| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 42.1 | Very low | 238 Ų | 238 | 179.7 Ų | 179.7 | 100% | 1.172 | 86% | 0.855 | S | S | * | * | 0 | 105.2 | 0 | -86.6 | 172.6 | 171.7 | 0 | 0 | 107.8 | M3 | M1-M3 PolarHBondContact O-N 3.07Š| |||
| 2 | N | 36.6 | Very low | 44.7 | Very low | 169 Ų | 169 | 169.3 Ų | 169.3 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -66.7 | 106.3 | 166.3 | -91.6 | -16 | 0 | 0 | 0 | 106.6 | L4 | N2-L4 PolarHBondContact O-N 2.98Š| ||
| 3 | M | 36.7 | Very low | 47.6 | Very low | 174 Ų | 174 | 161.9 Ų | 161.9 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -57.8 | 109.7 | 165.7 | -77.4 | -163.7 | -72.2 | 0 | 0 | 106.6 | M1 Q5 | M1-M3 PolarHBondContact O-N 3.07Å; M3-Q5 VanDerWaalsContact C-N 3.28Å; M3-Q5 PolarHBondContact O-N 2.83Å | ||
| 4 | L | 40.1 | Very low | 50 | Low | 165 Ų | 165 | 154.1 Ų | 154.1 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -53.4 | 99.2 | 163.7 | -83.7 | 153 | 0 | 0 | 0 | 106.6 | N2 I6 | N2-L4 PolarHBondContact O-N 2.98Å; L4-I6 VanDerWaalsContact C-N 3.26Å; L4-I6 PolarHBondContact O-N 2.89Å | ||
| 5 | Q | 33.3 | Very low | 52.2 | Low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | -63.1 | 97.8 | 165.6 | -75.3 | -175.8 | -12.8 | 0 | 0 | 105.7 | M3 P7 | M3-Q5 VanDerWaalsContact C-N 3.28Å; M3-Q5 PolarHBondContact O-N 2.83Å; Q5-P7 VanDerWaalsContact O-CD 3.24Å; Q5-P7 WeakPolarHBondContact O-CD 3.24Å; Q5-P7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | I | 36.7 | Very low | 54.4 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | trans | -57.1 | 116.5 | 165.3 | -62.2 | 163.5 | 0 | 0 | 0 | 104.6 | L4 R8 | L4-I6 VanDerWaalsContact C-N 3.26Å; L4-I6 PolarHBondContact O-N 2.89Å; I6-R8 PolarHBondContact O-N 3.13Å; I6-R8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | P | 37.9 | Very low | 56.2 | Low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | -53.9 | 126.6 | -177.5 | -23.6 | 32.5 | 0 | 0 | 0 | 108.3 | Q5 R9 | Q5-P7 VanDerWaalsContact O-CD 3.24Å; Q5-P7 WeakPolarHBondContact O-CD 3.24Å; Q5-P7 VanDerWaalsContact O-N 3.09Å; P7-R9 PolarHBondContact O-N 2.9Å | ||
| 8 | R | 41.1 | Very low | 58 | Low | 236 Ų | 236 | 132.1 Ų | 132.1 | 89% | 0.891 | 64% | 0.642 | S | S | * | * | trans | -50.9 | 114.9 | 173.6 | -77.1 | -178 | 174.5 | -174.1 | -1.5 | 106.6 | I6 V10 | I6-R8 PolarHBondContact O-N 3.13Å; I6-R8 VanDerWaalsContact O-N 3.13Å; R8-V10 PolarHBondContact O-N 2.94Å | ||
| 9 | R | 46.4 | Very low | 59.6 | Low | 210 Ų | 210 | 131 Ų | 131 | 79% | 0.792 | 64% | 0.639 | S | S | * | * | trans | -49.7 | 111.2 | 171.8 | -101.3 | -178.2 | 176.6 | 174.4 | 0.1 | 106.8 | P7 W11 | P7-R9 PolarHBondContact O-N 2.9Å; R9-W11 PolarHBondContact O-N 3.13Å; R9-W11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | V | 50.1 | Low | 61.1 | Low | 126 Ų | 126 | 128.6 Ų | 128.6 | 76% | 0.764 | 63% | 0.626 | S | S | * | * | trans | -65 | 114.8 | 172.5 | 178.6 | 0 | 0 | 0 | 0 | 105.6 | R8 L12 | R8-V10 PolarHBondContact O-N 2.94Å; V10-L12 PolarHBondContact O-N 3.05Å | ||
| 11 | W | 64.5 | Low | 62.5 | Low | 219 Ų | 219 | 122.6 Ų | 122.6 | 83% | 0.83 | 60% | 0.597 | S | S | * | * | trans | -73 | 101.3 | 177.5 | -67.4 | 100.1 | 0 | 0 | 0 | 108.3 | R9 T13 | R9-W11 PolarHBondContact O-N 3.13Å; R9-W11 VanDerWaalsContact O-N 3.13Å; W11-T13 PolarHBondContact O-N 2.89Å | ||
| 12 | L | 73.3 | Confident | 64.9 | Low | 55 Ų | 55 | 114 Ų | 114 | 29% | 0.288 | 55% | 0.554 | S | S | . | * | trans | -56.2 | 136.2 | 174.2 | -63.7 | 176.7 | 0 | 0 | 0 | 110.5 | V10 E16 R17 E20 | V10-L12 PolarHBondContact O-N 3.05Å; L12-E16 HydrophobicContact CB-CB 3.99Å; L12-E16 HydrophobicContact CD2-CB 4.06Å; L12-E16 HydrophobicContact CG-CB 4.48Å; L12-R17 HydrophobicContact CB-CG 3.7Å; L12-R17 HydrophobicContact CD1-CG 4.42Å; L12-R17 PolarHBondContact O-NH1 3.46Å; L12-E20 HydrophobicContact CD1-CB 4.5Å; L12-E20 WeakPolarHBondContact CD1-OE2 3.13Å | ||
| 13 | T | 82.5 | Confident | 67.5 | Low | 73 Ų | 73 | 108.4 Ų | 108.4 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | trans | -58.6 | 157.9 | 170.1 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | W11 G15 E16 R17 | W11-T13 PolarHBondContact O-N 2.89Å; T13-G15 PolarHBondContact O-N 2.81Å; T13-G15 VanDerWaalsContact O-N 3.17Å; T13-E16 WeakPolarHBondContact CB-OE2 3.44Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.41Å; T13-E16 PolarHBondContact N-OE2 3.02Å; T13-E16 PolarHBondContact O-N 2.74Å; T13-E16 WeakPolarHBondContact OG1-CB 3.36Å; T13-E16 VanDerWaalsContact OG1-CD 3.24Å; T13-E16 WeakPolarHBondContact OG1-CG 3.21Å; T13-E16 PolarHBondContact OG1-N 3Å; T13-E16 PolarHBondContact OG1-OE2 3.31Å; T13-R17 WeakPolarHBondContact O-CG 3.33Å; T13-R17 PolarHBondContact O-N 3.19Å | ||
| 14 | P | 80.4 | Confident | 70.1 | Confident | 52 Ų | 52 | 102.3 Ų | 102.3 | 34% | 0.338 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -52 | -36.4 | 174.7 | -26.5 | 33.6 | 0 | 0 | 0 | 114.3 | L18 Y135 | P14-L18 PolarHBondContact O-N 2.79Å; P14-Y135 HydrophobicContact CB-CD1 4.05Å; P14-Y135 HydrophobicContact CB-CD2 3.4Å; P14-Y135 VanDerWaalsContact CB-CD2 3.4Å; P14-Y135 HydrophobicContact CB-CE2 3.93Å; P14-Y135 HydrophobicContact CB-CG 3.46Å; P14-Y135 VanDerWaalsContact CB-CG 3.46Å; P14-Y135 HydrophobicContact CG-CD2 4.37Å |
| 15 | G | 83.5 | Confident | 72.5 | Confident | 22 Ų | 22 | 94.4 Ų | 94.4 | 23% | 0.227 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -69.6 | -47.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T13 R17 L18 I19 | T13-G15 PolarHBondContact O-N 2.81Å; T13-G15 VanDerWaalsContact O-N 3.17Å; G15-R17 PolarHBondContact O-N 3.17Å; G15-L18 PolarHBondContact O-N 3.2Å; G15-I19 PolarHBondContact O-N 3.3Å; G15-I19 VanDerWaalsContact O-N 3.09Å |
| 16 | E | 86.7 | Confident | 75.4 | Confident | 91 Ų | 91 | 90 Ų | 90 | 43% | 0.425 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 176.1 | -71.6 | 163.3 | 148.7 | 0 | 0 | 111.9 | L12 T13 L18 I19 E20 | L12-E16 HydrophobicContact CB-CB 3.99Å; L12-E16 HydrophobicContact CD2-CB 4.06Å; L12-E16 HydrophobicContact CG-CB 4.48Å; T13-E16 WeakPolarHBondContact CB-OE2 3.44Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.41Å; T13-E16 PolarHBondContact N-OE2 3.02Å; T13-E16 PolarHBondContact O-N 2.74Å; T13-E16 WeakPolarHBondContact OG1-CB 3.36Å; T13-E16 VanDerWaalsContact OG1-CD 3.24Å; T13-E16 WeakPolarHBondContact OG1-CG 3.21Å; T13-E16 PolarHBondContact OG1-N 3Å; T13-E16 PolarHBondContact OG1-OE2 3.31Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 3.41Å; E16-I19 PolarHBondContact O-N 3.09Å; E16-E20 WeakPolarHBondContact O-CB 3.4Å; E16-E20 PolarHBondContact O-N 3.35Å |
| 17 | R | 85.7 | Confident | 77.9 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 33% | 0.332 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.2 | -32 | 174.1 | -70 | -171.5 | -63.2 | -118.2 | 12.9 | 113.5 | L12 T13 G15 F21 | L12-R17 HydrophobicContact CB-CG 3.7Å; L12-R17 HydrophobicContact CD1-CG 4.42Å; L12-R17 PolarHBondContact O-NH1 3.46Å; T13-R17 WeakPolarHBondContact O-CG 3.33Å; T13-R17 PolarHBondContact O-N 3.19Å; G15-R17 PolarHBondContact O-N 3.17Å; R17-F21 VanDerWaalsContact O-CB 3.32Å; R17-F21 WeakPolarHBondContact O-CB 3.3Å; R17-F21 PolarHBondContact O-N 3.37Å |
| 18 | L | 88.1 | Confident | 80.5 | Confident | 19 Ų | 19 | 82.7 Ų | 82.7 | 10% | 0.099 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -73.9 | -41.4 | 175.3 | -178.4 | 60.5 | 0 | 0 | 0 | 110.7 | P14 G15 E16 E20 F21 E22 N139 V140 | P14-L18 PolarHBondContact O-N 2.79Å; G15-L18 PolarHBondContact O-N 3.2Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 3.41Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-F21 CarbonylContact O-C 3.02Å; L18-F21 WeakPolarHBondContact O-CA 3.4Å; L18-F21 WeakPolarHBondContact O-CB 3.35Å; L18-F21 PolarHBondContact O-N 3.13Å; L18-F21 VanDerWaalsContact O-N 3.13Å; L18-E22 WeakPolarHBondContact O-CG 3.42Å; L18-E22 PolarHBondContact O-N 3.38Å; L18-N139 HydrophobicContact CD2-CB 4.48Å; L18-V140 HydrophobicContact CD1-CG1 3.85Å |
| 19 | I | 89.7 | Confident | 83 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 57% | 0.574 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 175.3 | -64.1 | 169.3 | 0 | 0 | 0 | 110.6 | G15 E16 F21 E22 A23 | G15-I19 PolarHBondContact O-N 3.3Å; G15-I19 VanDerWaalsContact O-N 3.09Å; E16-I19 PolarHBondContact O-N 3.09Å; I19-F21 VanDerWaalsContact C-N 3.28Å; I19-F21 PolarHBondContact O-N 3.11Å; I19-E22 WeakPolarHBondContact O-CB 3.47Å; I19-E22 PolarHBondContact O-N 3.05Å; I19-A23 PolarHBondContact O-N 2.97Å |
| 20 | E | 89.1 | Confident | 85.2 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 39% | 0.388 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 174.4 | -170.6 | -169.3 | -161 | 0 | 0 | 111.1 | L12 E16 L18 A23 H24 | L12-E20 HydrophobicContact CD1-CB 4.5Å; L12-E20 WeakPolarHBondContact CD1-OE2 3.13Å; E16-E20 WeakPolarHBondContact O-CB 3.4Å; E16-E20 PolarHBondContact O-N 3.35Å; L18-E20 VanDerWaalsContact C-N 3.35Å; E20-A23 WeakPolarHBondContact O-CB 3.47Å; E20-A23 PolarHBondContact O-N 3.07Å; E20-H24 PolarHBondContact O-N 3.41Å; E20-H24 PolarHBondContact O-ND1 3.25Å; E20-H24 IonicContact OE1-CE1 3.88Å |
| 21 | F | 89.6 | Confident | 87.4 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 175.2 | -177.4 | -97.3 | 0 | 0 | 0 | 112.6 | R17 L18 I19 A23 H24 V25 R107 T110 I111 S137 V140 | R17-F21 VanDerWaalsContact O-CB 3.32Å; R17-F21 WeakPolarHBondContact O-CB 3.3Å; R17-F21 PolarHBondContact O-N 3.37Å; L18-F21 CarbonylContact O-C 3.02Å; L18-F21 WeakPolarHBondContact O-CA 3.4Å; L18-F21 WeakPolarHBondContact O-CB 3.35Å; L18-F21 PolarHBondContact O-N 3.13Å; L18-F21 VanDerWaalsContact O-N 3.13Å; I19-F21 VanDerWaalsContact C-N 3.28Å; I19-F21 PolarHBondContact O-N 3.11Å; F21-A23 VanDerWaalsContact C-N 3.34Å; F21-H24 WeakPolarHBondContact O-CB 3.46Å; F21-H24 PolarHBondContact O-N 2.89Å; F21-V25 HydrophobicContact CD1-CG2 4.32Å; F21-V25 HydrophobicContact CE1-CG2 3.9Å; F21-V25 HydrophobicContact CZ-CG2 4.23Å; F21-V25 WeakPolarHBondContact O-CG2 3.49Å; F21-V25 PolarHBondContact O-N 3.21Å; F21-R107 HydrophobicContact CD2-CB 3.73Å; F21-R107 HydrophobicContact CE2-CB 3.56Å; F21-R107 WeakPolarHBondContact CE2-O 3.45Å; F21-T110 HydrophobicContact CE1-CG2 4.34Å; F21-T110 HydrophobicContact CZ-CG2 3.84Å; F21-I111 HydrophobicContact CD2-CD1 4.39Å; F21-I111 HydrophobicContact CE1-CG1 4.5Å; F21-I111 HydrophobicContact CE2-CD1 3.8Å; F21-I111 HydrophobicContact CE2-CG1 3.54Å; F21-I111 HydrophobicContact CZ-CD1 4.19Å; F21-I111 HydrophobicContact CZ-CG1 3.51Å; F21-S137 WeakPolarHBondContact CE1-O 3.07Å; F21-V140 HydrophobicContact CD1-CG1 3.43Å; F21-V140 VanDerWaalsContact CD1-CG1 3.43Å; F21-V140 HydrophobicContact CE1-CB 4.5Å; F21-V140 HydrophobicContact CE1-CG1 3.65Å; F21-V140 HydrophobicContact CE1-CG2 4.04Å |
| 22 | E | 91.9 | Very high | 88.8 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 171.7 | -71.4 | 177.1 | 179.4 | 0 | 0 | 111.7 | L18 I19 H24 V25 Q26 L32 V140 | L18-E22 WeakPolarHBondContact O-CG 3.42Å; L18-E22 PolarHBondContact O-N 3.38Å; I19-E22 WeakPolarHBondContact O-CB 3.47Å; I19-E22 PolarHBondContact O-N 3.05Å; E22-H24 VanDerWaalsContact C-N 3.3Å; E22-H24 PolarHBondContact O-N 3.48Å; E22-V25 WeakPolarHBondContact O-CB 3.22Å; E22-V25 PolarHBondContact O-N 3.43Å; E22-Q26 PolarHBondContact O-N 2.94Å; E22-L32 HydrophobicContact CB-CD1 4.17Å; E22-L32 HydrophobicContact CB-CD2 4.36Å; E22-L32 HydrophobicContact CG-CD1 4.02Å; E22-L32 HydrophobicContact CG-CD2 4.21Å; E22-V140 HydrophobicContact CG-CG1 3.7Å |
| 23 | A | 90.8 | Very high | 89.8 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I19 E20 F21 Q26 A27 | I19-A23 PolarHBondContact O-N 2.97Å; E20-A23 WeakPolarHBondContact O-CB 3.47Å; E20-A23 PolarHBondContact O-N 3.07Å; F21-A23 VanDerWaalsContact C-N 3.34Å; A23-Q26 PolarHBondContact O-N 3.14Å; A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.13Å |
| 24 | H | 90.5 | Very high | 90.5 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 21% | 0.213 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 173.3 | -70.1 | 126.9 | 0 | 0 | 0 | 112.5 | E20 F21 E22 Q26 A27 T28 C104 I111 | E20-H24 PolarHBondContact O-N 3.41Å; E20-H24 PolarHBondContact O-ND1 3.25Å; E20-H24 IonicContact OE1-CE1 3.88Å; F21-H24 WeakPolarHBondContact O-CB 3.46Å; F21-H24 PolarHBondContact O-N 2.89Å; E22-H24 VanDerWaalsContact C-N 3.3Å; E22-H24 PolarHBondContact O-N 3.48Å; H24-Q26 VanDerWaalsContact C-N 3.27Å; H24-Q26 PolarHBondContact O-N 3.3Å; H24-A27 PolarHBondContact O-N 3.06Å; H24-T28 WeakPolarHBondContact O-CG2 3.5Å; H24-T28 PolarHBondContact O-N 3.3Å; H24-C104 HydrophobicContact CB-CB 4.43Å; H24-I111 HydrophobicContact CB-CD1 3.81Å |
| 25 | V | 91.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56 | -47.1 | 173.5 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | F21 E22 A27 T28 L30 L32 I111 | F21-V25 HydrophobicContact CD1-CG2 4.32Å; F21-V25 HydrophobicContact CE1-CG2 3.9Å; F21-V25 HydrophobicContact CZ-CG2 4.23Å; F21-V25 WeakPolarHBondContact O-CG2 3.49Å; F21-V25 PolarHBondContact O-N 3.21Å; E22-V25 WeakPolarHBondContact O-CB 3.22Å; E22-V25 PolarHBondContact O-N 3.43Å; V25-A27 PolarHBondContact O-N 3.41Å; V25-T28 PolarHBondContact O-N 2.85Å; V25-T28 VanDerWaalsContact O-N 3.15Å; V25-T28 PolarHBondContact O-OG1 2.89Å; V25-L30 HydrophobicContact CG1-CB 3.95Å; V25-L32 HydrophobicContact CB-CD2 4.33Å; V25-L32 HydrophobicContact CG1-CD2 4.12Å; V25-I111 HydrophobicContact CG2-CD1 4.2Å; V25-I111 HydrophobicContact CG2-CG1 3.96Å |
| 26 | Q | 92.7 | Very high | 91.7 | Very high | 86 Ų | 86 | 52.1 Ų | 52.1 | 40% | 0.402 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.3 | -68.1 | 179.7 | -48.5 | 0 | 0 | 113.8 | E22 A23 H24 T28 G29 L30 | E22-Q26 PolarHBondContact O-N 2.94Å; A23-Q26 PolarHBondContact O-N 3.14Å; H24-Q26 VanDerWaalsContact C-N 3.27Å; H24-Q26 PolarHBondContact O-N 3.3Å; Q26-T28 PolarHBondContact O-N 3.01Å; Q26-T28 VanDerWaalsContact O-N 3.16Å; Q26-G29 PolarHBondContact O-N 3.36Å; Q26-L30 VanDerWaalsContact CA-O 3.22Å; Q26-L30 WeakPolarHBondContact CA-O 3.35Å |
| 27 | A | 90.9 | Very high | 92.1 | Very high | 81 Ų | 81 | 55.9 Ų | 55.9 | 67% | 0.669 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.3 | -21 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A23 H24 V25 G29 | A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.13Å; H24-A27 PolarHBondContact O-N 3.06Å; V25-A27 PolarHBondContact O-N 3.41Å; A27-G29 VanDerWaalsContact C-N 3.3Å |
