrophobicContact CE1-CG 4.16Å; F1162-E1201 HydrophobicContact CZ-CG 4.1Å; F1162-F1202 HydrophobicContact CB-CD2 3.67Å; F1162-F1202 HydrophobicContact CB-CE2 3.85Å; F1162-F1202 HydrophobicContact CD1-CB 4.39Å; F1162-F1202 AromaticContact CD1-CD2 3.98Å; F1162-F1202 HydrophobicContact CD1-CD2 3.98Å; F1162-F1202 AromaticContact CD2-CD2 3.63Å; F1162-F1202 HydrophobicContact CD2-CD2 3.63Å; F1162-F1202 HydrophobicContact CD2-CE2 4.09Å; F1162-F1202 HydrophobicContact CE1-CB 4.42Å; F1162-F1202 HydrophobicContact CE2-CD2 4.19Å; F1162-F1202 AromaticContact CG-CD2 3.51Å; F1162-F1202 HydrophobicContact CG-CD2 3.51Å; F1162-F1202 HydrophobicContact CG-CE2 4.1Å; F1162-T1205 HydrophobicContact CE2-CG2 4.29Å; F1162-Y1216 HydrophobicContact CB-CD1 4.19Å; F1162-Y1216 HydrophobicContact CB-CD2 4.29Å; F1162-Y1216 HydrophobicContact CB-CE1 4.2Å; F1162-Y1216 HydrophobicContact CB-CE2 4.32Å; F1162-Y1216 HydrophobicContact CB-CG 4.22Å; F1162-Y1216 AromaticContact CD2-CD2 3.87Å; F1162-Y1216 HydrophobicContact CD2-CD2 3.87Å; F1162-Y1216 AromaticContact CD2-CE2 3.45Å; F1162-Y1216 HydrophobicContact CD2-CE2 3.45Å; F1162-Y1216 VanDerWaalsContact CD2-CE2 3.45Å; F1162-Y1216 AromaticContact CD2-CZ 3.85Å; F1162-Y1216 HydrophobicContact CE2-CE2 4.26Å; F1162-Y1216 HydrophobicContact CG-CE2 4.35Å |
| 1163 | K | 87.9 | Confident | 78 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 32% | 0.317 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 176.3 | -177.7 | -178.4 | -173.6 | 170.4 | 0 | 111.3 | I1159 D1165 H1167 I1198 | I1159-K1163 WeakPolarHBondContact O-CB 3.42Å; I1159-K1163 PolarHBondContact O-N 3.39Å; K1163-D1165 VanDerWaalsContact C-N 3.32Å; K1163-D1165 PolarHBondContact O-N 3.27Å; K1163-H1167 CarbonylContact O-C 3.45Å; K1163-H1167 WeakPolarHBondContact O-CA 3.33Å; K1163-H1167 WeakPolarHBondContact O-CB 3.31Å; K1163-H1167 PolarHBondContact O-N 2.84Å; K1163-I1198 HydrophobicContact CB-CG2 4.2Å; K1163-I1198 HydrophobicContact CD-CD1 3.65Å; K1163-I1198 VanDerWaalsContact CE-CD1 3.46Å; K1163-I1198 HydrophobicContact CG-CD1 3.87Å |
| 1164 | R | 86 | Confident | 75.7 | Confident | 170 Ų | 170 | 68 Ų | 68 | 64% | 0.642 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 178.8 | -76.7 | -174.7 | -66.7 | 176.7 | -0.8 | 112.6 | N1160 A1161 F1162 | N1160-R1164 WeakPolarHBondContact O-CG 3.49Å; N1160-R1164 PolarHBondContact O-N 2.97Å; N1160-R1164 VanDerWaalsContact O-N 3.1Å; N1160-R1164 PolarHBondContact O-NE 3.46Å; A1161-R1164 PolarHBondContact O-N 2.88Å; F1162-R1164 PolarHBondContact O-N 2.94Å |
| 1165 | D | 86.1 | Confident | 73.4 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -80.3 | -34.5 | -175.4 | -71.6 | -1.8 | 0 | 0 | 0 | 112.6 | A1161 F1162 K1163 M1211 Y1216 | A1161-D1165 PolarHBondContact O-N 3.34Å; A1161-D1165 VanDerWaalsContact O-N 3.08Å; F1162-D1165 PolarHBondContact O-N 2.95Å; K1163-D1165 VanDerWaalsContact C-N 3.32Å; K1163-D1165 PolarHBondContact O-N 3.27Å; D1165-M1211 HydrophobicContact CB-CE 4.13Å; D1165-Y1216 HydrophobicContact CB-CE1 4.15Å; D1165-Y1216 WeakPolarHBondContact OD2-CE1 3.37Å |
| 1166 | R | 82.1 | Confident | 71.1 | Confident | 64 Ų | 64 | 78.2 Ų | 78.2 | 24% | 0.242 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -98 | -28.9 | -178 | -67.6 | -150.8 | -179.4 | 171.4 | 5.2 | 115.4 | F1162 P1168 E1201 M1211 | F1162-R1166 HydrophobicContact CE2-CG 4.3Å; F1162-R1166 VanDerWaalsContact CE2-CZ 3.47Å; F1162-R1166 HydrophobicContact CZ-CG 4.27Å; F1162-R1166 PolarHBondContact O-N 3.17Å; R1166-P1168 WeakPolarHBondContact O-CD 3.26Å; R1166-E1201 IonicContact NH1-OE1 3.54Å; R1166-M1211 PolarHBondContact NH2-O 3.28Å |
| 1167 | H | 78.2 | Confident | 68.7 | Low | 50 Ų | 50 | 81.8 Ų | 81.8 | 23% | 0.231 | 44% | 0.435 | C | S | . | . | trans | -125.2 | 58.7 | -175.9 | -66.2 | -72.1 | 0 | 0 | 0 | 112.2 | K1163 N1169 M1170 E1201 | K1163-H1167 CarbonylContact O-C 3.45Å; K1163-H1167 WeakPolarHBondContact O-CA 3.33Å; K1163-H1167 WeakPolarHBondContact O-CB 3.31Å; K1163-H1167 PolarHBondContact O-N 2.84Å; H1167-N1169 PolarHBondContact O-N 2.81Å; H1167-N1169 VanDerWaalsContact O-N 3.17Å; H1167-M1170 HydrophobicContact CB-CB 4.03Å; H1167-M1170 HydrophobicContact CB-CG 3.85Å; H1167-M1170 HydrophobicContact CB-SD 3.8Å; H1167-E1201 IonicContact CD2-OE2 2.58Å; H1167-E1201 IonicContact CE1-OE2 3.63Å; H1167-E1201 IonicContact NE2-OE1 3.28Å; H1167-E1201 IonicContact NE2-OE2 3.24Å; H1167-E1201 PolarHBondContact NE2-OE2 2.92Å | ||
| 1168 | P | 65.3 | Low | 66.7 | Low | 97 Ų | 97 | 84.6 Ų | 84.6 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.5 | -178.9 | 25.6 | -33 | 0 | 0 | 0 | 113.5 | R1166 | R1166-P1168 WeakPolarHBondContact O-CD 3.26Š|
| 1169 | N | 58.8 | Low | 64.7 | Low | 150 Ų | 150 | 87.2 Ų | 87.2 | 80% | 0.802 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130 | 34.9 | -173.8 | -64.6 | -15.4 | 0 | 0 | 0 | 114.1 | H1167 S1171 | H1167-N1169 PolarHBondContact O-N 2.81Å; H1167-N1169 VanDerWaalsContact O-N 3.17Å; N1169-S1171 PolarHBondContact O-N 3.3Å; N1169-S1171 VanDerWaalsContact O-N 3.11Å |
| 1170 | M | 51.4 | Low | 63 | Low | 75 Ų | 75 | 92.9 Ų | 92.9 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | trans | -67.5 | 111.4 | -166.7 | -133.1 | -175.9 | 170.3 | 0 | 0 | 114.7 | H1167 I1198 | H1167-M1170 HydrophobicContact CB-CB 4.03Å; H1167-M1170 HydrophobicContact CB-CG 3.85Å; H1167-M1170 HydrophobicContact CB-SD 3.8Å; M1170-I1198 HydrophobicContact SD-CD1 4.23Å; M1170-I1198 HydrophobicContact SD-CG1 4.31Å | ||
| 1171 | S | 43 | Very low | 61.7 | Low | 96 Ų | 96 | 91.5 Ų | 91.5 | 67% | 0.671 | 48% | 0.479 | S | S | * | . | trans | -88.9 | 132.8 | 147.2 | 53 | 0 | 0 | 0 | 0 | 108.5 | N1169 D1173 | N1169-S1171 PolarHBondContact O-N 3.3Å; N1169-S1171 VanDerWaalsContact O-N 3.11Å; S1171-D1173 PolarHBondContact O-N 3.4Å | ||
| 1172 | T | 44.8 | Very low | 60.6 | Low | 112 Ų | 112 | 92.4 Ų | 92.4 | 69% | 0.687 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 23.7 | -163.7 | 37.2 | 0 | 0 | 0 | 0 | 117.7 | ||