| 28 | T | 91.7 | Very high | 92.6 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 16% | 0.16 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.3 | 174.2 | 68.8 | 0 | 0 | 0 | 0 | 114.7 | H24 V25 Q26 L101 I111 H115 | H24-T28 WeakPolarHBondContact O-CG2 3.5Å; H24-T28 PolarHBondContact O-N 3.3Å; V25-T28 PolarHBondContact O-N 2.85Å; V25-T28 VanDerWaalsContact O-N 3.15Å; V25-T28 PolarHBondContact O-OG1 2.89Å; Q26-T28 PolarHBondContact O-N 3.01Å; Q26-T28 VanDerWaalsContact O-N 3.16Å; T28-L101 HydrophobicContact CG2-CD2 3.78Å; T28-I111 HydrophobicContact CG2-CG2 3.81Å; T28-H115 WeakPolarHBondContact CB-NE2 3.46Å; T28-H115 PolarHBondContact O-CE1 3.22Å; T28-H115 PolarHBondContact OG1-NE2 3.1Å |
| 29 | G | 92.5 | Very high | 93 | Very high | 60 Ų | 60 | 54 Ų | 54 | 62% | 0.619 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -3.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q26 A27 | Q26-G29 PolarHBondContact O-N 3.36Å; A27-G29 VanDerWaalsContact C-N 3.3Å |
| 30 | L | 93.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | trans | -87.4 | 133.8 | 172.5 | -68 | -178.3 | 0 | 0 | 0 | 111.1 | V25 Q26 D34 L35 F114 H115 L118 | V25-L30 HydrophobicContact CG1-CB 3.95Å; Q26-L30 VanDerWaalsContact CA-O 3.22Å; Q26-L30 WeakPolarHBondContact CA-O 3.35Å; L30-D34 HydrophobicContact CD2-CB 4.4Å; L30-L35 HydrophobicContact CD1-CD2 4.3Å; L30-F114 HydrophobicContact CD1-CB 4.22Å; L30-H115 WeakPolarHBondContact CD1-CD2 3.37Å; L30-H115 WeakPolarHBondContact CD1-NE2 3.39Å; L30-H115 WeakPolarHBondContact CG-NE2 3.38Å; L30-L118 HydrophobicContact CD1-CD1 3.88Å; L30-L118 HydrophobicContact CD2-CD1 3.54Å; L30-L118 HydrophobicContact CG-CD1 4.36Å | ||
| 31 | Q | 95.1 | Very high | 93.8 | Very high | 92 Ų | 92 | 44.9 Ų | 44.9 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | trans | -83.9 | 150.7 | 162.9 | -59.7 | -56 | -39.4 | 0 | 0 | 110 | S33 D34 | Q31-S33 WeakPolarHBondContact CB-OG 3.34Å; Q31-S33 PolarHBondContact O-N 2.68Å; Q31-S33 VanDerWaalsContact O-N 3.1Å; Q31-D34 WeakPolarHBondContact CB-OD2 3.26Å; Q31-D34 PolarHBondContact N-OD2 3.42Å; Q31-D34 VanDerWaalsContact O-CB 3.31Å; Q31-D34 WeakPolarHBondContact O-CB 3.46Å; Q31-D34 PolarHBondContact O-N 2.88Å | ||
| 32 | L | 93.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.7 | 174.6 | -63.7 | -179.9 | 0 | 0 | 0 | 112.5 | E22 V25 D34 L35 V140 | E22-L32 HydrophobicContact CB-CD1 4.17Å; E22-L32 HydrophobicContact CB-CD2 4.36Å; E22-L32 HydrophobicContact CG-CD1 4.02Å; E22-L32 HydrophobicContact CG-CD2 4.21Å; V25-L32 HydrophobicContact CB-CD2 4.33Å; V25-L32 HydrophobicContact CG1-CD2 4.12Å; L32-D34 VanDerWaalsContact C-N 3.32Å; L32-L35 HydrophobicContact CD2-CD1 4.49Å; L32-L35 PolarHBondContact O-N 2.84Å; L32-V140 HydrophobicContact CD2-CB 4.43Å |
| 33 | S | 95.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 42 Ų | 42 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -24.1 | 172.4 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | Q31 L35 D36 | Q31-S33 WeakPolarHBondContact CB-OG 3.34Å; Q31-S33 PolarHBondContact O-N 2.68Å; Q31-S33 VanDerWaalsContact O-N 3.1Å; S33-L35 PolarHBondContact O-N 3.2Å; S33-D36 WeakPolarHBondContact O-CB 3.06Å; S33-D36 PolarHBondContact O-N 3.19Å |
| 34 | D | 96.8 | Very high | 94.9 | Very high | 46 Ų | 46 | 39.6 Ų | 39.6 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -66.1 | -33.3 | 175.7 | -63.7 | -45.8 | 0 | 0 | 0 | 110.8 | L30 Q31 L32 D36 R37 L118 | L30-D34 HydrophobicContact CD2-CB 4.4Å; Q31-D34 WeakPolarHBondContact CB-OD2 3.26Å; Q31-D34 PolarHBondContact N-OD2 3.42Å; Q31-D34 VanDerWaalsContact O-CB 3.31Å; Q31-D34 WeakPolarHBondContact O-CB 3.46Å; Q31-D34 PolarHBondContact O-N 2.88Å; L32-D34 VanDerWaalsContact C-N 3.32Å; D34-D36 PolarHBondContact O-N 3.31Å; D34-R37 WeakPolarHBondContact O-CB 3.42Å; D34-R37 WeakPolarHBondContact O-CG 3.26Å; D34-R37 PolarHBondContact O-N 3.14Å; D34-L118 HydrophobicContact CB-CD1 4.15Å; D34-L118 WeakPolarHBondContact O-CD2 3.05Å |
| 35 | L | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -66.1 | -24.7 | 178.7 | -52.5 | -170 | 0 | 0 | 0 | 112.9 | L30 L32 S33 R37 L38 F114 L118 V140 | L30-L35 HydrophobicContact CD1-CD2 4.3Å; L32-L35 HydrophobicContact CD2-CD1 4.49Å; L32-L35 PolarHBondContact O-N 2.84Å; S33-L35 PolarHBondContact O-N 3.2Å; L35-R37 PolarHBondContact O-N 2.96Å; L35-R37 VanDerWaalsContact O-N 3.16Å; L35-L38 WeakPolarHBondContact O-CB 3.33Å; L35-L38 PolarHBondContact O-N 3.18Å; L35-F114 HydrophobicContact CD1-CD2 4.03Å; L35-F114 HydrophobicContact CD1-CE2 4.04Å; L35-F114 HydrophobicContact CD1-CG 4.28Å; L35-F114 HydrophobicContact CD1-CZ 4.31Å; L35-F114 HydrophobicContact CD2-CB 3.62Å; L35-F114 HydrophobicContact CD2-CD1 3.99Å; L35-F114 HydrophobicContact CD2-CD2 4.14Å; L35-F114 HydrophobicContact CD2-CG 3.67Å; L35-L118 HydrophobicContact CD2-CD1 4.2Å; L35-V140 HydrophobicContact CD1-CB 4.44Å; L35-V140 HydrophobicContact CD1-CG2 3.81Å |
| 36 | D | 93.7 | Very high | 95.1 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -66.4 | -15.7 | 178.8 | -63.5 | -37.5 | 0 | 0 | 0 | 112.3 | S33 D34 L38 R142 N143 | S33-D36 WeakPolarHBondContact O-CB 3.06Å; S33-D36 PolarHBondContact O-N 3.19Å; D34-D36 PolarHBondContact O-N 3.31Å; D36-L38 VanDerWaalsContact C-N 3.28Å; D36-L38 PolarHBondContact O-N 3.49Å; D36-R142 IonicContact OD1-NE 2.68Å; D36-R142 IonicContact OD2-CZ 3.62Å; D36-R142 IonicContact OD2-NE 3.58Å; D36-R142 IonicContact OD2-NH2 3.81Å; D36-R142 PolarHBondContact OD2-NH2 3.2Å; D36-N143 PolarHBondContact OD1-ND2 3.44Å; D36-N143 PolarHBondContact OD2-ND2 3.4Å |
| 37 | R | 94 | Very high | 94.9 | Very high | 170 Ų | 170 | 35.5 Ų | 35.5 | 64% | 0.642 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -76 | -11.5 | 176.8 | -62.1 | 167.1 | 57.9 | -160.9 | -5.6 | 113.7 | D34 L35 N39 L118 | D34-R37 WeakPolarHBondContact O-CB 3.42Å; D34-R37 WeakPolarHBondContact O-CG 3.26Å; D34-R37 PolarHBondContact O-N 3.14Å; L35-R37 PolarHBondContact O-N 2.96Å; L35-R37 VanDerWaalsContact O-N 3.16Å; R37-N39 PolarHBondContact O-N 3.17Å; R37-L118 HydrophobicContact CB-CD2 4.46Å |
| 38 | L | 96.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -85.7 | 0.9 | -170.7 | -66.6 | 178 | 0 | 0 | 0 | 114.9 | L35 D36 V40 F114 F117 L118 I122 A125 | L35-L38 WeakPolarHBondContact O-CB 3.33Å; L35-L38 PolarHBondContact O-N 3.18Å; D36-L38 VanDerWaalsContact C-N 3.28Å; D36-L38 PolarHBondContact O-N 3.49Å; L38-V40 HydrophobicContact CB-CG2 3.9Å; L38-V40 PolarHBondContact O-N 3.04Å; L38-F114 HydrophobicContact CD1-CD1 3.8Å; L38-F114 HydrophobicContact CD1-CE1 4.48Å; L38-F117 HydrophobicContact CD1-CB 4.39Å; L38-F117 HydrophobicContact CD2-CB 3.91Å; L38-L118 HydrophobicContact CD1-CD2 4.49Å; L38-L118 HydrophobicContact CD1-CG 4.39Å; L38-L118 HydrophobicContact CD2-CD2 3.66Å; L38-L118 HydrophobicContact CD2-CG 3.96Å; L38-L118 HydrophobicContact CG-CD2 3.94Å; L38-L118 HydrophobicContact CG-CG 4.33Å; L38-I122 HydrophobicContact CD2-CD1 4.21Å; L38-I122 HydrophobicContact CD2-CG1 4.11Å; L38-A125 HydrophobicContact CB-CB 3.88Å; L38-A125 PolarHBondContact O-N 2.82Å |
| 39 | N | 96.5 | Very high | 95 | Very high | 63 Ų | 63 | 32.5 Ų | 32.5 | 34% | 0.337 | 18% | 0.179 | S | C | . | . | trans | 42.4 | 59.8 | -179 | -64.1 | -42.4 | 0 | 0 | 0 | 112.8 | R37 D123 V145 W246 T250 | R37-N39 PolarHBondContact O-N 3.17Å; N39-D123 WeakPolarHBondContact CB-O 3.13Å; N39-D123 PolarHBondContact ND2-O 2.92Å; N39-D123 VanDerWaalsContact ND2-O 3.1Å; N39-V145 HydrophobicContact CB-CG2 3.97Å; N39-W246 HydrophobicContact CB-CZ2 4.04Å; N39-W246 PolarHBondContact O-NE1 2.74Å; N39-T250 HydrophobicContact CB-CG2 4.3Å | ||
| 40 | V | 98.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | trans | -72.3 | 135.7 | -162.9 | -179.8 | 0 | 0 | 0 | 0 | 113.3 | L38 H42 A125 I127 V141 P144 V145 | L38-V40 HydrophobicContact CB-CG2 3.9Å; L38-V40 PolarHBondContact O-N 3.04Å; V40-H42 HydrophobicContact CG1-CB 4.07Å; V40-A125 CarbonylContact C-O 2.84Å; V40-A125 VanDerWaalsContact CA-O 3.3Å; V40-A125 WeakPolarHBondContact CA-O 3.15Å; V40-A125 HydrophobicContact CG2-CB 4.11Å; V40-I127 HydrophobicContact CG1-CB 4.16Å; V40-I127 HydrophobicContact CG1-CG1 3.68Å; V40-V141 HydrophobicContact CB-CG1 3.78Å; V40-V141 HydrophobicContact CG1-CG1 3.88Å; V40-V141 HydrophobicContact CG1-CG2 4.28Å; V40-V141 HydrophobicContact CG2-CG1 3.78Å; V40-V141 HydrophobicContact CG2-CG2 4.16Å; V40-P144 HydrophobicContact CB-CB 4.48Å; V40-V145 PolarHBondContact O-N 3.17Å | ||
| 41 | V | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.8 | 156.1 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | V43 V56 V124 A125 I126 I127 V146 L242 W246 | V41-V43 HydrophobicContact CG1-CG2 4.07Å; V41-V56 HydrophobicContact CG1-CG1 4.24Å; V41-V56 HydrophobicContact CG2-CG1 4.31Å; V41-V124 HydrophobicContact CG2-CG2 4Å; V41-A125 PolarHBondContact N-O 2.98Å; V41-I126 HydrophobicContact CB-CG1 4.47Å; V41-I127 PolarHBondContact O-N 3.33Å; V41-V146 WeakPolarHBondContact CA-O 3.5Å; V41-V146 HydrophobicContact CB-CG1 4.38Å; V41-V146 HydrophobicContact CG1-CG1 4.08Å; V41-V146 HydrophobicContact CG2-CG1 3.94Å; V41-L242 HydrophobicContact CG1-CB 4.33Å; V41-L242 HydrophobicContact CG1-CD1 4.33Å; V41-W246 HydrophobicContact CG2-CB 4.01Å; V41-W246 VanDerWaalsContact CG2-CD1 3.42Å; V41-W246 HydrophobicContact CG2-CG 3.81Å |
| 42 | H | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.2 | -173.4 | -159.8 | -173.3 | 0 | 0 | 0 | 111.1 | V40 I127 V129 T138 P144 V146 C147 G148 | V40-H42 HydrophobicContact CG1-CB 4.07Å; H42-I127 PolarHBondContact CD2-O 3.43Å; H42-V129 WeakPolarHBondContact CD2-CG2 3.24Å; H42-V129 WeakPolarHBondContact NE2-CG2 3.39Å; H42-T138 PolarHBondContact CE1-O 3.42Å; H42-T138 VanDerWaalsContact CE1-O 3.3Å; H42-T138 WeakPolarHBondContact NE2-CB 3.22Å; H42-T138 PolarHBondContact NE2-OG1 2.97Å; H42-P144 HydrophobicContact CB-CB 4.11Å; H42-V146 PolarHBondContact N-O 2.96Å; H42-C147 CarbonylContact O-C 3.42Å; H42-C147 WeakPolarHBondContact O-CA 3.4Å; H42-G148 PolarHBondContact O-N 3.38Å |
| 43 | V | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 109.9 | -170.7 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | V41 C52 C53 I127 V129 G148 T150 L242 | V41-V43 HydrophobicContact CG1-CG2 4.07Å; V43-C52 HydrophobicContact CG1-CB 4.36Å; V43-C53 VanDerWaalsContact CB-SG 3.56Å; V43-I127 PolarHBondContact N-O 3.11Å; V43-V129 VanDerWaalsContact O-CB 3.22Å; V43-V129 WeakPolarHBondContact O-CB 3.15Å; V43-V129 WeakPolarHBondContact O-CG2 3.28Å; V43-V129 PolarHBondContact O-N 3.03Å; V43-G148 WeakPolarHBondContact CA-O 3.35Å; V43-T150 HydrophobicContact CG1-CG2 3.76Å; V43-L242 HydrophobicContact CG2-CD1 4Å |
| 44 | A | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 173.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | V129 G148 I149 T150 K171 V174 | A44-V129 HydrophobicContact CB-CB 4.27Å; A44-V129 HydrophobicContact CB-CG1 4.36Å; A44-V129 HydrophobicContact CB-CG2 3.98Å; A44-G148 PolarHBondContact N-O 3.41Å; A44-I149 WeakPolarHBondContact O-CA 3.35Å; A44-T150 PolarHBondContact O-N 3.41Å; A44-K171 HydrophobicContact CB-CB 4.38Å; A44-K171 WeakPolarHBondContact CB-O 3.29Å; A44-V174 HydrophobicContact CB-CG1 4.04Å; A44-V174 HydrophobicContact CB-CG2 3.74Å |
| 45 | G | 95 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | 138.6 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K49 T150 K171 | G45-K49 WeakPolarHBondContact O-CD 3.38Å; G45-K49 PolarHBondContact O-NZ 3.18Å; G45-T150 WeakPolarHBondContact CA-OG1 3.31Å; G45-K171 WeakPolarHBondContact O-CE 3.37Å; G45-K171 PolarHBondContact O-NZ 3.02Å | ||
| 46 | T | 90.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 6% | 0.055 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -97.8 | -51.2 | 174.7 | -57.4 | 0 | 0 | 0 | 0 | 109.9 | K49 R151 D153 D155 K171 | T46-K49 PolarHBondContact O-NZ 3.33Å; T46-R151 WeakPolarHBondContact CA-O 3.5Å; T46-R151 WeakPolarHBondContact CB-O 3.49Å; T46-R151 PolarHBondContact N-O 2.82Å; T46-D153 HydrophobicContact CG2-CB 3.79Å; T46-D153 PolarHBondContact OG1-N 3.2Å; T46-D153 VanDerWaalsContact OG1-N 3.16Å; T46-D153 PolarHBondContact OG1-O 3.4Å; T46-D155 HydrophobicContact CG2-CB 3.52Å; T46-K171 VanDerWaalsContact OG1-CE 3.29Å; T46-K171 WeakPolarHBondContact OG1-CE 3.33Å |
| 47 | K | 88.6 | Confident | 95.3 | Very high | 37 Ų | 37 | 16.9 Ų | 16.9 | 16% | 0.161 | 8% | 0.081 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 135.6 | -175.2 | -67.7 | -60.1 | -169.7 | 171.1 | 0 | 113.7 | T150 R151 T313 S316 | K47-T150 WeakPolarHBondContact O-CB 3.3Å; K47-T150 PolarHBondContact O-OG1 3.24Å; K47-R151 HydrophobicContact CB-CB 4.28Å; K47-R151 PolarHBondContact N-O 3.25Å; K47-T313 VanDerWaalsContact CE-CG2 3.42Å; K47-T313 WeakPolarHBondContact CE-OG1 3.43Å; K47-T313 PolarHBondContact NZ-OG1 2.81Å; K47-S316 PolarHBondContact NZ-OG 3.06Å |
| 48 | G | 91.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 9.1 Ų | 9.1 | 20% | 0.196 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 82.7 | 7.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | S51 C52 N235 | G48-S51 PolarHBondContact O-N 3.35Å; G48-C52 WeakPolarHBondContact O-CB 3.42Å; G48-C52 PolarHBondContact O-N 2.89Å; G48-N235 WeakPolarHBondContact CA-ND2 3.33Å |
| 49 | K | 94.5 | Very high | 95 | Very high | 25 Ų | 25 | 9 Ų | 9 | 11% | 0.109 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -53.1 | -62.6 | 177.5 | -67.6 | -169 | -63.7 | -61.9 | 0 | 112.2 | G45 T46 S51 C52 C53 E128 V129 T150 | G45-K49 WeakPolarHBondContact O-CD 3.38Å; G45-K49 PolarHBondContact O-NZ 3.18Å; T46-K49 PolarHBondContact O-NZ 3.33Å; K49-S51 VanDerWaalsContact C-N 3.32Å; K49-S51 PolarHBondContact O-N 3.43Å; K49-C52 WeakPolarHBondContact O-CB 3.3Å; K49-C52 PolarHBondContact O-N 3.37Å; K49-C52 VanDerWaalsContact O-N 3.15Å; K49-C53 PolarHBondContact O-N 3.37Å; K49-C53 PolarHBondContact O-SG 3.48Å; K49-C53 VanDerWaalsContact O-SG 3.38Å; K49-E128 HydrophobicContact CB-CG 3.82Å; K49-E128 WeakPolarHBondContact CB-OE1 3.49Å; K49-E128 HydrophobicContact CD-CG 4.42Å; K49-V129 HydrophobicContact CD-CB 4.49Å; K49-V129 WeakPolarHBondContact CE-O 3.4Å; K49-T150 HydrophobicContact CG-CG2 4.36Å |
| 50 | G | 94 | Very high | 94.8 | Very high | 6 Ų | 6 | 6 Ų | 6 | 6% | 0.062 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -55.3 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C53 A54 E128 | G50-C53 PolarHBondContact O-N 3.27Å; G50-A54 WeakPolarHBondContact O-CB 3.37Å; G50-A54 PolarHBondContact O-N 3.42Å; G50-E128 PolarHBondContact N-OE1 2.89Å |
| 51 | S | 94.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 10.4 Ų | 10.4 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 175.7 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | G48 K49 A54 F55 Q232 | G48-S51 PolarHBondContact O-N 3.35Å; K49-S51 VanDerWaalsContact C-N 3.32Å; K49-S51 PolarHBondContact O-N 3.43Å; S51-A54 PolarHBondContact O-N 2.83Å; S51-F55 WeakPolarHBondContact O-CD2 2.87Å; S51-F55 WeakPolarHBondContact O-CG 3.26Å; S51-F55 PolarHBondContact O-N 3.02Å; S51-Q232 PolarHBondContact OG-NE2 2.75Å; S51-Q232 PolarHBondContact OG-OE1 3.39Å |
| 52 | C | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 175.6 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | V43 G48 K49 A54 F55 V56 T150 N235 | V43-C52 HydrophobicContact CG1-CB 4.36Å; G48-C52 WeakPolarHBondContact O-CB 3.42Å; G48-C52 PolarHBondContact O-N 2.89Å; K49-C52 WeakPolarHBondContact O-CB 3.3Å; K49-C52 PolarHBondContact O-N 3.37Å; K49-C52 VanDerWaalsContact O-N 3.15Å; C52-A54 PolarHBondContact O-N 3.41Å; C52-F55 PolarHBondContact O-N 3.36Å; C52-V56 WeakPolarHBondContact O-CG2 3.38Å; C52-V56 PolarHBondContact O-N 3.45Å; C52-T150 HydrophobicContact CB-CG2 3.84Å; C52-N235 HydrophobicContact CB-CB 4.4Å |
| 53 | C | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 174.3 | -69.1 | 0 | 0 | 0 | 0 | 112.4 | V43 K49 G50 F55 V56 E57 F69 I126 | V43-C53 VanDerWaalsContact CB-SG 3.56Å; K49-C53 PolarHBondContact O-N 3.37Å; K49-C53 PolarHBondContact O-SG 3.48Å; K49-C53 VanDerWaalsContact O-SG 3.38Å; G50-C53 PolarHBondContact O-N 3.27Å; C53-F55 VanDerWaalsContact C-N 3.34Å; C53-F55 PolarHBondContact O-N 2.89Å; C53-V56 PolarHBondContact O-N 2.89Å; C53-E57 WeakPolarHBondContact O-CB 3.44Å; C53-E57 PolarHBondContact O-N 3.24Å; C53-F69 HydrophobicContact CB-CD2 4.06Å; C53-F69 HydrophobicContact CB-CE1 4.48Å; C53-F69 HydrophobicContact CB-CE2 3.29Å; C53-F69 HydrophobicContact CB-CZ 3.54Å; C53-I126 HydrophobicContact CB-CG2 3.6Å |
| 54 | A | 95.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | G50 S51 C52 E57 S58 F69 I227 C290 W292 | G50-A54 WeakPolarHBondContact O-CB 3.37Å; G50-A54 PolarHBondContact O-N 3.42Å; S51-A54 PolarHBondContact O-N 2.83Å; C52-A54 PolarHBondContact O-N 3.41Å; A54-E57 PolarHBondContact O-N 3.4Å; A54-S58 WeakPolarHBondContact O-CB 3.32Å; A54-S58 PolarHBondContact O-N 3.26Å; A54-F69 HydrophobicContact CB-CE1 4.29Å; A54-I227 HydrophobicContact CB-CD1 4.39Å; A54-C290 PolarHBondContact O-SG 3.41Å; A54-W292 HydrophobicContact CB-CB 3.97Å; A54-W292 HydrophobicContact CB-CD2 4.04Å; A54-W292 HydrophobicContact CB-CE3 4.04Å; A54-W292 HydrophobicContact CB-CG 4Å |
| 55 | F | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 173.4 | -72.2 | -52.7 | 0 | 0 | 0 | 112.1 | S51 C52 C53 E57 S58 I59 L225 I227 Q232 N235 A236 A239 I287 C290 | S51-F55 WeakPolarHBondContact O-CD2 2.87Å; S51-F55 WeakPolarHBondContact O-CG 3.26Å; S51-F55 PolarHBondContact O-N 3.02Å; C52-F55 PolarHBondContact O-N 3.36Å; C53-F55 VanDerWaalsContact C-N 3.34Å; C53-F55 PolarHBondContact O-N 2.89Å; F55-E57 VanDerWaalsContact C-N 3.35Å; F55-E57 PolarHBondContact O-N 3.48Å; F55-S58 PolarHBondContact O-N 3.16Å; F55-I59 WeakPolarHBondContact O-CB 3.47Å; F55-I59 WeakPolarHBondContact O-CD1 3.43Å; F55-I59 WeakPolarHBondContact O-CG1 3.44Å; F55-I59 PolarHBondContact O-N 3.08Å; F55-L225 HydrophobicContact CZ-CD1 4.46Å; F55-I227 HydrophobicContact CD2-CD1 4.48Å; F55-I227 HydrophobicContact CE1-CB 4.33Å; F55-I227 HydrophobicContact CE1-CD1 4.12Å; F55-I227 HydrophobicContact CE1-CG1 4.03Å; F55-I227 HydrophobicContact CE2-CB 4.46Å; F55-I227 HydrophobicContact CE2-CD1 4Å; F55-I227 HydrophobicContact CZ-CB 3.74Å; F55-I227 HydrophobicContact CZ-CD1 3.81Å; F55-I227 HydrophobicContact CZ-CG1 3.84Å; F55-Q232 HydrophobicContact CE2-CB 4.33Å; F55-Q232 HydrophobicContact CZ-CB 4.36Å; F55-N235 HydrophobicContact CD2-CB 4.33Å; F55-N235 HydrophobicContact CE2-CB 4.23Å; F55-A236 HydrophobicContact CD2-CB 4.16Å; F55-A236 HydrophobicContact CE2-CB 4.03Å; F55-A236 HydrophobicContact CZ-CB 4.29Å; F55-A239 HydrophobicContact CB-CB 3.33Å; F55-A239 HydrophobicContact CG-CB 4.35Å; F55-I287 HydrophobicContact CD1-CB 4.47Å; F55-I287 HydrophobicContact CD1-CG2 3.75Å; F55-I287 HydrophobicContact CE1-CG2 3.66Å; F55-I287 HydrophobicContact CZ-CG2 4.43Å; F55-C290 HydrophobicContact CD1-CB 3.47Å; F55-C290 VanDerWaalsContact CD1-CB 3.47Å; F55-C290 WeakPolarHBondContact CD1-SG 3.47Å; F55-C290 HydrophobicContact CE1-CB 3.67Å |
| 56 | V | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 176 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | V41 C52 C53 I59 L60 I126 A239 L242 A243 | V41-V56 HydrophobicContact CG1-CG1 4.24Å; V41-V56 HydrophobicContact CG2-CG1 4.31Å; C52-V56 WeakPolarHBondContact O-CG2 3.38Å; C52-V56 PolarHBondContact O-N 3.45Å; C53-V56 PolarHBondContact O-N 2.89Å; V56-I59 PolarHBondContact O-N 3.4Å; V56-L60 HydrophobicContact CG1-CD1 3.79Å; V56-L60 HydrophobicContact CG1-CG 4.31Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 3.46Å; V56-I126 HydrophobicContact CB-CG1 4.41Å; V56-I126 HydrophobicContact CG1-CG1 3.79Å; V56-A239 HydrophobicContact CG2-CB 3.7Å; V56-L242 HydrophobicContact CG2-CB 3.95Å; V56-L242 HydrophobicContact CG2-CD1 4.15Å; V56-A243 HydrophobicContact CG1-CB 4.46Å |
| 57 | E | 95.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.3 | -51.4 | 177.6 | -168.8 | -69.6 | 145.3 | 0 | 0 | 110.9 | C53 A54 F55 I59 L60 R61 T67 F69 G86 I126 | C53-E57 WeakPolarHBondContact O-CB 3.44Å; C53-E57 PolarHBondContact O-N 3.24Å; A54-E57 PolarHBondContact O-N 3.4Å; F55-E57 VanDerWaalsContact C-N 3.35Å; F55-E57 PolarHBondContact O-N 3.48Å; E57-I59 VanDerWaalsContact C-N 3.32Å; E57-I59 PolarHBondContact O-N 2.96Å; E57-L60 PolarHBondContact O-N 2.87Å; E57-R61 VanDerWaalsContact CD-NE 3.34Å; E57-R61 WeakPolarHBondContact O-CB 3.08Å; E57-R61 PolarHBondContact O-N 3.07Å; E57-R61 VanDerWaalsContact OE1-CD 3.23Å; E57-R61 WeakPolarHBondContact OE1-CD 3.4Å; E57-R61 IonicContact OE1-CZ 3.19Å; E57-R61 IonicContact OE1-NE 2.63Å; E57-R61 PolarHBondContact OE1-NE 2.94Å; E57-R61 IonicContact OE2-CZ 3.46Å; E57-R61 IonicContact OE2-NE 3.28Å; E57-R61 PolarHBondContact OE2-NE 3.28Å; E57-R61 VanDerWaalsContact OE2-NE 3.09Å; E57-R61 IonicContact OE2-NH2 3.07Å; E57-R61 PolarHBondContact OE2-NH2 3.15Å; E57-T67 HydrophobicContact CG-CG2 4.48Å; E57-T67 PolarHBondContact OE1-OG1 3.33Å; E57-F69 HydrophobicContact CB-CD1 4.35Å; E57-F69 HydrophobicContact CG-CB 3.9Å; E57-F69 HydrophobicContact CG-CD1 4.19Å; E57-F69 HydrophobicContact CG-CG 4.36Å; E57-G86 PolarHBondContact OE1-N 3.04Å; E57-G86 VanDerWaalsContact OE1-N 3.07Å; E57-I126 HydrophobicContact CB-CD1 4.35Å; E57-I126 HydrophobicContact CG-CD1 4.48Å |
| 58 | S | 92.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 20.9 Ų | 20.9 | 6% | 0.056 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | A54 F55 S62 L286 | A54-S58 WeakPolarHBondContact O-CB 3.32Å; A54-S58 PolarHBondContact O-N 3.26Å; F55-S58 PolarHBondContact O-N 3.16Å; S58-S62 WeakPolarHBondContact O-CB 3.44Å; S58-S62 PolarHBondContact O-N 3.18Å; S58-S62 PolarHBondContact O-OG 2.98Å; S58-L286 PolarHBondContact OG-O 3.13Å |
| 59 | I | 90.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -52.5 | 177.9 | -72.7 | 165.5 | 0 | 0 | 0 | 111.2 | F55 V56 E57 S62 Q63 A243 F283 I287 | F55-I59 WeakPolarHBondContact O-CB 3.47Å; F55-I59 WeakPolarHBondContact O-CD1 3.43Å; F55-I59 WeakPolarHBondContact O-CG1 3.44Å; F55-I59 PolarHBondContact O-N 3.08Å; V56-I59 PolarHBondContact O-N 3.4Å; E57-I59 VanDerWaalsContact C-N 3.32Å; E57-I59 PolarHBondContact O-N 2.96Å; I59-S62 PolarHBondContact O-OG 2.65Å; I59-Q63 WeakPolarHBondContact O-CG 3.38Å; I59-Q63 PolarHBondContact O-N 3.24Å; I59-A243 HydrophobicContact CB-CB 4.15Å; I59-A243 HydrophobicContact CD1-CB 4.35Å; I59-A243 HydrophobicContact CG2-CB 3.49Å; I59-A243 VanDerWaalsContact CG2-CB 3.49Å; I59-F283 HydrophobicContact CG2-CD1 3.36Å; I59-F283 HydrophobicContact CG2-CE1 3.45Å; I59-F283 VanDerWaalsContact CG2-CE1 3.45Å; I59-I287 HydrophobicContact CD1-CD1 3.98Å; I59-I287 HydrophobicContact CD1-CG1 3.76Å; I59-I287 HydrophobicContact CG1-CG1 3.91Å |
| 60 | L | 92.6 | Very high | 94 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.9 | -41.2 | -174 | -66.8 | 178.9 | 0 | 0 | 0 | 111.6 | V56 E57 S62 Q63 F65 T67 V124 A243 W246 I256 | V56-L60 HydrophobicContact CG1-CD1 3.79Å; V56-L60 HydrophobicContact CG1-CG 4.31Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 3.46Å; E57-L60 PolarHBondContact O-N 2.87Å; L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 2.76Å; L60-Q63 PolarHBondContact O-N 3.39Å; L60-F65 HydrophobicContact CB-CB 4.49Å; L60-F65 HydrophobicContact CB-CD2 4.23Å; L60-F65 HydrophobicContact CD2-CD2 4.16Å; L60-F65 HydrophobicContact CD2-CE2 4.48Å; L60-F65 WeakPolarHBondContact O-CB 3.19Å; L60-F65 VanDerWaalsContact O-CD2 3.32Å; L60-F65 WeakPolarHBondContact O-CD2 3.46Å; L60-F65 PolarHBondContact O-N 3.44Å; L60-T67 HydrophobicContact CB-CG2 4.03Å; L60-V124 HydrophobicContact CB-CG1 4.29Å; L60-V124 HydrophobicContact CD1-CB 4.31Å; L60-V124 HydrophobicContact CD1-CG1 3.9Å; L60-V124 HydrophobicContact CD1-CG2 3.77Å; L60-A243 HydrophobicContact CD2-CB 3.88Å; L60-A243 HydrophobicContact CG-CB 4.06Å; L60-W246 HydrophobicContact CD1-CD2 4.08Å; L60-W246 HydrophobicContact CD1-CE3 3.86Å; L60-W246 HydrophobicContact CD1-CG 4.47Å; L60-W246 HydrophobicContact CD1-CZ3 4.35Å; L60-W246 HydrophobicContact CD2-CE3 3.61Å; L60-W246 HydrophobicContact CD2-CZ3 3.95Å; L60-W246 HydrophobicContact CG-CE3 4.4Å; L60-I256 HydrophobicContact CD2-CD1 3.85Å |
| 61 | R | 91.6 | Very high | 94 | Very high | 96 Ų | 96 | 19.3 Ų | 19.3 | 36% | 0.362 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 177.2 | 175.6 | 163.2 | 53 | 86.2 | 3.3 | 112.6 | E57 Q63 G64 F65 T67 N85 | E57-R61 VanDerWaalsContact CD-NE 3.34Å; E57-R61 WeakPolarHBondContact O-CB 3.08Å; E57-R61 PolarHBondContact O-N 3.07Å; E57-R61 VanDerWaalsContact OE1-CD 3.23Å; E57-R61 WeakPolarHBondContact OE1-CD 3.4Å; E57-R61 IonicContact OE1-CZ 3.19Å; E57-R61 IonicContact OE1-NE 2.63Å; E57-R61 PolarHBondContact OE1-NE 2.94Å; E57-R61 IonicContact OE2-CZ 3.46Å; E57-R61 IonicContact OE2-NE 3.28Å; E57-R61 PolarHBondContact OE2-NE 3.28Å; E57-R61 VanDerWaalsContact OE2-NE 3.09Å; E57-R61 IonicContact OE2-NH2 3.07Å; E57-R61 PolarHBondContact OE2-NH2 3.15Å; R61-Q63 PolarHBondContact O-N 2.95Å; R61-G64 WeakPolarHBondContact O-CA 3.18Å; R61-G64 PolarHBondContact O-N 3.42Å; R61-F65 WeakPolarHBondContact CA-O 3.45Å; R61-T67 HydrophobicContact CB-CG2 3.76Å; R61-N85 VanDerWaalsContact CD-CA 3.47Å; R61-N85 VanDerWaalsContact CD-O 3.25Å; R61-N85 WeakPolarHBondContact CD-O 3.39Å |
| 62 | S | 86.1 | Confident | 93.7 | Very high | 42 Ų | 42 | 20.6 Ų | 20.6 | 29% | 0.294 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -73.5 | -12.3 | 179.5 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | S58 I59 L60 L286 | S58-S62 WeakPolarHBondContact O-CB 3.44Å; S58-S62 PolarHBondContact O-N 3.18Å; S58-S62 PolarHBondContact O-OG 2.98Å; I59-S62 PolarHBondContact O-OG 2.65Å; L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 2.76Å; S62-L286 WeakPolarHBondContact OG-CD1 3.33Å; S62-L286 WeakPolarHBondContact OG-CD2 3.3Å |
| 63 | Q | 85.4 | Confident | 93.2 | Very high | 34 Ų | 34 | 22.6 Ų | 22.6 | 16% | 0.159 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.7 | 164.6 | -59.4 | -52 | -31.3 | 0 | 0 | 112.9 | I59 L60 R61 F65 I256 F283 | I59-Q63 WeakPolarHBondContact O-CG 3.38Å; I59-Q63 PolarHBondContact O-N 3.24Å; L60-Q63 PolarHBondContact O-N 3.39Å; R61-Q63 PolarHBondContact O-N 2.95Å; Q63-F65 HydrophobicContact CB-CD2 3.9Å; Q63-F65 HydrophobicContact CB-CE2 3.77Å; Q63-I256 HydrophobicContact CG-CD1 4.41Å; Q63-F283 HydrophobicContact CG-CE1 4.15Å; Q63-F283 HydrophobicContact CG-CZ 4.23Å |
| 64 | G | 89.2 | Confident | 92.5 | Very high | 67 Ų | 67 | 24.1 Ų | 24.1 | 69% | 0.691 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | 3.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R61 | R61-G64 WeakPolarHBondContact O-CA 3.18Å; R61-G64 PolarHBondContact O-N 3.42Å |
| 65 | F | 94.2 | Very high | 91.8 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 9% | 0.088 | 14% | 0.135 | C | C | . | . | trans | -71.3 | 139.4 | 173.1 | -63 | -65.4 | 0 | 0 | 0 | 110.6 | L60 R61 Q63 T67 D123 V124 W246 N252 I256 | L60-F65 HydrophobicContact CB-CB 4.49Å; L60-F65 HydrophobicContact CB-CD2 4.23Å; L60-F65 HydrophobicContact CD2-CD2 4.16Å; L60-F65 HydrophobicContact CD2-CE2 4.48Å; L60-F65 WeakPolarHBondContact O-CB 3.19Å; L60-F65 VanDerWaalsContact O-CD2 3.32Å; L60-F65 WeakPolarHBondContact O-CD2 3.46Å; L60-F65 PolarHBondContact O-N 3.44Å; R61-F65 WeakPolarHBondContact CA-O 3.45Å; Q63-F65 HydrophobicContact CB-CD2 3.9Å; Q63-F65 HydrophobicContact CB-CE2 3.77Å; F65-T67 PolarHBondContact O-N 3.27Å; F65-D123 HydrophobicContact CB-CB 4.27Å; F65-D123 HydrophobicContact CD1-CB 4.13Å; F65-V124 HydrophobicContact CB-CG1 4.4Å; F65-W246 AromaticContact CD1-CH2 3.98Å; F65-W246 HydrophobicContact CD1-CH2 3.98Å; F65-W246 HydrophobicContact CD1-CZ3 4.15Å; F65-W246 HydrophobicContact CD2-CH2 4.48Å; F65-W246 AromaticContact CD2-CZ3 3.93Å; F65-W246 HydrophobicContact CD2-CZ3 3.93Å; F65-W246 HydrophobicContact CE1-CH2 4.2Å; F65-W246 HydrophobicContact CE1-CZ3 4.16Å; F65-W246 AromaticContact CE2-CZ3 3.94Å; F65-W246 HydrophobicContact CE2-CZ3 3.94Å; F65-W246 HydrophobicContact CG-CH2 4.16Å; F65-W246 HydrophobicContact CG-CZ3 4.07Å; F65-W246 HydrophobicContact CZ-CZ3 4.09Å; F65-N252 HydrophobicContact CE1-CB 4.09Å; F65-N252 WeakPolarHBondContact CE1-ND2 3.45Å; F65-N252 HydrophobicContact CZ-CB 3.64Å; F65-I256 HydrophobicContact CE2-CD1 4.43Å | ||
| 66 | R | 96.7 | Very high | 91.1 | Very high | 103 Ų | 103 | 25.5 Ų | 25.5 | 39% | 0.389 | 14% | 0.141 | S | C | . | . | trans | -76 | 106.8 | 169.6 | -166.2 | 176.2 | -177 | 164.5 | -3.8 | 108.9 | V84 N85 S120 I122 D123 V124 | R66-V84 HydrophobicContact CG-CG1 4.35Å; R66-N85 VanDerWaalsContact CA-OD1 3.29Å; R66-N85 WeakPolarHBondContact CA-OD1 3.48Å; R66-N85 WeakPolarHBondContact CG-OD1 3.24Å; R66-S120 PolarHBondContact NE-O 3.16Å; R66-S120 PolarHBondContact NH1-O 2.83Å; R66-S120 PolarHBondContact NH2-O 2.99Å; R66-I122 HydrophobicContact CG-CG2 4.23Å; R66-I122 CarbonylContact O-C 3.48Å; R66-I122 WeakPolarHBondContact O-CB 3.24Å; R66-D123 WeakPolarHBondContact CB-OD2 3.4Å; R66-D123 PolarHBondContact N-OD2 2.85Å; R66-D123 PolarHBondContact O-N 2.88Å; R66-V124 PolarHBondContact O-N 3.17Å | ||
| 67 | T | 98.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 142.1 | -175.3 | 53.1 | 0 | 0 | 0 | 0 | 111 | E57 L60 R61 F65 V84 N85 V124 I126 | E57-T67 HydrophobicContact CG-CG2 4.48Å; E57-T67 PolarHBondContact OE1-OG1 3.33Å; L60-T67 HydrophobicContact CB-CG2 4.03Å; R61-T67 HydrophobicContact CB-CG2 3.76Å; F65-T67 PolarHBondContact O-N 3.27Å; T67-V84 CarbonylContact O-C 3.48Å; T67-V84 VanDerWaalsContact O-CA 3.23Å; T67-V84 WeakPolarHBondContact O-CA 3.23Å; T67-N85 PolarHBondContact N-OD1 2.97Å; T67-N85 VanDerWaalsContact N-OD1 3.13Å; T67-N85 PolarHBondContact O-N 3.22Å; T67-N85 WeakPolarHBondContact OG1-CA 3.45Å; T67-N85 PolarHBondContact OG1-N 3.14Å; T67-V124 HydrophobicContact CG2-CG1 3.75Å; T67-I126 HydrophobicContact CG2-CD1 4.2Å |