| 1173 | D | 41.9 | Very low | 59 | Low | 135 Ų | 135 | 101.6 Ų | 101.6 | 72% | 0.722 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 2.2 | -167.4 | -69.4 | -17.7 | 0 | 0 | 0 | 116.5 | S1171 | S1171-D1173 PolarHBondContact O-N 3.4Š|
| 1174 | N | 42.2 | Very low | 57.8 | Low | 153 Ų | 153 | 100.8 Ų | 100.8 | 82% | 0.818 | 53% | 0.529 | S | S | * | . | trans | -108 | 80.5 | 174.2 | -74 | -19.8 | 0 | 0 | 0 | 111.1 | ||||
| 1175 | I | 46.5 | Very low | 57.2 | Low | 133 Ų | 133 | 93 Ų | 93 | 68% | 0.682 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 128.5 | 171.4 | -60.3 | 173.2 | 0 | 0 | 0 | 108.2 | ||
| 1176 | L | 46.1 | Very low | 56.5 | Low | 82 Ų | 82 | 91.5 Ų | 91.5 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 132.8 | 172.4 | -94.6 | 118.3 | 0 | 0 | 0 | 110.4 | H1178 E1201 | L1176-H1178 PolarHBondContact O-N 3.1Å; L1176-E1201 HydrophobicContact CD1-CB 4.15Å; L1176-E1201 HydrophobicContact CD1-CG 4.01Å |
| 1177 | P | 39.3 | Very low | 55.8 | Low | 111 Ų | 111 | 93.3 Ų | 93.3 | 72% | 0.721 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 120.6 | 179.5 | 26.1 | -29.6 | 0 | 0 | 0 | 110.5 | V1179 | P1177-V1179 PolarHBondContact O-N 2.72Š|
| 1178 | H | 47.9 | Very low | 55.2 | Low | 119 Ų | 119 | 91.3 Ų | 91.3 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 54.2 | 160.5 | -62.6 | -60.9 | 0 | 0 | 0 | 119 | F905 L1176 | F905-H1178 AromaticContact CZ-CD2 3.91Å; F905-H1178 AromaticContact CZ-NE2 3.56Å; L1176-H1178 PolarHBondContact O-N 3.1Å |
| 1179 | V | 52 | Low | 55 | Low | 55 Ų | 55 | 92.5 Ų | 92.5 | 33% | 0.333 | 50% | 0.499 | S | S | . | . | trans | -119.4 | 72.9 | 156.8 | -167.2 | 0 | 0 | 0 | 0 | 109.2 | L1052 P1177 | L1052-V1179 HydrophobicContact CD2-CG1 3.42Å; L1052-V1179 VanDerWaalsContact CD2-CG1 3.42Å; P1177-V1179 PolarHBondContact O-N 2.72Å | ||
| 1180 | E | 55.1 | Low | 55.1 | Low | 131 Ų | 131 | 86.7 Ų | 86.7 | 61% | 0.612 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -78 | 130.1 | -179.1 | -74.5 | 179.2 | 160.8 | 0 | 0 | 111.1 | R909 | R909-E1180 IonicContact NH2-OE2 3.67Å; R909-E1180 PolarHBondContact NH2-OE2 3.19Å |
| 1181 | R | 62.4 | Low | 55.8 | Low | 31 Ų | 31 | 84.3 Ų | 84.3 | 12% | 0.117 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 139.2 | 161.9 | -165.2 | -167 | -144.9 | -154.5 | 2.8 | 109.3 | D1119 M1183 W1185 S1186 E1187 P1188 L1200 | D1119-R1181 IonicContact OD1-NH2 3.46Å; D1119-R1181 IonicContact OD2-CZ 3.29Å; D1119-R1181 IonicContact OD2-NE 2.64Å; D1119-R1181 IonicContact OD2-NH2 3.52Å; D1119-R1181 PolarHBondContact OD2-NH2 3.43Å; R1181-M1183 PolarHBondContact O-N 3.32Å; R1181-W1185 HydrophobicContact CG-CE3 3.89Å; R1181-W1185 PolarHBondContact NH1-O 3.49Å; R1181-W1185 VanDerWaalsContact NH1-O 3.13Å; R1181-S1186 PolarHBondContact NH1-O 3.24Å; R1181-S1186 PolarHBondContact NH2-O 2.81Å; R1181-E1187 VanDerWaalsContact NH1-N 3.14Å; R1181-P1188 VanDerWaalsContact NH2-CD 3.27Å; R1181-L1200 HydrophobicContact CB-CD2 4.38Å |
| 1182 | R | 64.4 | Low | 56.9 | Low | 25 Ų | 25 | 82.8 Ų | 82.8 | 9% | 0.094 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 126.8 | 176.6 | -171.7 | 179.6 | -100 | -157.5 | -6.6 | 109.7 | E874 K877 E881 S928 S1184 W1185 | E874-R1182 IonicContact OE1-NH1 3.01Å; E874-R1182 IonicContact OE2-CZ 3.3Å; E874-R1182 IonicContact OE2-NH1 3.38Å; E874-R1182 PolarHBondContact OE2-NH1 3.12Å; K877-R1182 VanDerWaalsContact CD-NH1 3.28Å; E881-R1182 IonicContact OE1-CZ 2.87Å; E881-R1182 IonicContact OE1-NE 3.78Å; E881-R1182 IonicContact OE1-NH2 3.74Å; E881-R1182 PolarHBondContact OE1-NH2 2.99Å; E881-R1182 IonicContact OE2-CZ 2.73Å; E881-R1182 IonicContact OE2-NE 2.72Å; E881-R1182 IonicContact OE2-NH2 3.5Å; E881-R1182 PolarHBondContact OE2-NH2 3.36Å; S928-R1182 PolarHBondContact OG-NH2 2.97Å; R1182-S1184 VanDerWaalsContact CD-OG 3.24Å; R1182-S1184 WeakPolarHBondContact CD-OG 3.34Å; R1182-S1184 WeakPolarHBondContact CG-OG 3.47Å; R1182-S1184 PolarHBondContact O-N 3.04Å; R1182-W1185 HydrophobicContact CB-CD2 3.96Å; R1182-W1185 HydrophobicContact CB-CE3 4.31Å; R1182-W1185 HydrophobicContact CB-CG 4.28Å; R1182-W1185 HydrophobicContact CB-CZ2 4.25Å; R1182-W1185 PolarHBondContact O-N 3.3Å |
| 1183 | M | 57.1 | Low | 57.9 | Low | 192 Ų | 192 | 81.6 Ų | 81.6 | 95% | 0.946 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.2 | -178.2 | -71 | -173.3 | 92.6 | 0 | 0 | 113.3 | R1181 W1185 | R1181-M1183 PolarHBondContact O-N 3.32Å; M1183-W1185 VanDerWaalsContact C-N 3.27Å; M1183-W1185 PolarHBondContact O-N 3.39Å |
| 1184 | S | 62.8 | Low | 59.3 | Low | 56 Ų | 56 | 79.3 Ų | 79.3 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.8 | 177.7 | 62.1 | 0 | 0 | 0 | 0 | 112.7 | Q809 R1182 | Q809-S1184 VanDerWaalsContact NE2-C 3.35Å; Q809-S1184 PolarHBondContact NE2-O 3.45Å; Q809-S1184 PolarHBondContact OE1-O 3.42Å; R1182-S1184 VanDerWaalsContact CD-OG 3.24Å; R1182-S1184 WeakPolarHBondContact CD-OG 3.34Å; R1182-S1184 WeakPolarHBondContact CG-OG 3.47Å; R1182-S1184 PolarHBondContact O-N 3.04Å |
| 1185 | W | 74.2 | Confident | 60.7 | Low | 8 Ų | 8 | 74.8 Ų | 74.8 | 3% | 0.03 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -81.8 | 123.6 | -174.9 | -59.3 | -11.3 | 0 | 0 | 0 | 113.1 | Q809 E874 L878 Q1056 P1120 R1181 R1182 M1183 E1187 | Q809-W1185 VanDerWaalsContact NE2-CA 3.33Å; E874-W1185 PolarHBondContact OE2-NE1 3.03Å; L878-W1185 HydrophobicContact CD1-CH2 3.57Å; L878-W1185 HydrophobicContact CD1-CZ2 3.62Å; L878-W1185 HydrophobicContact CD2-CH2 3.53Å; L878-W1185 HydrophobicContact CD2-CZ2 3.67Å; L878-W1185 HydrophobicContact CG-CH2 4.01Å; L878-W1185 HydrophobicContact CG-CZ2 3.86Å; Q1056-W1185 HydrophobicContact CB-CH2 3.95Å; Q1056-W1185 HydrophobicContact CB-CZ3 4.25Å; Q1056-W1185 VanDerWaalsContact CD-CZ3 3.43Å; Q1056-W1185 HydrophobicContact CG-CH2 3.88Å; Q1056-W1185 HydrophobicContact CG-CZ3 3.68Å; P1120-W1185 HydrophobicContact CG-CD2 4.36Å; P1120-W1185 HydrophobicContact CG-CE3 4.41Å; P1120-W1185 HydrophobicContact CG-CH2 4.3Å; P1120-W1185 HydrophobicContact CG-CZ2 4.22Å; P1120-W1185 HydrophobicContact CG-CZ3 4.38Å; R1181-W1185 HydrophobicContact CG-CE3 3.89Å; R1181-W1185 PolarHBondContact NH1-O 3.49Å; R1181-W1185 VanDerWaalsContact NH1-O 3.13Å; R1182-W1185 HydrophobicContact CB-CD2 3.96Å; R1182-W1185 HydrophobicContact CB-CE3 4.31Å; R1182-W1185 HydrophobicContact CB-CG 4.28Å; R1182-W1185 HydrophobicContact CB-CZ2 4.25Å; R1182-W1185 PolarHBondContact O-N 3.3Å; M1183-W1185 VanDerWaalsContact C-N 3.27Å; M1183-W1185 PolarHBondContact O-N 3.39Å; W1185-E1187 PolarHBondContact O-N 3.22Å |