| 68 | G | 98.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.8 | 159 | 0 | 0 | 0 | 0 | 0 | 109.2 | R83 V124 A125 I126 | G68-R83 CarbonylContact C-O 3.53Å; G68-R83 VanDerWaalsContact CA-O 3.29Å; G68-R83 WeakPolarHBondContact CA-O 3.39Å; G68-V124 PolarHBondContact N-O 2.94Å; G68-A125 CarbonylContact O-C 3.55Å; G68-A125 WeakPolarHBondContact O-CA 3.47Å; G68-I126 WeakPolarHBondContact O-CD1 3.33Å; G68-I126 PolarHBondContact O-N 3.02Å |
| 69 | F | 98.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 119.6 | 178.8 | 174 | -156.5 | 0 | 0 | 0 | 110.5 | C53 A54 E57 R83 F117 I126 E128 W292 | C53-F69 HydrophobicContact CB-CD2 4.06Å; C53-F69 HydrophobicContact CB-CE1 4.48Å; C53-F69 HydrophobicContact CB-CE2 3.29Å; C53-F69 HydrophobicContact CB-CZ 3.54Å; A54-F69 HydrophobicContact CB-CE1 4.29Å; E57-F69 HydrophobicContact CB-CD1 4.35Å; E57-F69 HydrophobicContact CG-CB 3.9Å; E57-F69 HydrophobicContact CG-CD1 4.19Å; E57-F69 HydrophobicContact CG-CG 4.36Å; F69-R83 HydrophobicContact CB-CB 4.28Å; F69-R83 PolarHBondContact N-O 3.49Å; F69-R83 PolarHBondContact O-N 3.2Å; F69-F117 VanDerWaalsContact C-CZ 3.5Å; F69-I126 WeakPolarHBondContact CA-O 3.4Å; F69-I126 HydrophobicContact CD2-CB 4.29Å; F69-I126 HydrophobicContact CD2-CG2 4.17Å; F69-E128 HydrophobicContact CE2-CB 4.49Å; F69-W292 HydrophobicContact CD1-CH2 4.43Å; F69-W292 HydrophobicContact CD1-CZ3 4.16Å; F69-W292 AromaticContact CE1-CE3 3.94Å; F69-W292 HydrophobicContact CE1-CE3 3.94Å; F69-W292 AromaticContact CE1-CH2 3.45Å; F69-W292 HydrophobicContact CE1-CH2 3.45Å; F69-W292 VanDerWaalsContact CE1-CH2 3.45Å; F69-W292 HydrophobicContact CE1-CZ2 4.19Å; F69-W292 AromaticContact CE1-CZ3 3.3Å; F69-W292 HydrophobicContact CE1-CZ3 3.3Å; F69-W292 AromaticContact CZ-CH2 3.63Å; F69-W292 HydrophobicContact CZ-CH2 3.63Å; F69-W292 AromaticContact CZ-CZ2 4Å; F69-W292 HydrophobicContact CZ-CZ2 4Å; F69-W292 AromaticContact CZ-CZ3 3.96Å; F69-W292 HydrophobicContact CZ-CZ3 3.96Å |
| 70 | Y | 97.5 | Very high | 89.5 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.7 | 173 | -177.9 | -109.6 | 0 | 0 | 0 | 111.4 | R81 F82 T110 A113 I126 I127 E128 T138 | Y70-R81 VanDerWaalsContact CA-O 3.26Å; Y70-R81 WeakPolarHBondContact CA-O 3.16Å; Y70-R81 VanDerWaalsContact CD2-O 3.29Å; Y70-R81 WeakPolarHBondContact CD2-O 3.21Å; Y70-R81 HydrophobicContact CE2-CB 4.41Å; Y70-F82 HydrophobicContact CD2-CD1 4.35Å; Y70-F82 HydrophobicContact CD2-CE1 4.34Å; Y70-F82 HydrophobicContact CE2-CE1 4.12Å; Y70-F82 HydrophobicContact CE2-CZ 4.4Å; Y70-T110 PolarHBondContact OH-OG1 3.18Å; Y70-A113 HydrophobicContact CD2-CB 3.36Å; Y70-A113 HydrophobicContact CE2-CB 3.82Å; Y70-A113 HydrophobicContact CG-CB 3.9Å; Y70-I126 PolarHBondContact N-O 3.15Å; Y70-I127 HydrophobicContact CD1-CG2 4.27Å; Y70-E128 VanDerWaalsContact O-CB 3.25Å; Y70-E128 WeakPolarHBondContact O-CB 3.45Å; Y70-E128 PolarHBondContact O-N 2.91Å; Y70-T138 HydrophobicContact CD1-CG2 4.27Å; Y70-T138 HydrophobicContact CE1-CG2 4.06Å |
| 71 | S | 93.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | trans | -133.9 | 163.5 | -177.9 | 72 | 0 | 0 | 0 | 0 | 113.7 | R81 E128 W292 | S71-R81 PolarHBondContact N-O 2.88Å; S71-R81 WeakPolarHBondContact O-CB 3.22Å; S71-R81 WeakPolarHBondContact O-CD 3.44Å; S71-R81 VanDerWaalsContact O-CG 3.28Å; S71-R81 WeakPolarHBondContact O-CG 3.35Å; S71-E128 WeakPolarHBondContact CA-OE2 3.32Å; S71-E128 VanDerWaalsContact CB-OE2 3.28Å; S71-E128 WeakPolarHBondContact CB-OE2 3.36Å; S71-W292 WeakPolarHBondContact OG-CH2 2.69Å | ||
| 72 | S | 88.8 | Confident | 89.6 | Confident | 31 Ų | 31 | 26.7 Ų | 26.7 | 22% | 0.217 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -158 | 153.8 | 169.6 | 72.7 | 0 | 0 | 0 | 0 | 113.9 | E128 | S72-E128 PolarHBondContact N-OE2 3.32Š|
| 73 | P | 85.5 | Confident | 90.1 | Very high | 42 Ų | 42 | 25.7 Ų | 25.7 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | S | Bend | cis | -75 | 175.2 | -11.5 | 34.7 | -34.7 | 0 | 0 | 0 | 111.7 | L486 Y487 | P73-L486 HydrophobicContact CG-CD2 4.07Å; P73-Y487 WeakPolarHBondContact CB-OH 3.36Å |
| 74 | H | 83 | Confident | 90.7 | Very high | 31 Ų | 31 | 25 Ų | 25 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | trans | -80.8 | 155.9 | 167 | 51.6 | -107.8 | 0 | 0 | 0 | 110.2 | S77 V78 E80 R81 Y487 | H74-S77 VanDerWaalsContact CB-O 3.28Å; H74-S77 WeakPolarHBondContact CB-O 3.14Å; H74-V78 WeakPolarHBondContact ND1-CA 3.42Å; H74-E80 WeakPolarHBondContact CA-OE1 3.39Å; H74-E80 VanDerWaalsContact CB-CD 3.5Å; H74-E80 HydrophobicContact CB-CG 3.67Å; H74-R81 HydrophobicContact CB-CG 3.96Å; H74-R81 PolarHBondContact CE1-NH2 2.84Å; H74-R81 VanDerWaalsContact N-NE 3.15Å; H74-R81 PolarHBondContact ND1-NE 3.33Å; H74-R81 PolarHBondContact ND1-NH2 3.15Å; H74-R81 VanDerWaalsContact ND1-NH2 3.13Å; H74-Y487 VanDerWaalsContact O-CE1 3.3Å; H74-Y487 WeakPolarHBondContact O-CE1 3.5Å | ||
| 75 | I | 80.7 | Confident | 91 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -97.6 | -48.4 | -177.9 | -56.5 | -174.8 | 0 | 0 | 0 | 110 | E80 P293 L486 L493 | I75-E80 WeakPolarHBondContact CB-OE1 3.29Å; I75-E80 WeakPolarHBondContact CG1-OE1 3.1Å; I75-E80 PolarHBondContact N-OE1 3.36Å; I75-E80 PolarHBondContact N-OE2 3.3Å; I75-P293 HydrophobicContact CD1-CB 4.21Å; I75-P293 WeakPolarHBondContact CD1-O 3.44Å; I75-L486 HydrophobicContact CD1-CD1 3.72Å; I75-L486 HydrophobicContact CD1-CD2 4.27Å; I75-L486 HydrophobicContact CD1-CG 4.09Å; I75-L486 HydrophobicContact CG1-CD1 3.95Å; I75-L486 HydrophobicContact CG1-CD2 3.8Å; I75-L486 HydrophobicContact CG1-CG 3.73Å; I75-L493 HydrophobicContact CG2-CD1 4Å |
| 76 | L | 79.1 | Confident | 90.9 | Very high | 27 Ų | 27 | 24.9 Ų | 24.9 | 14% | 0.141 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -120.6 | -54 | 178.5 | -76.1 | -176.1 | 0 | 0 | 0 | 112.1 | E80 G490 L493 L500 | L76-E80 PolarHBondContact N-OE2 3.49Å; L76-G490 WeakPolarHBondContact CD2-O 3.49Å; L76-L493 HydrophobicContact CD1-CB 4.11Å; L76-L500 HydrophobicContact CB-CD1 4.25Å; L76-L500 HydrophobicContact CD1-CD1 4.3Å; L76-L500 HydrophobicContact CD1-CD2 3.55Å; L76-L500 HydrophobicContact CD1-CG 3.9Å; L76-L500 HydrophobicContact CG-CD2 4.18Å |
| 77 | S | 82.1 | Confident | 90.7 | Very high | 25 Ų | 25 | 24.6 Ų | 24.6 | 18% | 0.175 | 14% | 0.135 | C | C | . | . | trans | -124.6 | 132.5 | -170.1 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | H74 R79 E80 | H74-S77 VanDerWaalsContact CB-O 3.28Å; H74-S77 WeakPolarHBondContact CB-O 3.14Å; S77-R79 PolarHBondContact O-N 3.29Å; S77-R79 PolarHBondContact OG-N 2.82Å; S77-E80 PolarHBondContact N-OE2 2.85Å; S77-E80 WeakPolarHBondContact O-CB 3.3Å; S77-E80 WeakPolarHBondContact O-CG 3.42Å; S77-E80 PolarHBondContact O-N 3.27Å; S77-E80 VanDerWaalsContact O-OE2 3.13Å | ||
| 78 | V | 84.6 | Confident | 90.4 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 4% | 0.036 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -54.6 | -28.1 | 174.7 | 67.4 | 0 | 0 | 0 | 0 | 113.6 | H74 E80 R81 F82 F94 L109 F405 | H74-V78 WeakPolarHBondContact ND1-CA 3.42Å; V78-E80 PolarHBondContact O-N 3.22Å; V78-R81 WeakPolarHBondContact O-CB 3.1Å; V78-R81 WeakPolarHBondContact O-CG 3.35Å; V78-R81 PolarHBondContact O-N 3.11Å; V78-F82 HydrophobicContact CG2-CE2 4.38Å; V78-F82 WeakPolarHBondContact O-CD2 3.44Å; V78-F82 WeakPolarHBondContact O-CE2 3.15Å; V78-F94 HydrophobicContact CB-CZ 4.48Å; V78-F94 HydrophobicContact CG1-CE1 3.99Å; V78-F94 HydrophobicContact CG1-CE2 3.88Å; V78-F94 HydrophobicContact CG1-CZ 3.51Å; V78-F94 HydrophobicContact CG2-CE2 4.25Å; V78-F94 HydrophobicContact CG2-CZ 4.15Å; V78-L109 HydrophobicContact CG2-CD1 3.98Å; V78-L109 HydrophobicContact CG2-CD2 3.78Å; V78-F405 HydrophobicContact CB-CE2 4.33Å; V78-F405 HydrophobicContact CG1-CD2 4.09Å; V78-F405 HydrophobicContact CG1-CE2 3.75Å; V78-F405 HydrophobicContact CG2-CE2 4.3Å |
| 79 | R | 88.1 | Confident | 90.2 | Very high | 68 Ų | 68 | 27 Ų | 27 | 26% | 0.257 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -62.1 | -28.5 | 177.8 | -63.6 | -170.3 | -66.3 | 113 | -6 | 112.5 | S77 R81 F82 P88 I89 F94 | S77-R79 PolarHBondContact O-N 3.29Å; S77-R79 PolarHBondContact OG-N 2.82Å; R79-R81 PolarHBondContact O-N 2.89Å; R79-R81 VanDerWaalsContact O-N 3.1Å; R79-F82 PolarHBondContact O-N 3.22Å; R79-F82 VanDerWaalsContact O-O 3.13Å; R79-P88 HydrophobicContact CB-CB 4.48Å; R79-I89 HydrophobicContact CB-CG2 3.73Å; R79-I89 WeakPolarHBondContact CD-O 3.17Å; R79-I89 HydrophobicContact CG-CG2 3.95Å; R79-I89 PolarHBondContact NH1-O 3.28Å; R79-F94 HydrophobicContact CG-CB 4.08Å; R79-F94 HydrophobicContact CG-CD2 4.04Å; R79-F94 HydrophobicContact CG-CG 3.93Å |
| 80 | E | 86.5 | Confident | 90 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -64.3 | -18.8 | -179.2 | 84.6 | -169.6 | -133.1 | 0 | 0 | 113.3 | H74 I75 L76 S77 V78 F82 R83 | H74-E80 WeakPolarHBondContact CA-OE1 3.39Å; H74-E80 VanDerWaalsContact CB-CD 3.5Å; H74-E80 HydrophobicContact CB-CG 3.67Å; I75-E80 WeakPolarHBondContact CB-OE1 3.29Å; I75-E80 WeakPolarHBondContact CG1-OE1 3.1Å; I75-E80 PolarHBondContact N-OE1 3.36Å; I75-E80 PolarHBondContact N-OE2 3.3Å; L76-E80 PolarHBondContact N-OE2 3.49Å; S77-E80 PolarHBondContact N-OE2 2.85Å; S77-E80 WeakPolarHBondContact O-CB 3.3Å; S77-E80 WeakPolarHBondContact O-CG 3.42Å; S77-E80 PolarHBondContact O-N 3.27Å; S77-E80 VanDerWaalsContact O-OE2 3.13Å; V78-E80 PolarHBondContact O-N 3.22Å; E80-F82 PolarHBondContact O-N 2.76Å; E80-R83 PolarHBondContact O-NE 3.05Å; E80-R83 VanDerWaalsContact O-NE 3.08Å |
| 81 | R | 91.7 | Very high | 89.6 | Confident | 34 Ų | 34 | 34.8 Ų | 34.8 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -71.5 | -13.2 | 174.7 | -60.4 | -168.6 | -178.7 | -163.6 | 9.2 | 113.1 | Y70 S71 H74 V78 R79 | Y70-R81 VanDerWaalsContact CA-O 3.26Å; Y70-R81 WeakPolarHBondContact CA-O 3.16Å; Y70-R81 VanDerWaalsContact CD2-O 3.29Å; Y70-R81 WeakPolarHBondContact CD2-O 3.21Å; Y70-R81 HydrophobicContact CE2-CB 4.41Å; S71-R81 PolarHBondContact N-O 2.88Å; S71-R81 WeakPolarHBondContact O-CB 3.22Å; S71-R81 WeakPolarHBondContact O-CD 3.44Å; S71-R81 VanDerWaalsContact O-CG 3.28Å; S71-R81 WeakPolarHBondContact O-CG 3.35Å; H74-R81 HydrophobicContact CB-CG 3.96Å; H74-R81 PolarHBondContact CE1-NH2 2.84Å; H74-R81 VanDerWaalsContact N-NE 3.15Å; H74-R81 PolarHBondContact ND1-NE 3.33Å; H74-R81 PolarHBondContact ND1-NH2 3.15Å; H74-R81 VanDerWaalsContact ND1-NH2 3.13Å; V78-R81 WeakPolarHBondContact O-CB 3.1Å; V78-R81 WeakPolarHBondContact O-CG 3.35Å; V78-R81 PolarHBondContact O-N 3.11Å; R79-R81 PolarHBondContact O-N 2.89Å; R79-R81 VanDerWaalsContact O-N 3.1Å |
| 82 | F | 95.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 99.2 | -174.3 | -51.6 | -93.3 | 0 | 0 | 0 | 107.8 | Y70 V78 R79 E80 P88 I89 F94 L109 M112 A113 F116 | Y70-F82 HydrophobicContact CD2-CD1 4.35Å; Y70-F82 HydrophobicContact CD2-CE1 4.34Å; Y70-F82 HydrophobicContact CE2-CE1 4.12Å; Y70-F82 HydrophobicContact CE2-CZ 4.4Å; V78-F82 HydrophobicContact CG2-CE2 4.38Å; V78-F82 WeakPolarHBondContact O-CD2 3.44Å; V78-F82 WeakPolarHBondContact O-CE2 3.15Å; R79-F82 PolarHBondContact O-N 3.22Å; R79-F82 VanDerWaalsContact O-O 3.13Å; E80-F82 PolarHBondContact O-N 2.76Å; F82-P88 CarbonylContact O-C 3.55Å; F82-P88 VanDerWaalsContact O-CA 3.32Å; F82-P88 WeakPolarHBondContact O-CA 3.44Å; F82-I89 HydrophobicContact CB-CB 4.01Å; F82-I89 HydrophobicContact CB-CG2 3.74Å; F82-I89 HydrophobicContact CD2-CG2 4.2Å; F82-I89 HydrophobicContact CG-CG2 4.26Å; F82-I89 PolarHBondContact O-N 2.86Å; F82-F94 HydrophobicContact CD2-CD2 4.43Å; F82-F94 HydrophobicContact CD2-CE2 4.31Å; F82-F94 HydrophobicContact CE2-CD2 4.31Å; F82-F94 AromaticContact CE2-CE2 3.77Å; F82-F94 HydrophobicContact CE2-CE2 3.77Å; F82-F94 HydrophobicContact CZ-CE2 4.37Å; F82-L109 WeakPolarHBondContact CE1-O 3.24Å; F82-L109 HydrophobicContact CE2-CD2 4.07Å; F82-L109 HydrophobicContact CZ-CB 3.91Å; F82-L109 HydrophobicContact CZ-CD2 3.73Å; F82-L109 HydrophobicContact CZ-CG 4.38Å; F82-L109 WeakPolarHBondContact CZ-O 3.31Å; F82-M112 HydrophobicContact CE1-CB 3.84Å; F82-M112 HydrophobicContact CZ-CB 4.21Å; F82-A113 HydrophobicContact CD1-CB 3.74Å; F82-A113 HydrophobicContact CE1-CB 3.71Å; F82-F116 HydrophobicContact CB-CD1 3.92Å; F82-F116 HydrophobicContact CB-CE1 4.04Å |
| 83 | R | 96.2 | Very high | 89.9 | Confident | 22 Ų | 22 | 42.9 Ų | 42.9 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135 | -179.7 | -60.7 | 179.7 | -177.4 | -142.1 | 2.6 | 110.7 | G68 F69 E80 V87 P88 | G68-R83 CarbonylContact C-O 3.53Å; G68-R83 VanDerWaalsContact CA-O 3.29Å; G68-R83 WeakPolarHBondContact CA-O 3.39Å; F69-R83 HydrophobicContact CB-CB 4.28Å; F69-R83 PolarHBondContact N-O 3.49Å; F69-R83 PolarHBondContact O-N 3.2Å; E80-R83 PolarHBondContact O-NE 3.05Å; E80-R83 VanDerWaalsContact O-NE 3.08Å; R83-V87 CarbonylContact C-O 3.34Å; R83-V87 VanDerWaalsContact CA-O 3.22Å; R83-V87 WeakPolarHBondContact CA-O 3.44Å; R83-P88 HydrophobicContact CG-CG 4.47Å |
| 84 | V | 97.9 | Very high | 90.2 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.5 | 163.8 | 168.4 | 0 | 0 | 0 | 0 | 107.6 | R66 T67 G86 V87 F116 F117 I122 | R66-V84 HydrophobicContact CG-CG1 4.35Å; T67-V84 CarbonylContact O-C 3.48Å; T67-V84 VanDerWaalsContact O-CA 3.23Å; T67-V84 WeakPolarHBondContact O-CA 3.23Å; V84-G86 PolarHBondContact O-N 3.29Å; V84-V87 PolarHBondContact N-O 2.86Å; V84-V87 PolarHBondContact O-N 3.43Å; V84-F116 HydrophobicContact CB-CE1 4.34Å; V84-F116 HydrophobicContact CB-CZ 4.08Å; V84-F116 HydrophobicContact CG2-CD1 4.26Å; V84-F116 HydrophobicContact CG2-CE1 3.52Å; V84-F116 HydrophobicContact CG2-CE2 4.25Å; V84-F116 HydrophobicContact CG2-CZ 3.5Å; V84-F117 HydrophobicContact CG2-CD1 4.31Å; V84-F117 HydrophobicContact CG2-CE1 4.47Å; V84-I122 HydrophobicContact CG1-CG2 4.33Å; V84-I122 HydrophobicContact CG2-CG2 4.01Å |
| 85 | N | 95.1 | Very high | 90.6 | Very high | 66 Ų | 66 | 42.9 Ų | 42.9 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 39.4 | -175.7 | -63.6 | -18.3 | 0 | 0 | 0 | 113.7 | R61 R66 T67 V87 | R61-N85 VanDerWaalsContact CD-CA 3.47Å; R61-N85 VanDerWaalsContact CD-O 3.25Å; R61-N85 WeakPolarHBondContact CD-O 3.39Å; R66-N85 VanDerWaalsContact CA-OD1 3.29Å; R66-N85 WeakPolarHBondContact CA-OD1 3.48Å; R66-N85 WeakPolarHBondContact CG-OD1 3.24Å; T67-N85 PolarHBondContact N-OD1 2.97Å; T67-N85 VanDerWaalsContact N-OD1 3.13Å; T67-N85 PolarHBondContact O-N 3.22Å; T67-N85 WeakPolarHBondContact OG1-CA 3.45Å; T67-N85 PolarHBondContact OG1-N 3.14Å; N85-V87 PolarHBondContact O-N 2.76Å |
| 86 | G | 92 | Very high | 91.1 | Very high | 19 Ų | 19 | 46 Ų | 46 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -9.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E57 V84 | E57-G86 PolarHBondContact OE1-N 3.04Å; E57-G86 VanDerWaalsContact OE1-N 3.07Å; V84-G86 PolarHBondContact O-N 3.29Å |
| 87 | V | 93.2 | Very high | 91.7 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 59% | 0.588 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.4 | -177.4 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | R83 V84 N85 | R83-V87 CarbonylContact C-O 3.34Å; R83-V87 VanDerWaalsContact CA-O 3.22Å; R83-V87 WeakPolarHBondContact CA-O 3.44Å; V84-V87 PolarHBondContact N-O 2.86Å; V84-V87 PolarHBondContact O-N 3.43Å; N85-V87 PolarHBondContact O-N 2.76Å |
| 88 | P | 92.1 | Very high | 92 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 31% | 0.305 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 148.3 | 172.8 | -26.1 | 35.7 | 0 | 0 | 0 | 113.1 | R79 F82 R83 | R79-P88 HydrophobicContact CB-CB 4.48Å; F82-P88 CarbonylContact O-C 3.55Å; F82-P88 VanDerWaalsContact O-CA 3.32Å; F82-P88 WeakPolarHBondContact O-CA 3.44Å; R83-P88 HydrophobicContact CG-CG 4.47Å |
| 89 | I | 93.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -51.3 | 140.4 | 172 | -170.3 | 171.3 | 0 | 0 | 0 | 110.8 | R79 F82 Y93 F94 L97 F116 | R79-I89 HydrophobicContact CB-CG2 3.73Å; R79-I89 WeakPolarHBondContact CD-O 3.17Å; R79-I89 HydrophobicContact CG-CG2 3.95Å; R79-I89 PolarHBondContact NH1-O 3.28Å; F82-I89 HydrophobicContact CB-CB 4.01Å; F82-I89 HydrophobicContact CB-CG2 3.74Å; F82-I89 HydrophobicContact CD2-CG2 4.2Å; F82-I89 HydrophobicContact CG-CG2 4.26Å; F82-I89 PolarHBondContact O-N 2.86Å; I89-Y93 HydrophobicContact CD1-CD2 4.28Å; I89-Y93 HydrophobicContact CD1-CG 4.17Å; I89-Y93 HydrophobicContact CG1-CG 4.27Å; I89-F94 HydrophobicContact CD1-CB 4.3Å; I89-F94 HydrophobicContact CG1-CB 4.44Å; I89-F94 HydrophobicContact CG2-CB 4.08Å; I89-F94 HydrophobicContact CG2-CD2 4.02Å; I89-L97 HydrophobicContact CD1-CD1 3.93Å; I89-F116 HydrophobicContact CB-CD1 4.48Å; I89-F116 HydrophobicContact CB-CE1 3.88Å; I89-F116 HydrophobicContact CB-CE2 4.37Å; I89-F116 HydrophobicContact CB-CZ 3.83Å; I89-F116 HydrophobicContact CD1-CD1 4.17Å; I89-F116 HydrophobicContact CD1-CD2 3.73Å; I89-F116 HydrophobicContact CD1-CE1 4.28Å; I89-F116 HydrophobicContact CD1-CE2 3.89Å; I89-F116 HydrophobicContact CD1-CG 3.89Å; I89-F116 HydrophobicContact CD1-CZ 4.16Å; I89-F116 HydrophobicContact CG1-CD2 4.21Å; I89-F116 HydrophobicContact CG1-CE1 4.2Å; I89-F116 HydrophobicContact CG1-CE2 3.83Å; I89-F116 HydrophobicContact CG1-CZ 3.82Å |
| 90 | S | 92.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 52.3 Ų | 52.3 | 43% | 0.434 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 157.6 | 175.8 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | Y93 F94 | S90-Y93 VanDerWaalsContact OG-CB 3.27Å; S90-Y93 WeakPolarHBondContact OG-CB 3.27Å; S90-Y93 PolarHBondContact OG-N 3.24Å; S90-F94 VanDerWaalsContact O-CB 3.31Å; S90-F94 WeakPolarHBondContact O-CB 3.49Å; S90-F94 PolarHBondContact O-N 2.95Å |
| 91 | E | 90.4 | Very high | 92.2 | Very high | 119 Ų | 119 | 52.4 Ų | 52.4 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.5 | -48.6 | 178.2 | -172.9 | 167.7 | 173.2 | 0 | 0 | 111.8 | Y93 F94 V95 | E91-Y93 VanDerWaalsContact C-N 3.34Å; E91-Y93 PolarHBondContact O-N 3.46Å; E91-F94 WeakPolarHBondContact O-CB 3.33Å; E91-F94 PolarHBondContact O-N 2.84Å; E91-F94 VanDerWaalsContact O-N 3.17Å; E91-V95 HydrophobicContact CG-CG2 4.4Å; E91-V95 WeakPolarHBondContact O-CB 3.44Å; E91-V95 VanDerWaalsContact O-CG2 3.3Å; E91-V95 WeakPolarHBondContact O-CG2 3.35Å; E91-V95 PolarHBondContact O-N 3.12Å |
| 92 | D | 93.6 | Very high | 91.6 | Very high | 137 Ų | 137 | 53.3 Ų | 53.3 | 73% | 0.733 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.8 | -45 | 179.9 | -61.4 | -32.6 | 0 | 0 | 0 | 112.5 | V95 D96 | D92-V95 PolarHBondContact O-N 2.78Å; D92-D96 WeakPolarHBondContact O-CB 3.31Å; D92-D96 PolarHBondContact O-N 3.37Å |
| 93 | Y | 94.8 | Very high | 90.5 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 26% | 0.255 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.3 | -39.3 | 179.7 | -157.8 | 156.4 | 0 | 0 | 0 | 110.7 | I89 S90 E91 V95 D96 L97 F116 E119 | I89-Y93 HydrophobicContact CD1-CD2 4.28Å; I89-Y93 HydrophobicContact CD1-CG 4.17Å; I89-Y93 HydrophobicContact CG1-CG 4.27Å; S90-Y93 VanDerWaalsContact OG-CB 3.27Å; S90-Y93 WeakPolarHBondContact OG-CB 3.27Å; S90-Y93 PolarHBondContact OG-N 3.24Å; E91-Y93 VanDerWaalsContact C-N 3.34Å; E91-Y93 PolarHBondContact O-N 3.46Å; Y93-V95 VanDerWaalsContact C-N 3.33Å; Y93-V95 PolarHBondContact O-N 2.85Å; Y93-D96 PolarHBondContact O-N 3.49Å; Y93-L97 HydrophobicContact CD2-CD1 3.75Å; Y93-L97 HydrophobicContact CD2-CG 3.81Å; Y93-L97 HydrophobicContact CE2-CD1 3.62Å; Y93-L97 HydrophobicContact CE2-CD2 4.31Å; Y93-L97 HydrophobicContact CE2-CG 3.73Å; Y93-L97 PolarHBondContact O-N 2.85Å; Y93-F116 HydrophobicContact CD1-CD2 4.42Å; Y93-F116 HydrophobicContact CD1-CE2 4.09Å; Y93-F116 HydrophobicContact CE1-CD2 4.07Å; Y93-F116 AromaticContact CE1-CE2 3.95Å; Y93-F116 HydrophobicContact CE1-CE2 3.95Å; Y93-F116 HydrophobicContact CE2-CD2 4.3Å; Y93-F116 AromaticContact CZ-CD2 3.99Å; Y93-E119 WeakPolarHBondContact CE2-OE2 3.36Å; Y93-E119 WeakPolarHBondContact OH-CB 3.15Å; Y93-E119 PolarHBondContact OH-OE2 3.01Å |
| 94 | F | 91.6 | Very high | 88.9 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 5% | 0.053 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -46.1 | 173.8 | -178.3 | -90 | 0 | 0 | 0 | 111.8 | V78 R79 F82 I89 S90 E91 F98 L109 M112 F405 | V78-F94 HydrophobicContact CB-CZ 4.48Å; V78-F94 HydrophobicContact CG1-CE1 3.99Å; V78-F94 HydrophobicContact CG1-CE2 3.88Å; V78-F94 HydrophobicContact CG1-CZ 3.51Å; V78-F94 HydrophobicContact CG2-CE2 4.25Å; V78-F94 HydrophobicContact CG2-CZ 4.15Å; R79-F94 HydrophobicContact CG-CB 4.08Å; R79-F94 HydrophobicContact CG-CD2 4.04Å; R79-F94 HydrophobicContact CG-CG 3.93Å; F82-F94 HydrophobicContact CD2-CD2 4.43Å; F82-F94 HydrophobicContact CD2-CE2 4.31Å; F82-F94 HydrophobicContact CE2-CD2 4.31Å; F82-F94 AromaticContact CE2-CE2 3.77Å; F82-F94 HydrophobicContact CE2-CE2 3.77Å; F82-F94 HydrophobicContact CZ-CE2 4.37Å; I89-F94 HydrophobicContact CD1-CB 4.3Å; I89-F94 HydrophobicContact CG1-CB 4.44Å; I89-F94 HydrophobicContact CG2-CB 4.08Å; I89-F94 HydrophobicContact CG2-CD2 4.02Å; S90-F94 VanDerWaalsContact O-CB 3.31Å; S90-F94 WeakPolarHBondContact O-CB 3.49Å; S90-F94 PolarHBondContact O-N 2.95Å; E91-F94 WeakPolarHBondContact O-CB 3.33Å; E91-F94 PolarHBondContact O-N 2.84Å; E91-F94 VanDerWaalsContact O-N 3.17Å; F94-F98 HydrophobicContact CE1-CB 4.41Å; F94-F98 WeakPolarHBondContact O-CB 3.21Å; F94-F98 PolarHBondContact O-N 3.29Å; F94-L109 HydrophobicContact CE2-CD2 4.44Å; F94-L109 HydrophobicContact CZ-CD2 4.47Å; F94-M112 HydrophobicContact CD2-CE 3.77Å; F94-M112 HydrophobicContact CE2-CE 3.61Å; F94-M112 HydrophobicContact CE2-SD 4.44Å; F94-M112 HydrophobicContact CG-CE 4.35Å; F94-M112 HydrophobicContact CZ-CE 4.07Å; F94-F405 AromaticContact CE1-CE2 3.89Å; F94-F405 HydrophobicContact CE1-CE2 3.89Å; F94-F405 HydrophobicContact CE1-CZ 4.43Å; F94-F405 AromaticContact CZ-CE2 3.77Å; F94-F405 HydrophobicContact CZ-CE2 3.77Å; F94-F405 HydrophobicContact CZ-CZ 4.14Å |
| 95 | V | 90.3 | Very high | 86.8 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 179.6 | 170 | 0 | 0 | 0 | 0 | 111 | E91 D92 Y93 F98 W99 | E91-V95 HydrophobicContact CG-CG2 4.4Å; E91-V95 WeakPolarHBondContact O-CB 3.44Å; E91-V95 VanDerWaalsContact O-CG2 3.3Å; E91-V95 WeakPolarHBondContact O-CG2 3.35Å; E91-V95 PolarHBondContact O-N 3.12Å; D92-V95 PolarHBondContact O-N 2.78Å; Y93-V95 VanDerWaalsContact C-N 3.33Å; Y93-V95 PolarHBondContact O-N 2.85Å; V95-F98 WeakPolarHBondContact O-CB 3.37Å; V95-F98 PolarHBondContact O-N 3.35Å; V95-W99 PolarHBondContact O-N 3.1Å |
| 96 | D | 92.2 | Very high | 84.7 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.1 | -52.6 | 176.6 | 167.7 | 46.9 | 0 | 0 | 0 | 112.1 | D92 Y93 F98 W99 R100 | D92-D96 WeakPolarHBondContact O-CB 3.31Å; D92-D96 PolarHBondContact O-N 3.37Å; Y93-D96 PolarHBondContact O-N 3.49Å; D96-F98 VanDerWaalsContact C-N 3.3Å; D96-F98 PolarHBondContact O-N 3.28Å; D96-W99 PolarHBondContact O-N 2.74Å; D96-R100 WeakPolarHBondContact O-CB 3.3Å; D96-R100 PolarHBondContact O-N 3.3Å; D96-R100 IonicContact OD1-CZ 3.99Å; D96-R100 IonicContact OD1-NH2 3.68Å; D96-R100 PolarHBondContact OD1-NH2 3Å; D96-R100 IonicContact OD2-CZ 3.9Å; D96-R100 IonicContact OD2-NH2 3.95Å; D96-R100 PolarHBondContact OD2-NH2 2.76Å |
| 97 | L | 91.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 175.8 | -79.2 | 174.4 | 0 | 0 | 0 | 112.2 | I89 Y93 R100 L101 M112 H115 F116 | I89-L97 HydrophobicContact CD1-CD1 3.93Å; Y93-L97 HydrophobicContact CD2-CD1 3.75Å; Y93-L97 HydrophobicContact CD2-CG 3.81Å; Y93-L97 HydrophobicContact CE2-CD1 3.62Å; Y93-L97 HydrophobicContact CE2-CD2 4.31Å; Y93-L97 HydrophobicContact CE2-CG 3.73Å; Y93-L97 PolarHBondContact O-N 2.85Å; L97-R100 PolarHBondContact O-N 3.36Å; L97-L101 HydrophobicContact CD2-CD1 4.12Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.24Å; L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 3Å; L97-M112 HydrophobicContact CB-CE 3.73Å; L97-H115 HydrophobicContact CD2-CB 3.91Å; L97-F116 HydrophobicContact CD1-CB 3.77Å; L97-F116 HydrophobicContact CD1-CD2 4.39Å; L97-F116 HydrophobicContact CD1-CG 4.41Å |
| 98 | F | 88.5 | Confident | 82.9 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -54 | 177.3 | 177.8 | -91.2 | 0 | 0 | 0 | 110 | F94 V95 D96 R100 L101 H102 F108 M112 F405 | F94-F98 HydrophobicContact CE1-CB 4.41Å; F94-F98 WeakPolarHBondContact O-CB 3.21Å; F94-F98 PolarHBondContact O-N 3.29Å; V95-F98 WeakPolarHBondContact O-CB 3.37Å; V95-F98 PolarHBondContact O-N 3.35Å; D96-F98 VanDerWaalsContact C-N 3.3Å; D96-F98 PolarHBondContact O-N 3.28Å; F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 2.88Å; F98-L101 PolarHBondContact O-N 3.49Å; F98-L101 VanDerWaalsContact O-N 3.1Å; F98-H102 HydrophobicContact CD1-CB 4.26Å; F98-H102 HydrophobicContact CD2-CB 4.48Å; F98-H102 HydrophobicContact CE1-CB 3.95Å; F98-H102 HydrophobicContact CE2-CB 4.19Å; F98-H102 HydrophobicContact CZ-CB 3.92Å; F98-H102 WeakPolarHBondContact O-CA 3.42Å; F98-H102 WeakPolarHBondContact O-CB 3.16Å; F98-H102 PolarHBondContact O-N 3.39Å; F98-H102 PolarHBondContact O-ND1 3.38Å; F98-F108 HydrophobicContact CD2-CD2 4.5Å; F98-F108 AromaticContact CD2-CE2 3.67Å; F98-F108 HydrophobicContact CD2-CE2 3.67Å; F98-F108 HydrophobicContact CD2-CZ 4.14Å; F98-F108 AromaticContact CE2-CE2 3.79Å; F98-F108 HydrophobicContact CE2-CE2 3.79Å; F98-F108 AromaticContact CE2-CZ 3.81Å; F98-F108 HydrophobicContact CE2-CZ 3.81Å; F98-M112 HydrophobicContact CB-CE 4.08Å; F98-F405 HydrophobicContact CD2-CZ 4.08Å; F98-F405 AromaticContact CE2-CE1 3.92Å; F98-F405 HydrophobicContact CE2-CE1 3.92Å; F98-F405 AromaticContact CE2-CZ 3.73Å; F98-F405 HydrophobicContact CE2-CZ 3.73Å |
| 99 | W | 88.5 | Confident | 82.8 | Confident | 113 Ų | 113 | 65.6 Ų | 65.6 | 43% | 0.428 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.7 | -32.3 | -178.5 | -71.1 | 118.7 | 0 | 0 | 0 | 113 | V95 D96 L101 H102 Y408 | V95-W99 PolarHBondContact O-N 3.1Å; D96-W99 PolarHBondContact O-N 2.74Å; W99-L101 VanDerWaalsContact C-N 3.34Å; W99-L101 PolarHBondContact O-N 3.1Å; W99-H102 AromaticContact CE3-CE1 3.74Å; W99-H102 AromaticContact CE3-ND1 3.84Å; W99-H102 PolarHBondContact O-CE1 3.03Å; W99-H102 VanDerWaalsContact O-CE1 3.3Å; W99-H102 PolarHBondContact O-ND1 3.31Å; W99-Y408 HydrophobicContact CH2-CD1 4.07Å; W99-Y408 HydrophobicContact CH2-CE1 4.48Å; W99-Y408 AromaticContact CZ2-CD1 3.67Å; W99-Y408 HydrophobicContact CZ2-CD1 3.67Å; W99-Y408 AromaticContact CZ2-CE1 3.83Å; W99-Y408 HydrophobicContact CZ2-CE1 3.83Å |
| 100 | R | 88.1 | Confident | 82.7 | Confident | 117 Ų | 117 | 65.9 Ų | 65.9 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 173.4 | -167.6 | -175.3 | -54.8 | 154.5 | 6.4 | 112.9 | D96 L97 F98 E119 | D96-R100 WeakPolarHBondContact O-CB 3.3Å; D96-R100 PolarHBondContact O-N 3.3Å; D96-R100 IonicContact OD1-CZ 3.99Å; D96-R100 IonicContact OD1-NH2 3.68Å; D96-R100 PolarHBondContact OD1-NH2 3Å; D96-R100 IonicContact OD2-CZ 3.9Å; D96-R100 IonicContact OD2-NH2 3.95Å; D96-R100 PolarHBondContact OD2-NH2 2.76Å; L97-R100 PolarHBondContact O-N 3.36Å; F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 2.88Å; R100-E119 IonicContact NH1-OE1 2.61Å; R100-E119 PolarHBondContact NH1-OE1 3.08Å; R100-E119 IonicContact NH1-OE2 3.82Å; R100-E119 PolarHBondContact NH1-OE2 3.16Å |
| 101 | L | 87.4 | Confident | 82.7 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -116.7 | -12.9 | -165.5 | -54.8 | 177.6 | 0 | 0 | 0 | 115.3 | T28 L97 F98 W99 K103 C104 M112 H115 | T28-L101 HydrophobicContact CG2-CD2 3.78Å; L97-L101 HydrophobicContact CD2-CD1 4.12Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.24Å; L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 3Å; F98-L101 PolarHBondContact O-N 3.49Å; F98-L101 VanDerWaalsContact O-N 3.1Å; W99-L101 VanDerWaalsContact C-N 3.34Å; W99-L101 PolarHBondContact O-N 3.1Å; L101-K103 PolarHBondContact O-N 2.79Å; L101-C104 PolarHBondContact O-N 3.07Å; L101-C104 VanDerWaalsContact O-N 3.16Å; L101-M112 HydrophobicContact CB-CG 4.41Å; L101-M112 HydrophobicContact CD1-CB 4.44Å; L101-M112 HydrophobicContact CD1-CG 3.85Å; L101-H115 HydrophobicContact CD1-CB 4.03Å |
| 102 | H | 78 | Confident | 82.9 | Confident | 53 Ų | 53 | 57.4 Ų | 57.4 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.2 | -169.4 | 70.8 | -73.6 | 0 | 0 | 0 | 115.3 | F98 W99 C104 | F98-H102 HydrophobicContact CD1-CB 4.26Å; F98-H102 HydrophobicContact CD2-CB 4.48Å; F98-H102 HydrophobicContact CE1-CB 3.95Å; F98-H102 HydrophobicContact CE2-CB 4.19Å; F98-H102 HydrophobicContact CZ-CB 3.92Å; F98-H102 WeakPolarHBondContact O-CA 3.42Å; F98-H102 WeakPolarHBondContact O-CB 3.16Å; F98-H102 PolarHBondContact O-N 3.39Å; F98-H102 PolarHBondContact O-ND1 3.38Å; W99-H102 AromaticContact CE3-CE1 3.74Å; W99-H102 AromaticContact CE3-ND1 3.84Å; W99-H102 PolarHBondContact O-CE1 3.03Å; W99-H102 VanDerWaalsContact O-CE1 3.3Å; W99-H102 PolarHBondContact O-ND1 3.31Å; H102-C104 PolarHBondContact O-N 2.7Å; H102-C104 VanDerWaalsContact O-N 3.08Å |
| 103 | K | 72.2 | Confident | 83 | Confident | 177 Ų | 177 | 50.9 Ų | 50.9 | 77% | 0.77 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18 | 178.1 | -66.5 | -175.1 | 179 | 178.6 | 0 | 112.7 | L101 L105 | L101-K103 PolarHBondContact O-N 2.79Å; K103-L105 PolarHBondContact O-N 3.06Å |