| 1186 | S | 71.2 | Confident | 62.2 | Low | 46 Ų | 46 | 70.2 Ų | 70.2 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | trans | -53 | 131.1 | 177.9 | 44.8 | 0 | 0 | 0 | 0 | 112 | C1118 R1181 | C1118-S1186 WeakPolarHBondContact CB-OG 3.33Å; R1181-S1186 PolarHBondContact NH1-O 3.24Å; R1181-S1186 PolarHBondContact NH2-O 2.81Å | ||
| 1187 | E | 67.1 | Low | 63.8 | Low | 103 Ų | 103 | 69 Ų | 69 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | trans | -42.2 | 134.4 | 169.4 | -76.2 | -165.4 | 163.7 | 0 | 0 | 110.5 | R1181 W1185 D1189 | R1181-E1187 VanDerWaalsContact NH1-N 3.14Å; W1185-E1187 PolarHBondContact O-N 3.22Å; E1187-D1189 PolarHBondContact O-N 2.87Å; E1187-D1189 VanDerWaalsContact O-N 3.14Å | ||
| 1188 | P | 65.5 | Low | 66 | Low | 8 Ų | 8 | 64.1 Ų | 64.1 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | trans | -63.2 | 124.4 | 177 | 26.4 | -23.5 | 0 | 0 | 0 | 106.4 | R1181 I1190 L1191 L1196 Y1199 | R1181-P1188 VanDerWaalsContact NH2-CD 3.27Å; P1188-I1190 HydrophobicContact CB-CD1 4.46Å; P1188-I1190 PolarHBondContact O-N 2.86Å; P1188-L1191 HydrophobicContact CG-CD1 4.09Å; P1188-L1191 PolarHBondContact O-N 3.49Å; P1188-L1196 HydrophobicContact CG-CD1 4.49Å; P1188-Y1199 HydrophobicContact CG-CD1 4.32Å; P1188-Y1199 HydrophobicContact CG-CE1 4.17Å | ||
| 1189 | D | 61.6 | Low | 67.8 | Low | 121 Ų | 121 | 58.6 Ų | 58.6 | 65% | 0.647 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 9.9 | -178.6 | -67.5 | -22.7 | 0 | 0 | 0 | 114.5 | Y1086 E1187 | Y1086-D1189 VanDerWaalsContact OH-CG 3.29Å; Y1086-D1189 PolarHBondContact OH-OD2 3.29Å; E1187-D1189 PolarHBondContact O-N 2.87Å; E1187-D1189 VanDerWaalsContact O-N 3.14Å |
| 1190 | I | 61.6 | Low | 69.3 | Low | 28 Ų | 28 | 57.8 Ų | 57.8 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -22.1 | -164.2 | -51.9 | 166.3 | 0 | 0 | 0 | 110.4 | Y1122 K1152 V1156 P1188 | Y1122-I1190 HydrophobicContact CD1-CD1 4.01Å; Y1122-I1190 HydrophobicContact CD2-CD1 3.76Å; Y1122-I1190 HydrophobicContact CE1-CD1 3.53Å; Y1122-I1190 HydrophobicContact CE2-CD1 3.23Å; Y1122-I1190 HydrophobicContact CG-CD1 4.13Å; Y1122-I1190 WeakPolarHBondContact OH-CD1 3.35Å; K1152-I1190 HydrophobicContact CG-CG2 4.23Å; V1156-I1190 HydrophobicContact CG2-CG2 3.64Å; P1188-I1190 HydrophobicContact CB-CD1 4.46Å; P1188-I1190 PolarHBondContact O-N 2.86Å |
| 1191 | L | 64.7 | Low | 70.8 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 13% | 0.131 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -132.2 | 135.9 | -165.6 | -64.1 | 169.3 | 0 | 0 | 0 | 110.9 | P1188 E1195 Y1199 | P1188-L1191 HydrophobicContact CG-CD1 4.09Å; P1188-L1191 PolarHBondContact O-N 3.49Å; L1191-E1195 HydrophobicContact CB-CB 4.13Å; L1191-E1195 HydrophobicContact CD2-CB 3.87Å; L1191-E1195 WeakPolarHBondContact CD2-OE2 3.41Å; L1191-E1195 HydrophobicContact CG-CB 4.49Å; L1191-Y1199 HydrophobicContact CD1-CD1 4.19Å; L1191-Y1199 HydrophobicContact CD1-CD2 3.79Å; L1191-Y1199 HydrophobicContact CD1-CG 3.49Å; L1191-Y1199 VanDerWaalsContact CD1-CG 3.49Å |
| 1192 | S | 66.7 | Low | 72.1 | Confident | 64 Ų | 64 | 51.6 Ų | 51.6 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | trans | -68.2 | 156.9 | 167.5 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | S1194 E1195 | S1192-S1194 PolarHBondContact O-N 3.47Å; S1192-S1194 PolarHBondContact OG-OG 3.33Å; S1192-E1195 PolarHBondContact O-N 2.67Å | ||
| 1193 | S | 66.7 | Low | 73.3 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -25.8 | -179.9 | -40.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1194 | S | 69.9 | Low | 74.7 | Confident | 87 Ų | 87 | 41.6 Ų | 41.6 | 61% | 0.608 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -20.2 | 174.6 | 55.6 | 0 | 0 | 0 | 0 | 115.5 | S1192 | S1192-S1194 PolarHBondContact O-N 3.47Å; S1192-S1194 PolarHBondContact OG-OG 3.33Å |
| 1195 | E | 72.7 | Confident | 75.9 | Confident | 58 Ų | 58 | 39.4 Ų | 39.4 | 27% | 0.271 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -10.4 | -177.9 | -61.9 | -173.3 | 137.6 | 0 | 0 | 112.9 | L1191 S1192 P1197 I1198 Y1199 | L1191-E1195 HydrophobicContact CB-CB 4.13Å; L1191-E1195 HydrophobicContact CD2-CB 3.87Å; L1191-E1195 WeakPolarHBondContact CD2-OE2 3.41Å; L1191-E1195 HydrophobicContact CG-CB 4.49Å; S1192-E1195 PolarHBondContact O-N 2.67Å; E1195-P1197 VanDerWaalsContact C-CD 3.42Å; E1195-I1198 PolarHBondContact O-N 3.2Å; E1195-Y1199 PolarHBondContact O-N 2.98Å; E1195-Y1199 VanDerWaalsContact O-N 3.12Å |
| 1196 | L | 76.3 | Confident | 76.4 | Confident | 38 Ų | 38 | 41 Ų | 41 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.7 | -41.2 | 178.2 | -170.7 | 68.4 | 0 | 0 | 0 | 113.8 | P1188 I1198 Y1199 L1200 | P1188-L1196 HydrophobicContact CG-CD1 4.49Å; L1196-I1198 PolarHBondContact O-N 3.43Å; L1196-Y1199 HydrophobicContact CD1-CD1 4.33Å; L1196-Y1199 PolarHBondContact O-N 2.62Å; L1196-L1200 HydrophobicContact CG-CD1 4.22Å; L1196-L1200 WeakPolarHBondContact O-CG 3.37Å; L1196-L1200 PolarHBondContact O-N 3.08Å |
| 1197 | P | 80.5 | Confident | 76.9 | Confident | 57 Ų | 57 | 39.1 Ų | 39.1 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63 | -40.3 | 178.7 | -22.8 | 34.5 | 0 | 0 | 0 | 113.1 | E1195 Y1199 L1200 E1201 | E1195-P1197 VanDerWaalsContact C-CD 3.42Å; P1197-Y1199 VanDerWaalsContact C-N 3.35Å; P1197-L1200 PolarHBondContact O-N 3.28Å; P1197-E1201 PolarHBondContact O-N 3.01Å |