| 104 | C | 61.8 | Low | 83.1 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 9% | 0.088 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -83.4 | 86.5 | 171.1 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | H24 L101 H102 C106 F108 I111 | H24-C104 HydrophobicContact CB-CB 4.43Å; L101-C104 PolarHBondContact O-N 3.07Å; L101-C104 VanDerWaalsContact O-N 3.16Å; H102-C104 PolarHBondContact O-N 2.7Å; H102-C104 VanDerWaalsContact O-N 3.08Å; C104-C106 VanDerWaalsContact C-N 3.31Å; C104-C106 PolarHBondContact O-N 3.26Å; C104-C106 VanDerWaalsContact O-N 3.13Å; C104-F108 VanDerWaalsContact O-CB 3.31Å; C104-F108 WeakPolarHBondContact O-CB 3.21Å; C104-I111 HydrophobicContact CB-CD1 4.4Å |
| 105 | L | 54.6 | Low | 83.3 | Confident | 122 Ų | 122 | 48 Ų | 48 | 64% | 0.639 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -21.6 | -166.1 | -82.7 | 136.1 | 0 | 0 | 0 | 116.6 | K103 | K103-L105 PolarHBondContact O-N 3.06Š|
| 106 | C | 50.2 | Low | 83.7 | Confident | 75 Ų | 75 | 45.6 Ų | 45.6 | 51% | 0.507 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 123.3 | -176.2 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | C104 F108 | C104-C106 VanDerWaalsContact C-N 3.31Å; C104-C106 PolarHBondContact O-N 3.26Å; C104-C106 VanDerWaalsContact O-N 3.13Å; C106-F108 PolarHBondContact O-N 3.03Å |
| 107 | R | 68 | Low | 84 | Confident | 96 Ų | 96 | 42 Ų | 42 | 36% | 0.362 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 20.6 | 172.5 | -57.4 | 147 | 168.7 | -134.3 | 8.6 | 114.8 | F21 L109 T110 S137 | F21-R107 HydrophobicContact CD2-CB 3.73Å; F21-R107 HydrophobicContact CE2-CB 3.56Å; F21-R107 WeakPolarHBondContact CE2-O 3.45Å; R107-L109 PolarHBondContact O-N 3.11Å; R107-T110 PolarHBondContact O-N 3.29Å; R107-S137 WeakPolarHBondContact CD-OG 3.47Å; R107-S137 WeakPolarHBondContact CG-OG 3.22Å; R107-S137 PolarHBondContact NH1-OG 3.3Å |
| 108 | F | 80.6 | Confident | 84.3 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 9% | 0.088 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.9 | -27.4 | 179.7 | 73.7 | -86.2 | 0 | 0 | 0 | 114.8 | F98 C104 C106 T110 I111 M112 F405 | F98-F108 HydrophobicContact CD2-CD2 4.5Å; F98-F108 AromaticContact CD2-CE2 3.67Å; F98-F108 HydrophobicContact CD2-CE2 3.67Å; F98-F108 HydrophobicContact CD2-CZ 4.14Å; F98-F108 AromaticContact CE2-CE2 3.79Å; F98-F108 HydrophobicContact CE2-CE2 3.79Å; F98-F108 AromaticContact CE2-CZ 3.81Å; F98-F108 HydrophobicContact CE2-CZ 3.81Å; C104-F108 VanDerWaalsContact O-CB 3.31Å; C104-F108 WeakPolarHBondContact O-CB 3.21Å; C106-F108 PolarHBondContact O-N 3.03Å; F108-T110 PolarHBondContact O-N 3.21Å; F108-I111 CarbonylContact O-C 3.45Å; F108-I111 WeakPolarHBondContact O-CB 3.45Å; F108-I111 PolarHBondContact O-N 3.26Å; F108-M112 HydrophobicContact CD2-CG 4.07Å; F108-M112 HydrophobicContact CD2-SD 3.4Å; F108-M112 WeakPolarHBondContact CD2-SD 3.44Å; F108-M112 HydrophobicContact CE2-SD 3.47Å; F108-M112 WeakPolarHBondContact CE2-SD 3.49Å; F108-M112 WeakPolarHBondContact O-CG 3.29Å; F108-M112 PolarHBondContact O-N 3.23Å; F108-F405 HydrophobicContact CE2-CZ 4.41Å; F108-F405 AromaticContact CZ-CE1 3.91Å; F108-F405 HydrophobicContact CZ-CE1 3.91Å; F108-F405 AromaticContact CZ-CZ 3.83Å; F108-F405 HydrophobicContact CZ-CZ 3.83Å |
| 109 | L | 89.9 | Confident | 84.7 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -36.7 | 176.5 | -64.5 | 176.9 | 0 | 0 | 0 | 111.8 | V78 F82 F94 R107 M112 A113 | V78-L109 HydrophobicContact CG2-CD1 3.98Å; V78-L109 HydrophobicContact CG2-CD2 3.78Å; F82-L109 WeakPolarHBondContact CE1-O 3.24Å; F82-L109 HydrophobicContact CE2-CD2 4.07Å; F82-L109 HydrophobicContact CZ-CB 3.91Å; F82-L109 HydrophobicContact CZ-CD2 3.73Å; F82-L109 HydrophobicContact CZ-CG 4.38Å; F82-L109 WeakPolarHBondContact CZ-O 3.31Å; F94-L109 HydrophobicContact CE2-CD2 4.44Å; F94-L109 HydrophobicContact CZ-CD2 4.47Å; R107-L109 PolarHBondContact O-N 3.11Å; L109-M112 HydrophobicContact CD2-SD 4.21Å; L109-A113 PolarHBondContact O-N 2.95Å |
| 110 | T | 91.9 | Very high | 85.1 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 175.3 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | F21 Y70 R107 F108 A113 F114 T138 | F21-T110 HydrophobicContact CE1-CG2 4.34Å; F21-T110 HydrophobicContact CZ-CG2 3.84Å; Y70-T110 PolarHBondContact OH-OG1 3.18Å; R107-T110 PolarHBondContact O-N 3.29Å; F108-T110 PolarHBondContact O-N 3.21Å; T110-A113 WeakPolarHBondContact O-CB 3.46Å; T110-A113 PolarHBondContact O-N 3Å; T110-F114 HydrophobicContact CG2-CD2 4.26Å; T110-F114 HydrophobicContact CG2-CE2 3.57Å; T110-F114 HydrophobicContact CG2-CZ 4.04Å; T110-F114 VanDerWaalsContact O-CD2 3.24Å; T110-F114 WeakPolarHBondContact O-CD2 3.5Å; T110-F114 PolarHBondContact O-N 3.47Å; T110-T138 HydrophobicContact CG2-CG2 4.25Å |
| 111 | I | 93 | Very high | 85.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -46.5 | 176.2 | -56.3 | 179.9 | 0 | 0 | 0 | 110.5 | F21 H24 V25 T28 C104 F108 A113 F114 H115 | F21-I111 HydrophobicContact CD2-CD1 4.39Å; F21-I111 HydrophobicContact CE1-CG1 4.5Å; F21-I111 HydrophobicContact CE2-CD1 3.8Å; F21-I111 HydrophobicContact CE2-CG1 3.54Å; F21-I111 HydrophobicContact CZ-CD1 4.19Å; F21-I111 HydrophobicContact CZ-CG1 3.51Å; H24-I111 HydrophobicContact CB-CD1 3.81Å; V25-I111 HydrophobicContact CG2-CD1 4.2Å; V25-I111 HydrophobicContact CG2-CG1 3.96Å; T28-I111 HydrophobicContact CG2-CG2 3.81Å; C104-I111 HydrophobicContact CB-CD1 4.4Å; F108-I111 CarbonylContact O-C 3.45Å; F108-I111 WeakPolarHBondContact O-CB 3.45Å; F108-I111 PolarHBondContact O-N 3.26Å; I111-A113 PolarHBondContact O-N 3.45Å; I111-F114 PolarHBondContact O-N 3.16Å; I111-F114 VanDerWaalsContact O-N 3.11Å; I111-H115 PolarHBondContact O-CD2 2.83Å; I111-H115 PolarHBondContact O-N 3.31Å |
| 112 | M | 93.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.2 | -38.5 | 173.9 | -75.7 | 179.8 | 72 | 0 | 0 | 111.7 | F82 F94 L97 F98 L101 F108 L109 H115 F116 | F82-M112 HydrophobicContact CE1-CB 3.84Å; F82-M112 HydrophobicContact CZ-CB 4.21Å; F94-M112 HydrophobicContact CD2-CE 3.77Å; F94-M112 HydrophobicContact CE2-CE 3.61Å; F94-M112 HydrophobicContact CE2-SD 4.44Å; F94-M112 HydrophobicContact CG-CE 4.35Å; F94-M112 HydrophobicContact CZ-CE 4.07Å; L97-M112 HydrophobicContact CB-CE 3.73Å; F98-M112 HydrophobicContact CB-CE 4.08Å; L101-M112 HydrophobicContact CB-CG 4.41Å; L101-M112 HydrophobicContact CD1-CB 4.44Å; L101-M112 HydrophobicContact CD1-CG 3.85Å; F108-M112 HydrophobicContact CD2-CG 4.07Å; F108-M112 HydrophobicContact CD2-SD 3.4Å; F108-M112 WeakPolarHBondContact CD2-SD 3.44Å; F108-M112 HydrophobicContact CE2-SD 3.47Å; F108-M112 WeakPolarHBondContact CE2-SD 3.49Å; F108-M112 WeakPolarHBondContact O-CG 3.29Å; F108-M112 PolarHBondContact O-N 3.23Å; L109-M112 HydrophobicContact CD2-SD 4.21Å; M112-H115 PolarHBondContact O-N 3.25Å; M112-F116 VanDerWaalsContact O-CB 3.25Å; M112-F116 WeakPolarHBondContact O-CB 3.38Å; M112-F116 PolarHBondContact O-N 2.61Å |
| 113 | A | 96.1 | Very high | 87 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y70 F82 L109 T110 I111 F116 F117 | Y70-A113 HydrophobicContact CD2-CB 3.36Å; Y70-A113 HydrophobicContact CE2-CB 3.82Å; Y70-A113 HydrophobicContact CG-CB 3.9Å; F82-A113 HydrophobicContact CD1-CB 3.74Å; F82-A113 HydrophobicContact CE1-CB 3.71Å; L109-A113 PolarHBondContact O-N 2.95Å; T110-A113 WeakPolarHBondContact O-CB 3.46Å; T110-A113 PolarHBondContact O-N 3Å; I111-A113 PolarHBondContact O-N 3.45Å; A113-F116 PolarHBondContact O-N 2.82Å; A113-F117 HydrophobicContact CB-CE2 4.25Å; A113-F117 HydrophobicContact CB-CZ 4.45Å; A113-F117 VanDerWaalsContact O-CB 3.29Å; A113-F117 WeakPolarHBondContact O-CB 3.43Å; A113-F117 VanDerWaalsContact O-CD2 3.29Å; A113-F117 WeakPolarHBondContact O-CD2 3.4Å; A113-F117 WeakPolarHBondContact O-CG 3.42Å; A113-F117 PolarHBondContact O-N 2.79Å |
| 114 | F | 96.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.4 | -65.5 | -47.6 | 0 | 0 | 0 | 112.8 | L30 L35 L38 T110 I111 F117 L118 I127 V140 V141 | L30-F114 HydrophobicContact CD1-CB 4.22Å; L35-F114 HydrophobicContact CD1-CD2 4.03Å; L35-F114 HydrophobicContact CD1-CE2 4.04Å; L35-F114 HydrophobicContact CD1-CG 4.28Å; L35-F114 HydrophobicContact CD1-CZ 4.31Å; L35-F114 HydrophobicContact CD2-CB 3.62Å; L35-F114 HydrophobicContact CD2-CD1 3.99Å; L35-F114 HydrophobicContact CD2-CD2 4.14Å; L35-F114 HydrophobicContact CD2-CG 3.67Å; L38-F114 HydrophobicContact CD1-CD1 3.8Å; L38-F114 HydrophobicContact CD1-CE1 4.48Å; T110-F114 HydrophobicContact CG2-CD2 4.26Å; T110-F114 HydrophobicContact CG2-CE2 3.57Å; T110-F114 HydrophobicContact CG2-CZ 4.04Å; T110-F114 VanDerWaalsContact O-CD2 3.24Å; T110-F114 WeakPolarHBondContact O-CD2 3.5Å; T110-F114 PolarHBondContact O-N 3.47Å; I111-F114 PolarHBondContact O-N 3.16Å; I111-F114 VanDerWaalsContact O-N 3.11Å; F114-F117 PolarHBondContact O-N 3.48Å; F114-L118 WeakPolarHBondContact O-CB 3.31Å; F114-L118 VanDerWaalsContact O-CG 3.27Å; F114-L118 WeakPolarHBondContact O-CG 3.29Å; F114-L118 PolarHBondContact O-N 3Å; F114-I127 HydrophobicContact CE1-CD1 4.39Å; F114-V140 HydrophobicContact CD2-CG2 4.45Å; F114-V140 HydrophobicContact CE2-CG2 3.42Å; F114-V140 VanDerWaalsContact CE2-CG2 3.42Å; F114-V140 HydrophobicContact CZ-CG2 3.75Å; F114-V141 HydrophobicContact CE1-CG2 4.05Å; F114-V141 HydrophobicContact CZ-CG2 3.98Å |
| 115 | H | 96.2 | Very high | 90 | Very high | 13 Ų | 13 | 35 Ų | 35 | 6% | 0.06 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58 | -52.4 | 172.7 | -84.1 | -93.6 | 0 | 0 | 0 | 111.1 | T28 L30 L97 L101 I111 M112 F117 L118 E119 | T28-H115 WeakPolarHBondContact CB-NE2 3.46Å; T28-H115 PolarHBondContact O-CE1 3.22Å; T28-H115 PolarHBondContact OG1-NE2 3.1Å; L30-H115 WeakPolarHBondContact CD1-CD2 3.37Å; L30-H115 WeakPolarHBondContact CD1-NE2 3.39Å; L30-H115 WeakPolarHBondContact CG-NE2 3.38Å; L97-H115 HydrophobicContact CD2-CB 3.91Å; L101-H115 HydrophobicContact CD1-CB 4.03Å; I111-H115 PolarHBondContact O-CD2 2.83Å; I111-H115 PolarHBondContact O-N 3.31Å; M112-H115 PolarHBondContact O-N 3.25Å; H115-F117 VanDerWaalsContact C-N 3.29Å; H115-F117 PolarHBondContact O-N 3.48Å; H115-L118 PolarHBondContact O-N 2.87Å; H115-E119 IonicContact ND1-OE1 3.7Å; H115-E119 WeakPolarHBondContact O-CB 3.37Å; H115-E119 VanDerWaalsContact O-CG 3.32Å; H115-E119 WeakPolarHBondContact O-CG 3.26Å; H115-E119 PolarHBondContact O-N 2.71Å |
| 116 | F | 97.5 | Very high | 92.1 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 4% | 0.044 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.9 | -42.2 | -179.5 | 178.6 | -134.6 | 0 | 0 | 0 | 112.5 | F82 V84 I89 Y93 L97 M112 A113 S120 | F82-F116 HydrophobicContact CB-CD1 3.92Å; F82-F116 HydrophobicContact CB-CE1 4.04Å; V84-F116 HydrophobicContact CB-CE1 4.34Å; V84-F116 HydrophobicContact CB-CZ 4.08Å; V84-F116 HydrophobicContact CG2-CD1 4.26Å; V84-F116 HydrophobicContact CG2-CE1 3.52Å; V84-F116 HydrophobicContact CG2-CE2 4.25Å; V84-F116 HydrophobicContact CG2-CZ 3.5Å; I89-F116 HydrophobicContact CB-CD1 4.48Å; I89-F116 HydrophobicContact CB-CE1 3.88Å; I89-F116 HydrophobicContact CB-CE2 4.37Å; I89-F116 HydrophobicContact CB-CZ 3.83Å; I89-F116 HydrophobicContact CD1-CD1 4.17Å; I89-F116 HydrophobicContact CD1-CD2 3.73Å; I89-F116 HydrophobicContact CD1-CE1 4.28Å; I89-F116 HydrophobicContact CD1-CE2 3.89Å; I89-F116 HydrophobicContact CD1-CG 3.89Å; I89-F116 HydrophobicContact CD1-CZ 4.16Å; I89-F116 HydrophobicContact CG1-CD2 4.21Å; I89-F116 HydrophobicContact CG1-CE1 4.2Å; I89-F116 HydrophobicContact CG1-CE2 3.83Å; I89-F116 HydrophobicContact CG1-CZ 3.82Å; Y93-F116 HydrophobicContact CD1-CD2 4.42Å; Y93-F116 HydrophobicContact CD1-CE2 4.09Å; Y93-F116 HydrophobicContact CE1-CD2 4.07Å; Y93-F116 AromaticContact CE1-CE2 3.95Å; Y93-F116 HydrophobicContact CE1-CE2 3.95Å; Y93-F116 HydrophobicContact CE2-CD2 4.3Å; Y93-F116 AromaticContact CZ-CD2 3.99Å; L97-F116 HydrophobicContact CD1-CB 3.77Å; L97-F116 HydrophobicContact CD1-CD2 4.39Å; L97-F116 HydrophobicContact CD1-CG 4.41Å; M112-F116 VanDerWaalsContact O-CB 3.25Å; M112-F116 WeakPolarHBondContact O-CB 3.38Å; M112-F116 PolarHBondContact O-N 2.61Å; A113-F116 PolarHBondContact O-N 2.82Å; F116-S120 WeakPolarHBondContact CD2-OG 3.29Å; F116-S120 VanDerWaalsContact CE2-OG 3.3Å; F116-S120 WeakPolarHBondContact CE2-OG 3.44Å; F116-S120 WeakPolarHBondContact O-CB 3.37Å; F116-S120 PolarHBondContact O-N 3.12Å; F116-S120 PolarHBondContact O-OG 3.06Å |
| 117 | F | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.9 | -41.3 | 179.7 | -69.7 | -11.1 | 0 | 0 | 0 | 113.3 | L38 F69 V84 A113 F114 H115 S120 K121 I122 A125 I127 | L38-F117 HydrophobicContact CD1-CB 4.39Å; L38-F117 HydrophobicContact CD2-CB 3.91Å; F69-F117 VanDerWaalsContact C-CZ 3.5Å; V84-F117 HydrophobicContact CG2-CD1 4.31Å; V84-F117 HydrophobicContact CG2-CE1 4.47Å; A113-F117 HydrophobicContact CB-CE2 4.25Å; A113-F117 HydrophobicContact CB-CZ 4.45Å; A113-F117 VanDerWaalsContact O-CB 3.29Å; A113-F117 WeakPolarHBondContact O-CB 3.43Å; A113-F117 VanDerWaalsContact O-CD2 3.29Å; A113-F117 WeakPolarHBondContact O-CD2 3.4Å; A113-F117 WeakPolarHBondContact O-CG 3.42Å; A113-F117 PolarHBondContact O-N 2.79Å; F114-F117 PolarHBondContact O-N 3.48Å; H115-F117 VanDerWaalsContact C-N 3.29Å; H115-F117 PolarHBondContact O-N 3.48Å; F117-S120 PolarHBondContact O-N 2.95Å; F117-K121 PolarHBondContact O-N 3.42Å; F117-I122 HydrophobicContact CB-CD1 3.45Å; F117-I122 VanDerWaalsContact CB-CD1 3.45Å; F117-I122 HydrophobicContact CB-CG1 4.13Å; F117-I122 HydrophobicContact CD1-CD1 4.06Å; F117-I122 HydrophobicContact CD2-CD1 4.02Å; F117-I122 HydrophobicContact CG-CD1 3.57Å; F117-A125 HydrophobicContact CD2-CB 4.17Å; F117-I127 HydrophobicContact CD2-CD1 4.21Å; F117-I127 HydrophobicContact CE2-CD1 3.69Å |
| 118 | L | 97.8 | Very high | 95.8 | Very high | 23 Ų | 23 | 21.9 Ų | 21.9 | 12% | 0.12 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 175.3 | -72.8 | 169.3 | 0 | 0 | 0 | 111.4 | L30 D34 L35 R37 L38 F114 H115 S120 K121 | L30-L118 HydrophobicContact CD1-CD1 3.88Å; L30-L118 HydrophobicContact CD2-CD1 3.54Å; L30-L118 HydrophobicContact CG-CD1 4.36Å; D34-L118 HydrophobicContact CB-CD1 4.15Å; D34-L118 WeakPolarHBondContact O-CD2 3.05Å; L35-L118 HydrophobicContact CD2-CD1 4.2Å; R37-L118 HydrophobicContact CB-CD2 4.46Å; L38-L118 HydrophobicContact CD1-CD2 4.49Å; L38-L118 HydrophobicContact CD1-CG 4.39Å; L38-L118 HydrophobicContact CD2-CD2 3.66Å; L38-L118 HydrophobicContact CD2-CG 3.96Å; L38-L118 HydrophobicContact CG-CD2 3.94Å; L38-L118 HydrophobicContact CG-CG 4.33Å; F114-L118 WeakPolarHBondContact O-CB 3.31Å; F114-L118 VanDerWaalsContact O-CG 3.27Å; F114-L118 WeakPolarHBondContact O-CG 3.29Å; F114-L118 PolarHBondContact O-N 3Å; H115-L118 PolarHBondContact O-N 2.87Å; L118-S120 VanDerWaalsContact C-N 3.31Å; L118-S120 PolarHBondContact O-N 2.96Å; L118-K121 PolarHBondContact O-N 3.42Å; L118-K121 VanDerWaalsContact O-N 3.16Å |
| 119 | E | 97.7 | Very high | 96.5 | Very high | 77 Ų | 77 | 20.9 Ų | 20.9 | 36% | 0.36 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -66.7 | -34 | 178.4 | -68.5 | 178.4 | -171.8 | 0 | 0 | 111.6 | Y93 R100 H115 K121 | Y93-E119 WeakPolarHBondContact CE2-OE2 3.36Å; Y93-E119 WeakPolarHBondContact OH-CB 3.15Å; Y93-E119 PolarHBondContact OH-OE2 3.01Å; R100-E119 IonicContact NH1-OE1 2.61Å; R100-E119 PolarHBondContact NH1-OE1 3.08Å; R100-E119 IonicContact NH1-OE2 3.82Å; R100-E119 PolarHBondContact NH1-OE2 3.16Å; H115-E119 IonicContact ND1-OE1 3.7Å; H115-E119 WeakPolarHBondContact O-CB 3.37Å; H115-E119 VanDerWaalsContact O-CG 3.32Å; H115-E119 WeakPolarHBondContact O-CG 3.26Å; H115-E119 PolarHBondContact O-N 2.71Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 3.1Å |
| 120 | S | 97.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 7% | 0.07 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -6 | 174.9 | -64.7 | 0 | 0 | 0 | 0 | 114 | R66 F116 F117 L118 I122 | R66-S120 PolarHBondContact NE-O 3.16Å; R66-S120 PolarHBondContact NH1-O 2.83Å; R66-S120 PolarHBondContact NH2-O 2.99Å; F116-S120 WeakPolarHBondContact CD2-OG 3.29Å; F116-S120 VanDerWaalsContact CE2-OG 3.3Å; F116-S120 WeakPolarHBondContact CE2-OG 3.44Å; F116-S120 WeakPolarHBondContact O-CB 3.37Å; F116-S120 PolarHBondContact O-N 3.12Å; F116-S120 PolarHBondContact O-OG 3.06Å; F117-S120 PolarHBondContact O-N 2.95Å; L118-S120 VanDerWaalsContact C-N 3.31Å; L118-S120 PolarHBondContact O-N 2.96Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 2.91Å |
| 121 | K | 97.1 | Very high | 96.2 | Very high | 165 Ų | 165 | 22.3 Ų | 22.3 | 72% | 0.717 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 48.7 | 178.4 | -55.2 | -179.8 | -176.4 | 178.4 | 0 | 112.8 | F117 L118 E119 | F117-K121 PolarHBondContact O-N 3.42Å; L118-K121 PolarHBondContact O-N 3.42Å; L118-K121 VanDerWaalsContact O-N 3.16Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 3.1Å |
| 122 | I | 98.2 | Very high | 95.9 | Very high | 14 Ų | 14 | 22.5 Ų | 22.5 | 7% | 0.072 | 12% | 0.116 | C | C | . | . | trans | -69.2 | 156.1 | 175.9 | 64.3 | 174.8 | 0 | 0 | 0 | 111.2 | L38 R66 V84 F117 S120 V124 A125 | L38-I122 HydrophobicContact CD2-CD1 4.21Å; L38-I122 HydrophobicContact CD2-CG1 4.11Å; R66-I122 HydrophobicContact CG-CG2 4.23Å; R66-I122 CarbonylContact O-C 3.48Å; R66-I122 WeakPolarHBondContact O-CB 3.24Å; V84-I122 HydrophobicContact CG1-CG2 4.33Å; V84-I122 HydrophobicContact CG2-CG2 4.01Å; F117-I122 HydrophobicContact CB-CD1 3.45Å; F117-I122 VanDerWaalsContact CB-CD1 3.45Å; F117-I122 HydrophobicContact CB-CG1 4.13Å; F117-I122 HydrophobicContact CD1-CD1 4.06Å; F117-I122 HydrophobicContact CD2-CD1 4.02Å; F117-I122 HydrophobicContact CG-CD1 3.57Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 2.91Å; I122-V124 WeakPolarHBondContact CD1-O 3.28Å; I122-A125 HydrophobicContact CD1-CB 3.86Å | ||
| 123 | D | 97.2 | Very high | 95.9 | Very high | 70 Ų | 70 | 22.5 Ų | 22.5 | 37% | 0.374 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -84.7 | -31.5 | 174.1 | -61.4 | -52 | 0 | 0 | 0 | 112 | N39 F65 R66 W246 | N39-D123 WeakPolarHBondContact CB-O 3.13Å; N39-D123 PolarHBondContact ND2-O 2.92Å; N39-D123 VanDerWaalsContact ND2-O 3.1Å; F65-D123 HydrophobicContact CB-CB 4.27Å; F65-D123 HydrophobicContact CD1-CB 4.13Å; R66-D123 WeakPolarHBondContact CB-OD2 3.4Å; R66-D123 PolarHBondContact N-OD2 2.85Å; R66-D123 PolarHBondContact O-N 2.88Å; D123-W246 WeakPolarHBondContact O-CZ2 3.26Å |
| 124 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 127.3 | -175.5 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | V41 L60 F65 R66 T67 G68 I122 I126 W246 | V41-V124 HydrophobicContact CG2-CG2 4Å; L60-V124 HydrophobicContact CB-CG1 4.29Å; L60-V124 HydrophobicContact CD1-CB 4.31Å; L60-V124 HydrophobicContact CD1-CG1 3.9Å; L60-V124 HydrophobicContact CD1-CG2 3.77Å; F65-V124 HydrophobicContact CB-CG1 4.4Å; R66-V124 PolarHBondContact O-N 3.17Å; T67-V124 HydrophobicContact CG2-CG1 3.75Å; G68-V124 PolarHBondContact N-O 2.94Å; I122-V124 WeakPolarHBondContact CD1-O 3.28Å; V124-I126 HydrophobicContact CG1-CD1 3.99Å; V124-I126 HydrophobicContact CG2-CD1 4.03Å; V124-I126 HydrophobicContact CG2-CG1 4.43Å; V124-W246 HydrophobicContact CB-CH2 3.94Å; V124-W246 HydrophobicContact CB-CZ2 3.43Å; V124-W246 VanDerWaalsContact CB-CZ2 3.43Å; V124-W246 HydrophobicContact CG1-CH2 4.45Å; V124-W246 HydrophobicContact CG1-CZ2 4.4Å; V124-W246 HydrophobicContact CG2-CD2 4.1Å; V124-W246 HydrophobicContact CG2-CG 4.45Å; V124-W246 HydrophobicContact CG2-CZ2 3.84Å |
| 125 | A | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L38 V40 V41 G68 F117 I122 I127 | L38-A125 HydrophobicContact CB-CB 3.88Å; L38-A125 PolarHBondContact O-N 2.82Å; V40-A125 CarbonylContact C-O 2.84Å; V40-A125 VanDerWaalsContact CA-O 3.3Å; V40-A125 WeakPolarHBondContact CA-O 3.15Å; V40-A125 HydrophobicContact CG2-CB 4.11Å; V41-A125 PolarHBondContact N-O 2.98Å; G68-A125 CarbonylContact O-C 3.55Å; G68-A125 WeakPolarHBondContact O-CA 3.47Å; F117-A125 HydrophobicContact CD2-CB 4.17Å; I122-A125 HydrophobicContact CD1-CB 3.86Å; A125-I127 HydrophobicContact CB-CD1 4.11Å; A125-I127 HydrophobicContact CB-CG1 4.22Å |
| 126 | I | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 112.6 | 168.4 | -56.9 | 87.2 | 0 | 0 | 0 | 107.5 | V41 C53 V56 E57 T67 G68 F69 Y70 V124 | V41-I126 HydrophobicContact CB-CG1 4.47Å; C53-I126 HydrophobicContact CB-CG2 3.6Å; V56-I126 HydrophobicContact CB-CG1 4.41Å; V56-I126 HydrophobicContact CG1-CG1 3.79Å; E57-I126 HydrophobicContact CB-CD1 4.35Å; E57-I126 HydrophobicContact CG-CD1 4.48Å; T67-I126 HydrophobicContact CG2-CD1 4.2Å; G68-I126 WeakPolarHBondContact O-CD1 3.33Å; G68-I126 PolarHBondContact O-N 3.02Å; F69-I126 WeakPolarHBondContact CA-O 3.4Å; F69-I126 HydrophobicContact CD2-CB 4.29Å; F69-I126 HydrophobicContact CD2-CG2 4.17Å; Y70-I126 PolarHBondContact N-O 3.15Å; V124-I126 HydrophobicContact CG1-CD1 3.99Å; V124-I126 HydrophobicContact CG2-CD1 4.03Å; V124-I126 HydrophobicContact CG2-CG1 4.43Å |
| 127 | I | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 111 | -174.7 | -55.5 | -61 | 0 | 0 | 0 | 109.3 | V40 V41 H42 V43 Y70 F114 F117 A125 T138 | V40-I127 HydrophobicContact CG1-CB 4.16Å; V40-I127 HydrophobicContact CG1-CG1 3.68Å; V41-I127 PolarHBondContact O-N 3.33Å; H42-I127 PolarHBondContact CD2-O 3.43Å; V43-I127 PolarHBondContact N-O 3.11Å; Y70-I127 HydrophobicContact CD1-CG2 4.27Å; F114-I127 HydrophobicContact CE1-CD1 4.39Å; F117-I127 HydrophobicContact CD2-CD1 4.21Å; F117-I127 HydrophobicContact CE2-CD1 3.69Å; A125-I127 HydrophobicContact CB-CD1 4.11Å; A125-I127 HydrophobicContact CB-CG1 4.22Å; I127-T138 HydrophobicContact CG2-CG2 3.62Å |
| 128 | E | 98 | Very high | 95.1 | Very high | 16 Ų | 16 | 27.6 Ų | 27.6 | 8% | 0.075 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.4 | 167.7 | -166.6 | -174.8 | -174.3 | 0 | 0 | 109.6 | K49 G50 F69 Y70 S71 S72 | K49-E128 HydrophobicContact CB-CG 3.82Å; K49-E128 WeakPolarHBondContact CB-OE1 3.49Å; K49-E128 HydrophobicContact CD-CG 4.42Å; G50-E128 PolarHBondContact N-OE1 2.89Å; F69-E128 HydrophobicContact CE2-CB 4.49Å; Y70-E128 VanDerWaalsContact O-CB 3.25Å; Y70-E128 WeakPolarHBondContact O-CB 3.45Å; Y70-E128 PolarHBondContact O-N 2.91Å; S71-E128 WeakPolarHBondContact CA-OE2 3.32Å; S71-E128 VanDerWaalsContact CB-OE2 3.28Å; S71-E128 WeakPolarHBondContact CB-OE2 3.36Å; S72-E128 PolarHBondContact N-OE2 3.32Å |
| 129 | V | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -73.6 | 142.2 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 110 | H42 V43 A44 K49 G132 D136 V174 | H42-V129 WeakPolarHBondContact CD2-CG2 3.24Å; H42-V129 WeakPolarHBondContact NE2-CG2 3.39Å; V43-V129 VanDerWaalsContact O-CB 3.22Å; V43-V129 WeakPolarHBondContact O-CB 3.15Å; V43-V129 WeakPolarHBondContact O-CG2 3.28Å; V43-V129 PolarHBondContact O-N 3.03Å; A44-V129 HydrophobicContact CB-CB 4.27Å; A44-V129 HydrophobicContact CB-CG1 4.36Å; A44-V129 HydrophobicContact CB-CG2 3.98Å; K49-V129 HydrophobicContact CD-CB 4.49Å; K49-V129 WeakPolarHBondContact CE-O 3.4Å; V129-G132 WeakPolarHBondContact CG1-O 3.06Å; V129-D136 HydrophobicContact CG1-CB 4.22Å; V129-V174 HydrophobicContact CG2-CG1 3.77Å | ||
| 130 | G | 89 | Confident | 94.8 | Very high | 18 Ų | 18 | 23.3 Ų | 23.3 | 19% | 0.186 | 12% | 0.12 | C | C | . | . | trans | -71.9 | -107.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D136 | G130-D136 WeakPolarHBondContact CA-OD2 3.29Å; G130-D136 PolarHBondContact N-OD2 3.33Å | ||
| 131 | V | 85.1 | Confident | 94.8 | Very high | 46 Ų | 46 | 23 Ų | 23 | 28% | 0.279 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -89.9 | -59.5 | -171.3 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | D136 H156 I159 L160 K171 | V131-D136 PolarHBondContact N-OD2 3.22Å; V131-H156 HydrophobicContact CG1-CB 3.66Å; V131-I159 HydrophobicContact CG1-CD1 4.29Å; V131-I159 HydrophobicContact CG1-CG2 4.23Å; V131-L160 HydrophobicContact CG1-CD1 4.27Å; V131-L160 HydrophobicContact CG1-CD2 4.2Å; V131-L160 HydrophobicContact CG1-CG 4.2Å; V131-L160 WeakPolarHBondContact O-CD1 3.2Å; V131-K171 PolarHBondContact O-NZ 2.9Å |
| 132 | G | 87.7 | Confident | 94.6 | Very high | 6 Ų | 6 | 20 Ų | 20 | 6% | 0.062 | 10% | 0.102 | C | C | . | . | trans | -102.5 | -166.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V129 D136 L160 N170 | V129-G132 WeakPolarHBondContact CG1-O 3.06Å; G132-D136 WeakPolarHBondContact O-CB 3.25Å; G132-L160 VanDerWaalsContact CA-CD2 3.5Å; G132-N170 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 133 | G | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -118.6 | -58.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y135 D136 N139 N170 | G133-Y135 VanDerWaalsContact C-N 3.3Å; G133-Y135 PolarHBondContact O-N 3.46Å; G133-D136 PolarHBondContact O-N 2.87Å; G133-N139 VanDerWaalsContact O-CB 3.23Å; G133-N139 WeakPolarHBondContact O-CB 3.29Å; G133-N139 VanDerWaalsContact O-CG 3.3Å; G133-N139 PolarHBondContact O-ND2 2.61Å; G133-N170 CarbonylContact C-O 3.6Å; G133-N170 WeakPolarHBondContact CA-O 2.96Å; G133-N170 PolarHBondContact N-O 3.1Å; G133-N170 PolarHBondContact N-OD1 3.29Å |
| 134 | T | 95.5 | Very high | 94.5 | Very high | 17 Ų | 17 | 20.2 Ų | 20.2 | 10% | 0.104 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -42.3 | -172.6 | -59 | 0 | 0 | 0 | 0 | 112.9 | N139 W169 N170 G173 R197 | T134-N139 PolarHBondContact O-ND2 3.23Å; T134-W169 HydrophobicContact CG2-CH2 4Å; T134-W169 HydrophobicContact CG2-CZ3 4.22Å; T134-N170 PolarHBondContact N-O 2.9Å; T134-N170 PolarHBondContact OG1-O 3.13Å; T134-G173 VanDerWaalsContact OG1-CA 3.26Å; T134-G173 WeakPolarHBondContact OG1-CA 3.45Å; T134-R197 PolarHBondContact OG1-NH2 3.37Å |
| 135 | Y | 92.8 | Very high | 94.4 | Very high | 84 Ų | 84 | 21 Ų | 21 | 33% | 0.329 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 13.5 | -176 | -51.8 | -60.2 | 0 | 0 | 0 | 113.5 | P14 G133 W169 | P14-Y135 HydrophobicContact CB-CD1 4.05Å; P14-Y135 HydrophobicContact CB-CD2 3.4Å; P14-Y135 VanDerWaalsContact CB-CD2 3.4Å; P14-Y135 HydrophobicContact CB-CE2 3.93Å; P14-Y135 HydrophobicContact CB-CG 3.46Å; P14-Y135 VanDerWaalsContact CB-CG 3.46Å; P14-Y135 HydrophobicContact CG-CD2 4.37Å; G133-Y135 VanDerWaalsContact C-N 3.3Å; G133-Y135 PolarHBondContact O-N 3.46Å; Y135-W169 HydrophobicContact CE2-CH2 4.36Å; Y135-W169 HydrophobicContact CE2-CZ3 4.11Å |
| 136 | D | 93 | Very high | 94.4 | Very high | 22 Ų | 22 | 21 Ų | 21 | 12% | 0.118 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -73.8 | 144.9 | 176.7 | -169 | -90.8 | 0 | 0 | 0 | 110 | V129 G130 V131 G132 G133 T138 N139 | V129-D136 HydrophobicContact CG1-CB 4.22Å; G130-D136 WeakPolarHBondContact CA-OD2 3.29Å; G130-D136 PolarHBondContact N-OD2 3.33Å; V131-D136 PolarHBondContact N-OD2 3.22Å; G132-D136 WeakPolarHBondContact O-CB 3.25Å; G133-D136 PolarHBondContact O-N 2.87Å; D136-T138 PolarHBondContact O-N 2.85Å; D136-T138 VanDerWaalsContact O-N 3.15Å; D136-T138 VanDerWaalsContact OD1-CB 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 3.29Å; D136-T138 VanDerWaalsContact OD1-CG2 3.31Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.39Å; D136-T138 PolarHBondContact OD1-N 3.37Å; D136-T138 PolarHBondContact OD1-OG1 2.93Å; D136-N139 WeakPolarHBondContact O-CB 3.1Å; D136-N139 PolarHBondContact O-N 3.42Å |
| 137 | S | 91.7 | Very high | 94.4 | Very high | 9 Ų | 9 | 21 Ų | 21 | 6% | 0.063 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -60.4 | -26.9 | -179.5 | -41.9 | 0 | 0 | 0 | 0 | 112.4 | F21 R107 N139 V140 | F21-S137 WeakPolarHBondContact CE1-O 3.07Å; R107-S137 WeakPolarHBondContact CD-OG 3.47Å; R107-S137 WeakPolarHBondContact CG-OG 3.22Å; R107-S137 PolarHBondContact NH1-OG 3.3Å; S137-N139 PolarHBondContact O-N 3.32Å; S137-V140 WeakPolarHBondContact O-CG2 3.26Å |
| 138 | T | 94.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -70.4 | -14.5 | 175.8 | 64.7 | 0 | 0 | 0 | 0 | 112.7 | H42 Y70 T110 I127 D136 V140 V141 | H42-T138 PolarHBondContact CE1-O 3.42Å; H42-T138 VanDerWaalsContact CE1-O 3.3Å; H42-T138 WeakPolarHBondContact NE2-CB 3.22Å; H42-T138 PolarHBondContact NE2-OG1 2.97Å; Y70-T138 HydrophobicContact CD1-CG2 4.27Å; Y70-T138 HydrophobicContact CE1-CG2 4.06Å; T110-T138 HydrophobicContact CG2-CG2 4.25Å; I127-T138 HydrophobicContact CG2-CG2 3.62Å; D136-T138 PolarHBondContact O-N 2.85Å; D136-T138 VanDerWaalsContact O-N 3.15Å; D136-T138 VanDerWaalsContact OD1-CB 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 3.29Å; D136-T138 VanDerWaalsContact OD1-CG2 3.31Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.39Å; D136-T138 PolarHBondContact OD1-N 3.37Å; D136-T138 PolarHBondContact OD1-OG1 2.93Å; T138-V140 PolarHBondContact O-N 3.32Å; T138-V141 WeakPolarHBondContact O-CG2 3.34Å; T138-V141 PolarHBondContact O-N 3.47Å |
| 139 | N | 95.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 5% | 0.053 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -77.2 | 1.9 | -178.6 | -153.5 | 28 | 0 | 0 | 0 | 114.6 | L18 G133 T134 D136 S137 V141 G173 K176 | L18-N139 HydrophobicContact CD2-CB 4.48Å; G133-N139 VanDerWaalsContact O-CB 3.23Å; G133-N139 WeakPolarHBondContact O-CB 3.29Å; G133-N139 VanDerWaalsContact O-CG 3.3Å; G133-N139 PolarHBondContact O-ND2 2.61Å; T134-N139 PolarHBondContact O-ND2 3.23Å; D136-N139 WeakPolarHBondContact O-CB 3.1Å; D136-N139 PolarHBondContact O-N 3.42Å; S137-N139 PolarHBondContact O-N 3.32Å; N139-V141 PolarHBondContact O-N 3.34Å; N139-G173 PolarHBondContact ND2-O 2.86Å; N139-G173 VanDerWaalsContact ND2-O 3.14Å; N139-G173 PolarHBondContact OD1-O 2.88Å; N139-K176 VanDerWaalsContact CG-NZ 3.34Å; N139-K176 PolarHBondContact ND2-NZ 3.28Å; N139-K176 PolarHBondContact O-NZ 2.78Å; N139-K176 WeakPolarHBondContact OD1-CE 3.5Å; N139-K176 PolarHBondContact OD1-NZ 3.29Å |