| 1198 | I | 84.7 | Confident | 77.3 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.9 | -38.8 | -179.9 | -64.6 | 163.6 | 0 | 0 | 0 | 110.1 | I1159 F1162 K1163 M1170 E1195 L1196 E1201 F1202 | I1159-I1198 HydrophobicContact CG2-CG2 4.03Å; F1162-I1198 HydrophobicContact CD1-CG2 4.5Å; K1163-I1198 HydrophobicContact CB-CG2 4.2Å; K1163-I1198 HydrophobicContact CD-CD1 3.65Å; K1163-I1198 VanDerWaalsContact CE-CD1 3.46Å; K1163-I1198 HydrophobicContact CG-CD1 3.87Å; M1170-I1198 HydrophobicContact SD-CD1 4.23Å; M1170-I1198 HydrophobicContact SD-CG1 4.31Å; E1195-I1198 PolarHBondContact O-N 3.2Å; L1196-I1198 PolarHBondContact O-N 3.43Å; I1198-E1201 PolarHBondContact O-N 3.34Å; I1198-F1202 WeakPolarHBondContact O-CB 3.13Å; I1198-F1202 PolarHBondContact O-N 3.3Å |
| 1199 | Y | 86.9 | Confident | 77.8 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 174.2 | 168.8 | -105 | 0 | 0 | 0 | 112.8 | D1119 Y1122 L1125 I1159 P1188 L1191 E1195 L1196 P1197 E1201 F1202 T1203 | D1119-Y1199 WeakPolarHBondContact OD2-CE1 3.3Å; D1119-Y1199 PolarHBondContact OD2-OH 3Å; Y1122-Y1199 WeakPolarHBondContact CB-OH 3.25Å; Y1122-Y1199 HydrophobicContact CD2-CE2 4.34Å; Y1122-Y1199 PolarHBondContact N-OH 3.45Å; L1125-Y1199 HydrophobicContact CD1-CE2 4.14Å; I1159-Y1199 HydrophobicContact CD1-CD2 4.12Å; P1188-Y1199 HydrophobicContact CG-CD1 4.32Å; P1188-Y1199 HydrophobicContact CG-CE1 4.17Å; L1191-Y1199 HydrophobicContact CD1-CD1 4.19Å; L1191-Y1199 HydrophobicContact CD1-CD2 3.79Å; L1191-Y1199 HydrophobicContact CD1-CG 3.49Å; L1191-Y1199 VanDerWaalsContact CD1-CG 3.49Å; E1195-Y1199 PolarHBondContact O-N 2.98Å; E1195-Y1199 VanDerWaalsContact O-N 3.12Å; L1196-Y1199 HydrophobicContact CD1-CD1 4.33Å; L1196-Y1199 PolarHBondContact O-N 2.62Å; P1197-Y1199 VanDerWaalsContact C-N 3.35Å; Y1199-E1201 VanDerWaalsContact C-N 3.3Å; Y1199-E1201 PolarHBondContact O-N 3.1Å; Y1199-F1202 PolarHBondContact O-N 3.14Å; Y1199-T1203 HydrophobicContact CD2-CG2 3.99Å; Y1199-T1203 HydrophobicContact CE1-CG2 4.16Å; Y1199-T1203 HydrophobicContact CE2-CG2 3.42Å; Y1199-T1203 VanDerWaalsContact CE2-CG2 3.42Å; Y1199-T1203 WeakPolarHBondContact O-CB 3.41Å; Y1199-T1203 WeakPolarHBondContact O-CG2 3.4Å; Y1199-T1203 PolarHBondContact O-N 3.45Å; Y1199-T1203 PolarHBondContact O-OG1 3.38Å |
| 1200 | L | 83.3 | Confident | 78.4 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.6 | -74 | 167.7 | 0 | 0 | 0 | 111.2 | R1181 L1196 P1197 T1203 S1204 | R1181-L1200 HydrophobicContact CB-CD2 4.38Å; L1196-L1200 HydrophobicContact CG-CD1 4.22Å; L1196-L1200 WeakPolarHBondContact O-CG 3.37Å; L1196-L1200 PolarHBondContact O-N 3.08Å; P1197-L1200 PolarHBondContact O-N 3.28Å; L1200-T1203 WeakPolarHBondContact CA-OG1 3.42Å; L1200-T1203 PolarHBondContact O-OG1 3.36Å; L1200-S1204 VanDerWaalsContact O-CB 3.26Å; L1200-S1204 WeakPolarHBondContact O-CB 3.32Å; L1200-S1204 PolarHBondContact O-N 3.08Å; L1200-S1204 PolarHBondContact O-OG 2.99Å |
| 1201 | E | 87.1 | Confident | 79.4 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 174.8 | -166.9 | -170.7 | 161.1 | 0 | 0 | 112.4 | F1162 R1166 H1167 L1176 P1197 I1198 Y1199 S1204 T1205 | F1162-E1201 HydrophobicContact CE1-CB 4.39Å; F1162-E1201 HydrophobicContact CE1-CG 4.16Å; F1162-E1201 HydrophobicContact CZ-CG 4.1Å; R1166-E1201 IonicContact NH1-OE1 3.54Å; H1167-E1201 IonicContact CD2-OE2 2.58Å; H1167-E1201 IonicContact CE1-OE2 3.63Å; H1167-E1201 IonicContact NE2-OE1 3.28Å; H1167-E1201 IonicContact NE2-OE2 3.24Å; H1167-E1201 PolarHBondContact NE2-OE2 2.92Å; L1176-E1201 HydrophobicContact CD1-CB 4.15Å; L1176-E1201 HydrophobicContact CD1-CG 4.01Å; P1197-E1201 PolarHBondContact O-N 3.01Å; I1198-E1201 PolarHBondContact O-N 3.34Å; Y1199-E1201 VanDerWaalsContact C-N 3.3Å; Y1199-E1201 PolarHBondContact O-N 3.1Å; E1201-S1204 CarbonylContact O-C 3.49Å; E1201-S1204 PolarHBondContact O-N 2.91Å; E1201-T1205 PolarHBondContact O-N 3.02Å; E1201-T1205 VanDerWaalsContact O-N 3.14Å; E1201-T1205 PolarHBondContact O-OG1 3.45Å |
| 1202 | F | 89.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 177.6 | -173.5 | -104.7 | 0 | 0 | 0 | 111.2 | L1125 A1158 I1159 F1162 I1198 Y1199 S1204 T1205 T1213 Y1216 | L1125-F1202 HydrophobicContact CD1-CD1 4.12Å; L1125-F1202 HydrophobicContact CD1-CE1 4.21Å; L1125-F1202 HydrophobicContact CD2-CD1 4.47Å; L1125-F1202 HydrophobicContact CD2-CE1 4.02Å; A1158-F1202 HydrophobicContact CB-CZ 4.17Å; I1159-F1202 HydrophobicContact CD1-CD1 4.27Å; I1159-F1202 HydrophobicContact CG1-CB 4.46Å; I1159-F1202 HydrophobicContact CG1-CD1 3.64Å; I1159-F1202 HydrophobicContact CG1-CD2 4.33Å; I1159-F1202 HydrophobicContact CG1-CE1 3.83Å; I1159-F1202 HydrophobicContact CG1-CE2 4.49Å; I1159-F1202 HydrophobicContact CG1-CG 3.9Å; I1159-F1202 HydrophobicContact CG1-CZ 4.25Å; F1162-F1202 HydrophobicContact CB-CD2 3.67Å; F1162-F1202 HydrophobicContact CB-CE2 3.85Å; F1162-F1202 HydrophobicContact CD1-CB 4.39Å; F1162-F1202 AromaticContact CD1-CD2 3.98Å; F1162-F1202 HydrophobicContact CD1-CD2 3.98Å; F1162-F1202 AromaticContact CD2-CD2 3.63Å; F1162-F1202 HydrophobicContact CD2-CD2 3.63Å; F1162-F1202 HydrophobicContact CD2-CE2 4.09Å; F1162-F1202 HydrophobicContact CE1-CB 4.42Å; F1162-F1202 HydrophobicContact CE2-CD2 4.19Å; F1162-F1202 AromaticContact CG-CD2 3.51Å; F1162-F1202 HydrophobicContact CG-CD2 3.51Å; F1162-F1202 HydrophobicContact CG-CE2 4.1Å; I1198-F1202 WeakPolarHBondContact O-CB 3.13Å; I1198-F1202 PolarHBondContact O-N 3.3Å; Y1199-F1202 PolarHBondContact O-N 3.14Å; F1202-S1204 PolarHBondContact O-N 3.19Å; F1202-T1205 WeakPolarHBondContact O-CB 3.29Å; F1202-T1205 PolarHBondContact O-N 3.47Å; F1202-T1213 HydrophobicContact CD1-CG2 3.9Å; F1202-T1213 HydrophobicContact CD2-CG2 3.97Å; F1202-T1213 HydrophobicContact CE1-CG2 3.69Å; F1202-T1213 HydrophobicContact CE2-CG2 3.77Å; F1202-T1213 HydrophobicContact CG-CG2 4.06Å; F1202-T1213 HydrophobicContact CZ-CG2 3.63Å; F1202-T1213 WeakPolarHBondContact O-CG2 3.46Å; F1202-Y1216 HydrophobicContact CE2-CD2 4.32Å; F1202-Y1216 HydrophobicContact CE2-CG 4.48Å |
| 1203 | T | 88 | Confident | 81.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -21 | 176.2 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | L1052 R1055 A1121 L1125 Y1199 L1200 | L1052-T1203 WeakPolarHBondContact CD1-OG1 3.42Å; R1055-T1203 PolarHBondContact NH1-O 3.37Å; A1121-T1203 HydrophobicContact CB-CG2 4.17Å; L1125-T1203 HydrophobicContact CD1-CG2 3.5Å; L1125-T1203 VanDerWaalsContact CD1-CG2 3.5Å; L1125-T1203 HydrophobicContact CG-CG2 4.39Å; Y1199-T1203 HydrophobicContact CD2-CG2 3.99Å; Y1199-T1203 HydrophobicContact CE1-CG2 4.16Å; Y1199-T1203 HydrophobicContact CE2-CG2 3.42Å; Y1199-T1203 VanDerWaalsContact CE2-CG2 3.42Å; Y1199-T1203 WeakPolarHBondContact O-CB 3.41Å; Y1199-T1203 WeakPolarHBondContact O-CG2 3.4Å; Y1199-T1203 PolarHBondContact O-N 3.45Å; Y1199-T1203 PolarHBondContact O-OG1 3.38Å; L1200-T1203 WeakPolarHBondContact CA-OG1 3.42Å; L1200-T1203 PolarHBondContact O-OG1 3.36Å |
| 1204 | S | 87.3 | Confident | 82.8 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -6.1 | 172.1 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | A1051 L1200 E1201 F1202 | A1051-S1204 WeakPolarHBondContact CB-O 3.5Å; L1200-S1204 VanDerWaalsContact O-CB 3.26Å; L1200-S1204 WeakPolarHBondContact O-CB 3.32Å; L1200-S1204 PolarHBondContact O-N 3.08Å; L1200-S1204 PolarHBondContact O-OG 2.99Å; E1201-S1204 CarbonylContact O-C 3.49Å; E1201-S1204 PolarHBondContact O-N 2.91Å; F1202-S1204 PolarHBondContact O-N 3.19Å |
| 1205 | T | 87.4 | Confident | 83.8 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -87.9 | 125.5 | -179.8 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | R1055 F1162 E1201 F1202 T1213 | R1055-T1205 PolarHBondContact NH1-O 3.33Å; R1055-T1205 PolarHBondContact NH2-O 3.45Å; F1162-T1205 HydrophobicContact CE2-CG2 4.29Å; E1201-T1205 PolarHBondContact O-N 3.02Å; E1201-T1205 VanDerWaalsContact O-N 3.14Å; E1201-T1205 PolarHBondContact O-OG1 3.45Å; F1202-T1205 WeakPolarHBondContact O-CB 3.29Å; F1202-T1205 PolarHBondContact O-N 3.47Å; T1205-T1213 PolarHBondContact O-OG1 3.5Å |
| 1206 | P | 85 | Confident | 84.8 | Confident | 41 Ų | 41 | 31.2 Ų | 31.2 | 27% | 0.266 | 18% | 0.184 | S | C | . | . | trans | -54.8 | 144.7 | 178.9 | -25.6 | 33.5 | 0 | 0 | 0 | 114.1 | A1051 A1209 G1212 T1213 | A1051-P1206 HydrophobicContact CB-CG 4.37Å; P1206-A1209 HydrophobicContact CB-CB 4.23Å; P1206-G1212 WeakPolarHBondContact O-CA 3.4Å; P1206-T1213 PolarHBondContact O-N 3.41Å; P1206-T1213 PolarHBondContact O-OG1 3.45Å | ||
| 1207 | A | 81.8 | Confident | 85.7 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -60.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1209 T1213 T1214 | A1207-A1209 PolarHBondContact O-N 3.42Å; A1207-T1213 WeakPolarHBondContact CA-OG1 3.34Å; A1207-T1213 PolarHBondContact N-OG1 2.92Å; A1207-T1214 VanDerWaalsContact C-OG1 3.25Å; A1207-T1214 WeakPolarHBondContact CB-OG1 3.45Å; A1207-T1214 WeakPolarHBondContact O-CB 3.38Å; A1207-T1214 PolarHBondContact O-N 2.91Å; A1207-T1214 PolarHBondContact O-OG1 3.43Å |
| 1208 | N | 75.5 | Confident | 86.3 | Confident | 87 Ų | 87 | 27.8 Ų | 27.8 | 47% | 0.465 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 24.8 | -169.5 | -60.1 | -20 | 0 | 0 | 0 | 114.5 | K959 T1214 | K959-N1208 PolarHBondContact O-ND2 2.68Å; N1208-T1214 PolarHBondContact OD1-OG1 3.29Å |
| 1209 | A | 77.2 | Confident | 86.6 | Confident | 31 Ų | 31 | 32 Ų | 32 | 26% | 0.256 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -83.5 | 160.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | P1206 A1207 M1211 G1212 | P1206-A1209 HydrophobicContact CB-CB 4.23Å; A1207-A1209 PolarHBondContact O-N 3.42Å; A1209-M1211 PolarHBondContact O-N 2.86Å; A1209-G1212 WeakPolarHBondContact O-CA 3.43Å; A1209-G1212 PolarHBondContact O-N 3.06Å |
| 1210 | T | 74 | Confident | 86.9 | Confident | 118 Ų | 118 | 32.2 Ų | 32.2 | 72% | 0.724 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 124 | 165 | 42.9 | 0 | 0 | 0 | 0 | 108.7 | G1212 | T1210-G1212 PolarHBondContact O-N 3.04Š|
| 1211 | M | 81.7 | Confident | 87.4 | Confident | 95 Ų | 95 | 30.4 Ų | 30.4 | 47% | 0.468 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 34.1 | -169 | -53.5 | -69.7 | -84.5 | 0 | 0 | 112.7 | D1165 R1166 A1209 Y1216 | D1165-M1211 HydrophobicContact CB-CE 4.13Å; R1166-M1211 PolarHBondContact NH2-O 3.28Å; A1209-M1211 PolarHBondContact O-N 2.86Å; M1211-Y1216 HydrophobicContact CB-CE2 4.31Å; M1211-Y1216 HydrophobicContact CE-CE1 4.34Å; M1211-Y1216 WeakPolarHBondContact CE-OH 3.36Å; M1211-Y1216 WeakPolarHBondContact O-CE2 3.12Å |
| 1212 | G | 87 | Confident | 87.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -80.4 | 171.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1206 A1209 T1210 T1214 S1215 Y1216 | P1206-G1212 WeakPolarHBondContact O-CA 3.4Å; A1209-G1212 WeakPolarHBondContact O-CA 3.43Å; A1209-G1212 PolarHBondContact O-N 3.06Å; T1210-G1212 PolarHBondContact O-N 3.04Å; G1212-T1214 VanDerWaalsContact C-N 3.35Å; G1212-T1214 PolarHBondContact O-N 2.99Å; G1212-S1215 VanDerWaalsContact O-CB 3.32Å; G1212-S1215 WeakPolarHBondContact O-CB 3.39Å; G1212-S1215 PolarHBondContact O-N 2.64Å; G1212-Y1216 VanDerWaalsContact O-CD2 3.24Å; G1212-Y1216 WeakPolarHBondContact O-CD2 3.34Å; G1212-Y1216 PolarHBondContact O-N 2.64Å | ||
| 1213 | T | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.9 | -44.2 | -177.7 | 20.9 | 0 | 0 | 0 | 0 | 112.3 | R1055 L1125 E1128 F1202 T1205 P1206 A1207 S1215 Y1216 I1217 | R1055-T1213 PolarHBondContact NH2-OG1 3.19Å; L1125-T1213 HydrophobicContact CD2-CG2 4.44Å; E1128-T1213 WeakPolarHBondContact OE1-CB 3.26Å; E1128-T1213 PolarHBondContact OE1-OG1 2.96Å; F1202-T1213 HydrophobicContact CD1-CG2 3.9Å; F1202-T1213 HydrophobicContact CD2-CG2 3.97Å; F1202-T1213 HydrophobicContact CE1-CG2 3.69Å; F1202-T1213 HydrophobicContact CE2-CG2 3.77Å; F1202-T1213 HydrophobicContact CG-CG2 4.06Å; F1202-T1213 HydrophobicContact CZ-CG2 3.63Å; F1202-T1213 WeakPolarHBondContact O-CG2 3.46Å; T1205-T1213 PolarHBondContact O-OG1 3.5Å; P1206-T1213 PolarHBondContact O-N 3.41Å; P1206-T1213 PolarHBondContact O-OG1 3.45Å; A1207-T1213 WeakPolarHBondContact CA-OG1 3.34Å; A1207-T1213 PolarHBondContact N-OG1 2.92Å; T1213-S1215 PolarHBondContact O-N 3.35Å; T1213-Y1216 PolarHBondContact O-N 2.97Å; T1213-I1217 WeakPolarHBondContact O-CG1 3.24Å; T1213-I1217 PolarHBondContact O-N 2.99Å |
| 1214 | T | 91.2 | Very high | 87.4 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 13% | 0.129 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.9 | -36.7 | 173.6 | -49.7 | 0 | 0 | 0 | 0 | 112.9 | E1128 V1132 A1207 N1208 G1212 A1218 | E1128-T1214 PolarHBondContact OE1-N 3.29Å; E1128-T1214 PolarHBondContact OE1-OG1 3.36Å; V1132-T1214 HydrophobicContact CG2-CG2 3.59Å; A1207-T1214 VanDerWaalsContact C-OG1 3.25Å; A1207-T1214 WeakPolarHBondContact CB-OG1 3.45Å; A1207-T1214 WeakPolarHBondContact O-CB 3.38Å; A1207-T1214 PolarHBondContact O-N 2.91Å; A1207-T1214 PolarHBondContact O-OG1 3.43Å; N1208-T1214 PolarHBondContact OD1-OG1 3.29Å; G1212-T1214 VanDerWaalsContact C-N 3.35Å; G1212-T1214 PolarHBondContact O-N 2.99Å; T1214-A1218 VanDerWaalsContact O-CB 3.25Å; T1214-A1218 WeakPolarHBondContact O-CB 3.32Å; T1214-A1218 PolarHBondContact O-N 3.26Å |
| 1215 | S | 91.2 | Very high | 87.4 | Confident | 57 Ų | 57 | 39.2 Ų | 39.2 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.9 | -42.4 | -177.7 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | G1212 T1213 K1219 | G1212-S1215 VanDerWaalsContact O-CB 3.32Å; G1212-S1215 WeakPolarHBondContact O-CB 3.39Å; G1212-S1215 PolarHBondContact O-N 2.64Å; T1213-S1215 PolarHBondContact O-N 3.35Å; S1215-K1219 PolarHBondContact O-N 3.45Å; S1215-K1219 VanDerWaalsContact O-N 3.1Å |
| 1216 | Y | 94.4 | Very high | 87.1 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.7 | -37.9 | 177.2 | -66.2 | -78.1 | 0 | 0 | 0 | 112.1 | A1161 F1162 D1165 F1202 M1211 G1212 T1213 K1219 S1220 | A1161-Y1216 HydrophobicContact CB-CD1 3.84Å; F1162-Y1216 HydrophobicContact CB-CD1 4.19Å; F1162-Y1216 HydrophobicContact CB-CD2 4.29Å; F1162-Y1216 HydrophobicContact CB-CE1 4.2Å; F1162-Y1216 HydrophobicContact CB-CE2 4.32Å; F1162-Y1216 HydrophobicContact CB-CG 4.22Å; F1162-Y1216 AromaticContact CD2-CD2 3.87Å; F1162-Y1216 HydrophobicContact CD2-CD2 3.87Å; F1162-Y1216 AromaticContact CD2-CE2 3.45Å; F1162-Y1216 HydrophobicContact CD2-CE2 3.45Å; F1162-Y1216 VanDerWaalsContact CD2-CE2 3.45Å; F1162-Y1216 AromaticContact CD2-CZ 3.85Å; F1162-Y1216 HydrophobicContact CE2-CE2 4.26Å; F1162-Y1216 HydrophobicContact CG-CE2 4.35Å; D1165-Y1216 HydrophobicContact CB-CE1 4.15Å; D1165-Y1216 WeakPolarHBondContact OD2-CE1 3.37Å; F1202-Y1216 HydrophobicContact CE2-CD2 4.32Å; F1202-Y1216 HydrophobicContact CE2-CG 4.48Å; M1211-Y1216 HydrophobicContact CB-CE2 4.31Å; M1211-Y1216 HydrophobicContact CE-CE1 4.34Å; M1211-Y1216 WeakPolarHBondContact CE-OH 3.36Å; M1211-Y1216 WeakPolarHBondContact O-CE2 3.12Å; G1212-Y1216 VanDerWaalsContact O-CD2 3.24Å; G1212-Y1216 WeakPolarHBondContact O-CD2 3.34Å; G1212-Y1216 PolarHBondContact O-N 2.64Å; T1213-Y1216 PolarHBondContact O-N 2.97Å; Y1216-K1219 PolarHBondContact O-N 2.94Å; Y1216-S1220 PolarHBondContact O-N 3.37Å |
| 1217 | I | 94.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 173.2 | -67.1 | 168.5 | 0 | 0 | 0 | 110 | E1128 T1129 V1132 I1154 A1158 T1213 K1219 S1220 V1221 | E1128-I1217 HydrophobicContact CG-CD1 4.2Å; T1129-I1217 HydrophobicContact CG2-CG2 3.97Å; V1132-I1217 HydrophobicContact CB-CG2 3.89Å; V1132-I1217 HydrophobicContact CG1-CG2 3.91Å; V1132-I1217 HydrophobicContact CG2-CG2 4.1Å; I1154-I1217 HydrophobicContact CG2-CG2 4.45Å; A1158-I1217 HydrophobicContact CB-CG1 4.08Å; T1213-I1217 WeakPolarHBondContact O-CG1 3.24Å; T1213-I1217 PolarHBondContact O-N 2.99Å; I1217-K1219 VanDerWaalsContact C-N 3.29Å; I1217-K1219 PolarHBondContact O-N 3.41Å; I1217-S1220 WeakPolarHBondContact O-CB 3.18Å; I1217-S1220 PolarHBondContact O-N 3.1Å; I1217-S1220 VanDerWaalsContact O-N 3.14Å; I1217-V1221 HydrophobicContact CG2-CG2 4.21Å; I1217-V1221 VanDerWaalsContact O-CG2 3.31Å; I1217-V1221 WeakPolarHBondContact O-CG2 3.5Å; I1217-V1221 PolarHBondContact O-N 3.05Å |
| 1218 | A | 93.3 | Very high | 85.8 | Confident | 24 Ų | 24 | 51 Ų | 51 | 20% | 0.198 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1132 I1136 T1214 V1221 I1222 | V1132-A1218 HydrophobicContact CG1-CB 3.88Å; I1136-A1218 HydrophobicContact CD1-CB 4.25Å; T1214-A1218 VanDerWaalsContact O-CB 3.25Å; T1214-A1218 WeakPolarHBondContact O-CB 3.32Å; T1214-A1218 PolarHBondContact O-N 3.26Å; A1218-V1221 PolarHBondContact O-N 3.45Å; A1218-I1222 WeakPolarHBondContact O-CB 3.37Å; A1218-I1222 VanDerWaalsContact O-CG1 3.29Å; A1218-I1222 WeakPolarHBondContact O-CG1 3.45Å; A1218-I1222 PolarHBondContact O-N 3.27Å |
| 1219 | K | 91.9 | Very high | 85.1 | Confident | 97 Ų | 97 | 52.1 Ų | 52.1 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59 | -48.8 | 174.7 | -173.3 | 178.4 | -178.2 | 178.9 | 0 | 111.6 | S1215 Y1216 I1217 V1221 I1222 D1223 | S1215-K1219 PolarHBondContact O-N 3.45Å; S1215-K1219 VanDerWaalsContact O-N 3.1Å; Y1216-K1219 PolarHBondContact O-N 2.94Å; I1217-K1219 VanDerWaalsContact C-N 3.29Å; I1217-K1219 PolarHBondContact O-N 3.41Å; K1219-V1221 PolarHBondContact O-N 3.44Å; K1219-I1222 PolarHBondContact O-N 3Å; K1219-D1223 PolarHBondContact O-N 3.45Å |
| 1220 | S | 93 | Very high | 84.8 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.7 | 175 | 0 | 0 | 0 | 0 | 112.6 | I1154 D1157 Y1216 I1217 D1223 R1224 | I1154-S1220 WeakPolarHBondContact CA-OG 3.4Å; I1154-S1220 WeakPolarHBondContact O-CB 3.31Å; I1154-S1220 PolarHBondContact O-OG 3.34Å; D1157-S1220 VanDerWaalsContact CB-OG 3.25Å; D1157-S1220 WeakPolarHBondContact CB-OG 3.46Å; Y1216-S1220 PolarHBondContact O-N 3.37Å; I1217-S1220 WeakPolarHBondContact O-CB 3.18Å; I1217-S1220 PolarHBondContact O-N 3.1Å; I1217-S1220 VanDerWaalsContact O-N 3.14Å; S1220-D1223 PolarHBondContact O-N 3.36Å; S1220-R1224 PolarHBondContact O-N 3.32Å |
| 1221 | V | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 178 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | V1132 I1133 I1136 F1145 I1154 I1217 A1218 K1219 R1224 L1225 | V1132-V1221 HydrophobicContact CG1-CG2 4.49Å; I1133-V1221 HydrophobicContact CB-CG1 4.49Å; I1133-V1221 HydrophobicContact CD1-CG2 4.32Å; I1133-V1221 HydrophobicContact CG1-CB 4.39Å; I1133-V1221 HydrophobicContact CG1-CG1 3.87Å; I1133-V1221 HydrophobicContact CG1-CG2 3.52Å; I1136-V1221 HydrophobicContact CD1-CB 3.93Å; I1136-V1221 HydrophobicContact CD1-CG1 3.65Å; F1145-V1221 HydrophobicContact CZ-CG1 4.39Å; I1154-V1221 HydrophobicContact CD1-CG2 4.43Å; I1154-V1221 HydrophobicContact CG2-CG2 3.69Å; I1217-V1221 HydrophobicContact CG2-CG2 4.21Å; I1217-V1221 VanDerWaalsContact O-CG2 3.31Å; I1217-V1221 WeakPolarHBondContact O-CG2 3.5Å; I1217-V1221 PolarHBondContact O-N 3.05Å; A1218-V1221 PolarHBondContact O-N 3.45Å; K1219-V1221 PolarHBondContact O-N 3.44Å; V1221-R1224 PolarHBondContact O-N 2.54Å; V1221-L1225 HydrophobicContact CG1-CD1 3.8Å; V1221-L1225 HydrophobicContact CG1-CG 4.34Å; V1221-L1225 PolarHBondContact O-N 3.47Å |
| 1222 | I | 90.1 | Very high | 83.6 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 178.2 | -69.7 | 169 | 0 | 0 | 0 | 110.4 | I1136 A1218 K1219 R1224 L1225 L1226 | I1136-I1222 HydrophobicContact CD1-CG1 4.21Å; A1218-I1222 WeakPolarHBondContact O-CB 3.37Å; A1218-I1222 VanDerWaalsContact O-CG1 3.29Å; A1218-I1222 WeakPolarHBondContact O-CG1 3.45Å; A1218-I1222 PolarHBondContact O-N 3.27Å; K1219-I1222 PolarHBondContact O-N 3Å; I1222-R1224 PolarHBondContact O-N 3.17Å; I1222-R1224 VanDerWaalsContact O-N 3.17Å; I1222-L1225 PolarHBondContact O-N 2.67Å; I1222-L1226 HydrophobicContact CG2-CD1 3.62Å; I1222-L1226 HydrophobicContact CG2-CG 3.98Å; I1222-L1226 WeakPolarHBondContact O-CB 3.31Å; I1222-L1226 VanDerWaalsContact O-CG 3.3Å; I1222-L1226 WeakPolarHBondContact O-CG 3.45Å; I1222-L1226 PolarHBondContact O-N 2.88Å |
| 1223 | D | 87.3 | Confident | 82.4 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.8 | -29.5 | 178.1 | -78.8 | -10.3 | 0 | 0 | 0 | 112.6 | K1219 S1220 K1227 | K1219-D1223 PolarHBondContact O-N 3.45Å; S1220-D1223 PolarHBondContact O-N 3.36Å; D1223-K1227 WeakPolarHBondContact O-CG 3.47Å |
| 1224 | R | 88.2 | Confident | 80.5 | Confident | 59 Ų | 59 | 65 Ų | 65 | 22% | 0.223 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -83.9 | -40.7 | 174.6 | -71.3 | -169.6 | 175.5 | -113.8 | -16.4 | 113.4 | F1145 L1153 D1157 S1220 V1221 I1222 L1226 K1227 | F1145-R1224 HydrophobicContact CE1-CB 4.33Å; L1153-R1224 VanDerWaalsContact CB-NH2 3.27Å; D1157-R1224 IonicContact OD2-CZ 3.93Å; D1157-R1224 IonicContact OD2-NE 3.69Å; D1157-R1224 PolarHBondContact OD2-NE 3.37Å; D1157-R1224 IonicContact OD2-NH2 2.85Å; D1157-R1224 PolarHBondContact OD2-NH2 2.9Å; S1220-R1224 PolarHBondContact O-N 3.32Å; V1221-R1224 PolarHBondContact O-N 2.54Å; I1222-R1224 PolarHBondContact O-N 3.17Å; I1222-R1224 VanDerWaalsContact O-N 3.17Å; R1224-L1226 VanDerWaalsContact C-N 3.33Å; R1224-L1226 PolarHBondContact O-N 2.7Å; R1224-K1227 WeakPolarHBondContact O-CB 3.24Å; R1224-K1227 PolarHBondContact O-N 2.95Å |
| 1225 | L | 86.4 | Confident | 78.7 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 176.6 | -78.1 | 170.9 | 0 | 0 | 0 | 112.4 | I1136 L1137 L1143 F1145 V1221 I1222 K1227 G1228 | I1136-L1225 HydrophobicContact CG2-CD1 3.54Å; L1137-L1225 HydrophobicContact CD2-CD1 4.33Å; L1137-L1225 HydrophobicContact CD2-CD2 3.9Å; L1143-L1225 HydrophobicContact CB-CD2 4.44Å; L1143-L1225 HydrophobicContact CD1-CD1 4.29Å; F1145-L1225 HydrophobicContact CD1-CD2 3.7Å; F1145-L1225 HydrophobicContact CD1-CG 4.27Å; F1145-L1225 HydrophobicContact CD2-CD2 3.8Å; F1145-L1225 HydrophobicContact CE1-CD2 3.51Å; F1145-L1225 HydrophobicContact CE1-CG 3.66Å; F1145-L1225 HydrophobicContact CE2-CD2 3.63Å; F1145-L1225 HydrophobicContact CE2-CG 4.32Å; F1145-L1225 HydrophobicContact CG-CD2 3.84Å; F1145-L1225 HydrophobicContact CZ-CD1 4.3Å; F1145-L1225 HydrophobicContact CZ-CD2 3.48Å; F1145-L1225 VanDerWaalsContact CZ-CD2 3.48Å; F1145-L1225 HydrophobicContact CZ-CG 3.7Å; V1221-L1225 HydrophobicContact CG1-CD1 3.8Å; V1221-L1225 HydrophobicContact CG1-CG 4.34Å; V1221-L1225 PolarHBondContact O-N 3.47Å; I1222-L1225 PolarHBondContact O-N 2.67Å; L1225-K1227 PolarHBondContact O-N 3.44Å; L1225-G1228 WeakPolarHBondContact O-CA 3.45Å; L1225-G1228 PolarHBondContact O-N 3.25Å |
| 1226 | L | 81.4 | Confident | 76.8 | Confident | 118 Ų | 118 | 68.2 Ų | 68.2 | 62% | 0.618 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.9 | 176.9 | -70.9 | 175.7 | 0 | 0 | 0 | 113.5 | I1222 R1224 G1228 | I1222-L1226 HydrophobicContact CG2-CD1 3.62Å; I1222-L1226 HydrophobicContact CG2-CG 3.98Å; I1222-L1226 WeakPolarHBondContact O-CB 3.31Å; I1222-L1226 VanDerWaalsContact O-CG 3.3Å; I1222-L1226 WeakPolarHBondContact O-CG 3.45Å; I1222-L1226 PolarHBondContact O-N 2.88Å; R1224-L1226 VanDerWaalsContact C-N 3.33Å; R1224-L1226 PolarHBondContact O-N 2.7Å; L1226-G1228 VanDerWaalsContact C-N 3.35Å |
| 1227 | K | 76.2 | Confident | 74.9 | Confident | 173 Ų | 173 | 77 Ų | 77 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -8 | 169.9 | -64.5 | 174.2 | -175.3 | 177.1 | 0 | 112.6 | D1223 R1224 L1225 | D1223-K1227 WeakPolarHBondContact O-CG 3.47Å; R1224-K1227 WeakPolarHBondContact O-CB 3.24Å; R1224-K1227 PolarHBondContact O-N 2.95Å; L1225-K1227 PolarHBondContact O-N 3.44Å |
| 1228 | G | 62.7 | Low | 73 | Confident | 15 Ų | 15 | 83.6 Ų | 83.6 | 16% | 0.155 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -96.1 | -170.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1146 L1225 L1226 | D1146-G1228 VanDerWaalsContact OD2-CA 3.24Å; D1146-G1228 WeakPolarHBondContact OD2-CA 3.4Å; L1225-G1228 WeakPolarHBondContact O-CA 3.45Å; L1225-G1228 PolarHBondContact O-N 3.25Å; L1226-G1228 VanDerWaalsContact C-N 3.35Å |
| 1229 | H | 60.3 | Low | 70.8 | Confident | 111 Ų | 111 | 84.7 Ų | 84.7 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | trans | -87.6 | 136.6 | -176.6 | -169 | 68.3 | 0 | 0 | 0 | 112.6 | S1144 D1146 | S1144-H1229 PolarHBondContact N-O 3.46Å; S1144-H1229 VanDerWaalsContact N-O 3.14Å; S1144-H1229 PolarHBondContact OG-O 3.38Å; D1146-H1229 WeakPolarHBondContact OD1-CA 3.39Å; D1146-H1229 WeakPolarHBondContact OD1-CB 3.33Å; D1146-H1229 PolarHBondContact OD1-N 2.74Å; D1146-H1229 PolarHBondContact OD2-N 3.43Å | ||
| 1230 | I | 70.6 | Confident | 68.6 | Low | 79 Ų | 79 | 83.8 Ų | 83.8 | 41% | 0.405 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -108.4 | 109.9 | 176.8 | -53.9 | 178 | 0 | 0 | 0 | 108.2 | E1142 L1143 L1232 | E1142-I1230 HydrophobicContact CB-CG2 4.17Å; E1142-I1230 HydrophobicContact CG-CG2 4.12Å; E1142-I1230 CarbonylContact O-C 3.58Å; E1142-I1230 WeakPolarHBondContact O-CA 3.44Å; L1143-I1230 HydrophobicContact CD2-CD1 4.48Å; L1143-I1230 HydrophobicContact CD2-CG1 4Å; I1230-L1232 HydrophobicContact CG2-CD2 3.86Å; I1230-L1232 HydrophobicContact CG2-CG 4.12Å; I1230-L1232 PolarHBondContact O-N 3.22Å |
| 1231 | D | 61.9 | Low | 66.4 | Low | 68 Ų | 68 | 88.9 Ų | 88.9 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | trans | -88.1 | 104.6 | 177.8 | -174.2 | -0.3 | 0 | 0 | 0 | 110.6 | E1142 T1233 | E1142-D1231 PolarHBondContact O-N 3.48Å; D1231-T1233 VanDerWaalsContact CG-OG1 3.31Å; D1231-T1233 VanDerWaalsContact OD1-CB 3.24Å; D1231-T1233 WeakPolarHBondContact OD1-CB 3.38Å; D1231-T1233 WeakPolarHBondContact OD1-CG2 3.4Å; D1231-T1233 PolarHBondContact OD1-N 3.14Å; D1231-T1233 PolarHBondContact OD1-OG1 3.11Å; D1231-T1233 PolarHBondContact OD2-OG1 2.91Å | ||
| 1232 | L | 68.6 | Low | 63.8 | Low | 107 Ų | 107 | 93.2 Ų | 93.2 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | trans | -92.2 | 5.1 | 179.9 | -62.2 | 174.5 | 0 | 0 | 0 | 113.5 | I1230 N1234 V1235 | I1230-L1232 HydrophobicContact CG2-CD2 3.86Å; I1230-L1232 HydrophobicContact CG2-CG 4.12Å; I1230-L1232 PolarHBondContact O-N 3.22Å; L1232-N1234 PolarHBondContact O-N 3.49Å; L1232-N1234 VanDerWaalsContact O-N 3.16Å; L1232-V1235 HydrophobicContact CD2-CB 4.37Å; L1232-V1235 HydrophobicContact CD2-CG2 4.06Å; L1232-V1235 PolarHBondContact O-N 2.91Å | ||
| 1233 | T | 62.2 | Low | 61 | Low | 111 Ų | 111 | 99.8 Ų | 99.8 | 68% | 0.681 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.7 | -170.3 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | D1231 | D1231-T1233 VanDerWaalsContact CG-OG1 3.31Å; D1231-T1233 VanDerWaalsContact OD1-CB 3.24Å; D1231-T1233 WeakPolarHBondContact OD1-CB 3.38Å; D1231-T1233 WeakPolarHBondContact OD1-CG2 3.4Å; D1231-T1233 PolarHBondContact OD1-N 3.14Å; D1231-T1233 PolarHBondContact OD1-OG1 3.11Å; D1231-T1233 PolarHBondContact OD2-OG1 2.91Å |
| 1234 | N | 51.8 | Low | 59.7 | Low | 150 Ų | 150 | 100.5 Ų | 100.5 | 80% | 0.802 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 2 | 175.9 | -67.7 | -43 | 0 | 0 | 0 | 113.9 | L1232 T1236 | L1232-N1234 PolarHBondContact O-N 3.49Å; L1232-N1234 VanDerWaalsContact O-N 3.16Å; N1234-T1236 PolarHBondContact O-N 3.33Å |
| 1235 | V | 52.1 | Low | 58.2 | Low | 52 Ų | 52 | 102.6 Ų | 102.6 | 32% | 0.315 | 57% | 0.568 | S | S | . | * | trans | -87.5 | 102.1 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | L1232 A1239 C1240 | L1232-V1235 HydrophobicContact CD2-CB 4.37Å; L1232-V1235 HydrophobicContact CD2-CG2 4.06Å; L1232-V1235 PolarHBondContact O-N 2.91Å; V1235-A1239 HydrophobicContact CG1-CB 4.14Å; V1235-C1240 VanDerWaalsContact CG1-SG 3.59Å | ||
| 1236 | T | 52.5 | Low | 56.6 | Low | 93 Ų | 93 | 108.2 Ų | 108.2 | 57% | 0.571 | 60% | 0.599 | S | S | * | * | trans | -65.8 | 147.7 | 173.4 | 53.4 | 0 | 0 | 0 | 0 | 110 | N1234 D1238 A1239 | N1234-T1236 PolarHBondContact O-N 3.33Å; T1236-D1238 PolarHBondContact O-N 2.88Å; T1236-A1239 WeakPolarHBondContact O-CB 3.33Å; T1236-A1239 PolarHBondContact O-N 2.93Å | ||
| 1237 | K | 53.7 | Low | 55.1 | Low | 189 Ų | 189 | 107.6 Ų | 107.6 | 82% | 0.822 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -30.3 | 178.1 | -103 | -177.6 | 175.4 | 179.6 | 0 | 113.3 | A1239 C1240 | K1237-A1239 VanDerWaalsContact C-N 3.34Å; K1237-C1240 PolarHBondContact O-N 3.5Å |
| 1238 | D | 55.3 | Low | 53.8 | Low | 138 Ų | 138 | 103.6 Ų | 103.6 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -27.7 | 178 | -64.1 | -32.2 | 0 | 0 | 0 | 113.1 | T1236 C1241 | T1236-D1238 PolarHBondContact O-N 2.88Å; D1238-C1241 PolarHBondContact O-N 3.45Å |
| 1239 | A | 47.9 | Very low | 53.2 | Low | 48 Ų | 48 | 109.5 Ų | 109.5 | 40% | 0.397 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -72.3 | -29.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1235 T1236 K1237 C1241 | V1235-A1239 HydrophobicContact CG1-CB 4.14Å; T1236-A1239 WeakPolarHBondContact O-CB 3.33Å; T1236-A1239 PolarHBondContact O-N 2.93Å; K1237-A1239 VanDerWaalsContact C-N 3.34Å; A1239-C1241 VanDerWaalsContact C-N 3.31Å; A1239-C1241 PolarHBondContact O-N 3.21Å |
| 1240 | C | 46.1 | Very low | 52.7 | Low | 77 Ų | 77 | 109.4 Ų | 109.4 | 52% | 0.52 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -74.8 | -17 | 176.2 | -70.5 | 0 | 0 | 0 | 0 | 113.8 | V1235 K1237 | V1235-C1240 VanDerWaalsContact CG1-SG 3.59Å; K1237-C1240 PolarHBondContact O-N 3.5Å |
| 1241 | C | 45.5 | Very low | 51.3 | Low | 114 Ų | 114 | 111.7 Ų | 111.7 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -89.1 | -1.3 | 178.9 | -72.2 | 0 | 0 | 0 | 0 | 113.9 | D1238 A1239 | D1238-C1241 PolarHBondContact O-N 3.45Å; A1239-C1241 VanDerWaalsContact C-N 3.31Å; A1239-C1241 PolarHBondContact O-N 3.21Å |
| 1242 | A | 39.8 | Very low | 50.5 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | trans | -108.1 | 1.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1243 | M | 30.4 | Very low | 48.8 | Very low | 214 Ų | 214 | 116.1 Ų | 116.1 | 100% | 1.054 | 68% | 0.675 | S | S | * | * | trans | -98.3 | 0 | 160 | -71.3 | -160.3 | -128.8 | 0 | 0 | 109.4 |
Retrieved 1,243 of 1,243 residues in 1585.1 ms
(Link to these results)