| 140 | V | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -65.3 | -15.4 | 163.5 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | L18 F21 E22 L32 L35 F114 S137 T138 R142 | L18-V140 HydrophobicContact CD1-CG1 3.85Å; F21-V140 HydrophobicContact CD1-CG1 3.43Å; F21-V140 VanDerWaalsContact CD1-CG1 3.43Å; F21-V140 HydrophobicContact CE1-CB 4.5Å; F21-V140 HydrophobicContact CE1-CG1 3.65Å; F21-V140 HydrophobicContact CE1-CG2 4.04Å; E22-V140 HydrophobicContact CG-CG1 3.7Å; L32-V140 HydrophobicContact CD2-CB 4.43Å; L35-V140 HydrophobicContact CD1-CB 4.44Å; L35-V140 HydrophobicContact CD1-CG2 3.81Å; F114-V140 HydrophobicContact CD2-CG2 4.45Å; F114-V140 HydrophobicContact CE2-CG2 3.42Å; F114-V140 VanDerWaalsContact CE2-CG2 3.42Å; F114-V140 HydrophobicContact CZ-CG2 3.75Å; S137-V140 WeakPolarHBondContact O-CG2 3.26Å; T138-V140 PolarHBondContact O-N 3.32Å; V140-R142 WeakPolarHBondContact O-CG 3.38Å; V140-R142 PolarHBondContact O-N 3.39Å; V140-R142 VanDerWaalsContact O-N 3.11Å |
| 141 | V | 95.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | trans | -64 | 110.3 | 168.2 | 175.6 | 0 | 0 | 0 | 0 | 108.6 | V40 F114 T138 N139 P144 K176 | V40-V141 HydrophobicContact CB-CG1 3.78Å; V40-V141 HydrophobicContact CG1-CG1 3.88Å; V40-V141 HydrophobicContact CG1-CG2 4.28Å; V40-V141 HydrophobicContact CG2-CG1 3.78Å; V40-V141 HydrophobicContact CG2-CG2 4.16Å; F114-V141 HydrophobicContact CE1-CG2 4.05Å; F114-V141 HydrophobicContact CZ-CG2 3.98Å; T138-V141 WeakPolarHBondContact O-CG2 3.34Å; T138-V141 PolarHBondContact O-N 3.47Å; N139-V141 PolarHBondContact O-N 3.34Å; V141-P144 HydrophobicContact CG1-CB 4.03Å; V141-P144 HydrophobicContact CG1-CG 4.41Å; V141-K176 VanDerWaalsContact O-CE 3.26Å; V141-K176 WeakPolarHBondContact O-CE 3.35Å | ||
| 142 | R | 94.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 21.9 Ų | 21.9 | 38% | 0.381 | 10% | 0.1 | S | C | . | . | trans | -88.2 | -35.6 | -174.5 | -56 | -177.1 | -59.1 | 170.7 | 7.2 | 112.7 | D36 V140 P144 K176 | D36-R142 IonicContact OD1-NE 2.68Å; D36-R142 IonicContact OD2-CZ 3.62Å; D36-R142 IonicContact OD2-NE 3.58Å; D36-R142 IonicContact OD2-NH2 3.81Å; D36-R142 PolarHBondContact OD2-NH2 3.2Å; V140-R142 WeakPolarHBondContact O-CG 3.38Å; V140-R142 PolarHBondContact O-N 3.39Å; V140-R142 VanDerWaalsContact O-N 3.11Å; R142-P144 VanDerWaalsContact C-CD 3.47Å; R142-P144 WeakPolarHBondContact O-CD 3.47Å; R142-K176 WeakPolarHBondContact O-CG 3.25Å | ||
| 143 | N | 94.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 22.2 Ų | 22.2 | 45% | 0.449 | 10% | 0.101 | S | C | . | . | trans | -126 | 64.3 | -173.9 | -61.2 | -67 | 0 | 0 | 0 | 112 | D36 V145 | D36-N143 PolarHBondContact OD1-ND2 3.44Å; D36-N143 PolarHBondContact OD2-ND2 3.4Å; N143-V145 PolarHBondContact O-N 3.48Å | ||
| 144 | P | 97.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | trans | -63.9 | 137.8 | 172.1 | 29 | -31.9 | 0 | 0 | 0 | 109.9 | V40 H42 V141 R142 V146 C147 K176 S179 | V40-P144 HydrophobicContact CB-CB 4.48Å; H42-P144 HydrophobicContact CB-CB 4.11Å; V141-P144 HydrophobicContact CG1-CB 4.03Å; V141-P144 HydrophobicContact CG1-CG 4.41Å; R142-P144 VanDerWaalsContact C-CD 3.47Å; R142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-V146 VanDerWaalsContact C-N 3.33Å; P144-C147 WeakPolarHBondContact CG-SG 3.38Å; P144-K176 HydrophobicContact CG-CB 4.12Å; P144-K176 HydrophobicContact CG-CG 3.75Å; P144-S179 WeakPolarHBondContact O-CB 3.31Å | ||
| 145 | V | 97.1 | Very high | 94 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 11% | 0.109 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -64.8 | -45.5 | 176.4 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | N39 V40 N143 W246 R249 T250 | N39-V145 HydrophobicContact CB-CG2 3.97Å; V40-V145 PolarHBondContact O-N 3.17Å; N143-V145 PolarHBondContact O-N 3.48Å; V145-W246 HydrophobicContact CG1-CB 4.5Å; V145-W246 HydrophobicContact CG1-CG 4.29Å; V145-R249 HydrophobicContact CG1-CB 3.56Å; V145-R249 HydrophobicContact CG1-CG 4.44Å; V145-R249 WeakPolarHBondContact O-CD 3.46Å; V145-R249 PolarHBondContact O-NH1 3.38Å; V145-T250 HydrophobicContact CG1-CG2 4.06Å; V145-T250 HydrophobicContact CG2-CG2 4.1Å |
| 146 | V | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 143.9 | 176.8 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | V41 H42 P144 V180 I182 L242 M245 W246 | V41-V146 WeakPolarHBondContact CA-O 3.5Å; V41-V146 HydrophobicContact CB-CG1 4.38Å; V41-V146 HydrophobicContact CG1-CG1 4.08Å; V41-V146 HydrophobicContact CG2-CG1 3.94Å; H42-V146 PolarHBondContact N-O 2.96Å; P144-V146 VanDerWaalsContact C-N 3.33Å; V146-V180 CarbonylContact C-O 3.58Å; V146-V180 VanDerWaalsContact CA-O 3.24Å; V146-V180 WeakPolarHBondContact CA-O 3.45Å; V146-V180 HydrophobicContact CG2-CB 4.39Å; V146-V180 HydrophobicContact CG2-CG1 4.4Å; V146-V180 WeakPolarHBondContact CG2-O 3.44Å; V146-I182 HydrophobicContact CG2-CD1 4.17Å; V146-I182 HydrophobicContact CG2-CG1 4.15Å; V146-L242 HydrophobicContact CB-CD2 4.45Å; V146-L242 HydrophobicContact CG1-CD2 4.11Å; V146-L242 HydrophobicContact CG2-CD2 3.57Å; V146-M245 HydrophobicContact CB-CG 4.17Å; V146-M245 HydrophobicContact CG2-CB 4.03Å; V146-M245 HydrophobicContact CG2-CG 3.75Å; V146-W246 HydrophobicContact CG1-CB 3.97Å |
| 147 | C | 98.4 | Very high | 93 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.3 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | H42 P144 V174 L175 V180 A181 I182 L242 | H42-C147 CarbonylContact O-C 3.42Å; H42-C147 WeakPolarHBondContact O-CA 3.4Å; P144-C147 WeakPolarHBondContact CG-SG 3.38Å; C147-V174 HydrophobicContact CB-CG2 4.35Å; C147-V174 PolarHBondContact SG-O 3.38Å; C147-L175 HydrophobicContact CB-CD1 4.44Å; C147-V180 PolarHBondContact N-O 3.11Å; C147-A181 HydrophobicContact CB-CB 4.44Å; C147-A181 CarbonylContact O-C 3.53Å; C147-A181 WeakPolarHBondContact O-CA 3.42Å; C147-I182 PolarHBondContact O-N 2.95Å; C147-L242 WeakPolarHBondContact O-CD2 3.45Å |
| 148 | G | 98.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H42 V43 A44 I182 | H42-G148 PolarHBondContact O-N 3.38Å; V43-G148 WeakPolarHBondContact CA-O 3.35Å; A44-G148 PolarHBondContact N-O 3.41Å; G148-I182 CarbonylContact C-O 3.59Å; G148-I182 VanDerWaalsContact CA-O 3.31Å; G148-I182 WeakPolarHBondContact CA-O 3.03Å |
| 149 | I | 98.3 | Very high | 92 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 106.9 | 165.1 | -57.3 | -173.5 | 0 | 0 | 0 | 108.5 | A44 L152 A172 L175 I182 T183 V184 I194 | A44-I149 WeakPolarHBondContact O-CA 3.35Å; I149-L152 HydrophobicContact CG2-CD1 4.33Å; I149-L152 HydrophobicContact CG2-CD2 3.88Å; I149-L152 HydrophobicContact CG2-CG 4.02Å; I149-A172 HydrophobicContact CD1-CB 4.21Å; I149-L175 HydrophobicContact CD1-CD1 3.76Å; I149-L175 HydrophobicContact CG1-CD1 4.28Å; I149-I182 PolarHBondContact N-O 2.92Å; I149-T183 WeakPolarHBondContact O-CA 3.22Å; I149-T183 PolarHBondContact O-OG1 3.17Å; I149-V184 PolarHBondContact O-N 3.27Å; I149-V184 VanDerWaalsContact O-N 3.11Å; I149-I194 HydrophobicContact CD1-CD1 4.11Å; I149-I194 HydrophobicContact CD1-CG1 4.03Å; I149-I194 HydrophobicContact CD1-CG2 3.81Å; I149-I194 HydrophobicContact CG2-CD1 4.18Å |
| 150 | T | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -74 | 175.6 | 171.3 | 75.5 | 0 | 0 | 0 | 0 | 110.7 | V43 A44 G45 K47 K49 C52 L152 Q186 L238 | V43-T150 HydrophobicContact CG1-CG2 3.76Å; A44-T150 PolarHBondContact O-N 3.41Å; G45-T150 WeakPolarHBondContact CA-OG1 3.31Å; K47-T150 WeakPolarHBondContact O-CB 3.3Å; K47-T150 PolarHBondContact O-OG1 3.24Å; K49-T150 HydrophobicContact CG-CG2 4.36Å; C52-T150 HydrophobicContact CB-CG2 3.84Å; T150-L152 PolarHBondContact O-N 3Å; T150-L152 VanDerWaalsContact O-N 3.17Å; T150-Q186 PolarHBondContact O-NE2 3.36Å; T150-L238 HydrophobicContact CG2-CD2 3.83Å | ||
| 151 | R | 94.4 | Very high | 91.4 | Very high | 92 Ų | 92 | 39.5 Ų | 39.5 | 35% | 0.347 | 19% | 0.193 | S | C | . | . | B | Isolated β-bridge | trans | -50.5 | 125.6 | -176.2 | -172.6 | 73.8 | 64.1 | 79.3 | 7.7 | 111.4 | T46 K47 V184 E234 | T46-R151 WeakPolarHBondContact CA-O 3.5Å; T46-R151 WeakPolarHBondContact CB-O 3.49Å; T46-R151 PolarHBondContact N-O 2.82Å; K47-R151 HydrophobicContact CB-CB 4.28Å; K47-R151 PolarHBondContact N-O 3.25Å; R151-V184 HydrophobicContact CB-CG2 4.23Å; R151-E234 IonicContact CZ-OE1 3.58Å; R151-E234 IonicContact CZ-OE2 3.78Å; R151-E234 IonicContact NE-OE1 2.69Å; R151-E234 PolarHBondContact NE-OE1 2.87Å; R151-E234 IonicContact NE-OE2 3.2Å; R151-E234 PolarHBondContact NE-OE2 3.47Å; R151-E234 IonicContact NH2-OE1 3.46Å; R151-E234 PolarHBondContact NH2-OE1 3.16Å; R151-E234 IonicContact NH2-OE2 3.94Å; R151-E234 PolarHBondContact NH2-OE2 3.24Å |
| 152 | L | 93.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | trans | -85.4 | 146.9 | 172.8 | -61.5 | -175.6 | 0 | 0 | 0 | 110.3 | I149 T150 I164 A168 K171 A190 I194 | I149-L152 HydrophobicContact CG2-CD1 4.33Å; I149-L152 HydrophobicContact CG2-CD2 3.88Å; I149-L152 HydrophobicContact CG2-CG 4.02Å; T150-L152 PolarHBondContact O-N 3Å; T150-L152 VanDerWaalsContact O-N 3.17Å; L152-I164 HydrophobicContact CB-CD1 4.15Å; L152-A168 HydrophobicContact CD1-CB 3.64Å; L152-K171 HydrophobicContact CD2-CB 4.1Å; L152-K171 HydrophobicContact CD2-CD 3.4Å; L152-K171 VanDerWaalsContact CD2-CD 3.4Å; L152-K171 HydrophobicContact CD2-CG 4.4Å; L152-A190 HydrophobicContact CD1-CB 4.08Å; L152-I194 HydrophobicContact CD1-CD1 3.76Å; L152-I194 HydrophobicContact CD1-CG1 4.33Å | ||
| 153 | D | 88.9 | Confident | 91.3 | Very high | 14 Ų | 14 | 42 Ų | 42 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | trans | -165.1 | 164.8 | -176.9 | -175.3 | 23.8 | 0 | 0 | 0 | 109.1 | T46 D155 L315 | T46-D153 HydrophobicContact CG2-CB 3.79Å; T46-D153 PolarHBondContact OG1-N 3.2Å; T46-D153 VanDerWaalsContact OG1-N 3.16Å; T46-D153 PolarHBondContact OG1-O 3.4Å; D153-D155 PolarHBondContact O-N 3.5Å; D153-D155 VanDerWaalsContact O-N 3.12Å; D153-L315 HydrophobicContact CB-CD1 3.58Å; D153-L315 HydrophobicContact CB-CG 4.36Å; D153-L315 WeakPolarHBondContact OD1-CD1 3.47Å; D153-L315 VanDerWaalsContact OD2-CB 3.27Å; D153-L315 WeakPolarHBondContact OD2-CB 3.47Å; D153-L315 WeakPolarHBondContact OD2-CD1 3.33Å; D153-L315 WeakPolarHBondContact OD2-CG 3.25Å | ||
| 154 | Y | 84.5 | Confident | 91.3 | Very high | 110 Ų | 110 | 38.5 Ų | 38.5 | 43% | 0.431 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -67.7 | 100 | 174.5 | -60.7 | -86.9 | 0 | 0 | 0 | 110.9 | I164 I167 | Y154-I164 HydrophobicContact CE1-CB 4.35Å; Y154-I167 HydrophobicContact CD1-CD1 4.1Å |
| 155 | D | 79.8 | Confident | 91.3 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | trans | -146 | 151.6 | 169.6 | -163.1 | 6.3 | 0 | 0 | 0 | 108.7 | T46 D153 T157 T313 R351 | T46-D155 HydrophobicContact CG2-CB 3.52Å; D153-D155 PolarHBondContact O-N 3.5Å; D153-D155 VanDerWaalsContact O-N 3.12Å; D155-T157 VanDerWaalsContact C-N 3.26Å; D155-T157 PolarHBondContact O-N 2.98Å; D155-T313 HydrophobicContact CB-CG2 4.37Å; D155-R351 IonicContact OD1-NH2 3.28Å; D155-R351 IonicContact OD2-NH2 2.86Å | ||
| 156 | H | 80.8 | Confident | 91.3 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | trans | 52.8 | 39.2 | -176.9 | -53.8 | -68.3 | 0 | 0 | 0 | 114.2 | V131 N158 I159 L160 | V131-H156 HydrophobicContact CG1-CB 3.66Å; H156-N158 PolarHBondContact O-N 3.04Å; H156-N158 VanDerWaalsContact O-N 3.15Å; H156-I159 PolarHBondContact O-N 2.86Å; H156-L160 HydrophobicContact CB-CD1 3.98Å; H156-L160 HydrophobicContact CB-CG 4.06Å; H156-L160 PolarHBondContact O-N 3.42Å | ||
| 157 | T | 84.6 | Confident | 91.2 | Very high | 63 Ų | 63 | 45.5 Ų | 45.5 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.8 | -25.3 | -174.5 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | D155 I159 G161 | D155-T157 VanDerWaalsContact C-N 3.26Å; D155-T157 PolarHBondContact O-N 2.98Å; T157-I159 PolarHBondContact O-N 3.43Å; T157-G161 CarbonylContact C-O 3.34Å; T157-G161 WeakPolarHBondContact CA-O 3.01Å; T157-G161 VanDerWaalsContact CB-O 3.29Å; T157-G161 WeakPolarHBondContact CB-O 3.48Å; T157-G161 CarbonylContact O-C 3.13Å; T157-G161 PolarHBondContact O-N 2.93Å; T157-G161 VanDerWaalsContact O-O 3.1Å |
| 158 | N | 82.4 | Confident | 91.1 | Very high | 138 Ų | 138 | 45.5 Ų | 45.5 | 74% | 0.738 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.4 | -19.8 | 171.8 | 66.5 | -40.9 | 0 | 0 | 0 | 114.1 | H156 | H156-N158 PolarHBondContact O-N 3.04Å; H156-N158 VanDerWaalsContact O-N 3.15Å |
| 159 | I | 83.9 | Confident | 91.1 | Very high | 103 Ų | 103 | 50 Ų | 50 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -112.3 | -38.5 | -179 | -63.5 | 165.6 | 0 | 0 | 0 | 111.2 | V131 H156 T157 | V131-I159 HydrophobicContact CG1-CD1 4.29Å; V131-I159 HydrophobicContact CG1-CG2 4.23Å; H156-I159 PolarHBondContact O-N 2.86Å; T157-I159 PolarHBondContact O-N 3.43Å |
| 160 | L | 87.7 | Confident | 91.1 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -99.2 | -9 | -169.9 | -60.2 | -176.7 | 0 | 0 | 0 | 114.2 | V131 G132 H156 E166 I167 N170 | V131-L160 HydrophobicContact CG1-CD1 4.27Å; V131-L160 HydrophobicContact CG1-CD2 4.2Å; V131-L160 HydrophobicContact CG1-CG 4.2Å; V131-L160 WeakPolarHBondContact O-CD1 3.2Å; G132-L160 VanDerWaalsContact CA-CD2 3.5Å; H156-L160 HydrophobicContact CB-CD1 3.98Å; H156-L160 HydrophobicContact CB-CG 4.06Å; H156-L160 PolarHBondContact O-N 3.42Å; L160-E166 CarbonylContact O-C 3.46Å; L160-E166 WeakPolarHBondContact O-CB 2.67Å; L160-I167 HydrophobicContact CB-CG1 3.96Å; L160-N170 HydrophobicContact CD2-CB 4.2Å |
| 161 | G | 89.5 | Confident | 91.1 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | trans | 105.7 | 168.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T157 E166 | T157-G161 CarbonylContact C-O 3.34Å; T157-G161 WeakPolarHBondContact CA-O 3.01Å; T157-G161 VanDerWaalsContact CB-O 3.29Å; T157-G161 WeakPolarHBondContact CB-O 3.48Å; T157-G161 CarbonylContact O-C 3.13Å; T157-G161 PolarHBondContact O-N 2.93Å; T157-G161 VanDerWaalsContact O-O 3.1Å; G161-E166 VanDerWaalsContact CA-OE2 3.24Å; G161-E166 WeakPolarHBondContact CA-OE2 3.08Å | ||
| 162 | T | 92.2 | Very high | 91.3 | Very high | 108 Ų | 108 | 46.5 Ų | 46.5 | 66% | 0.663 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -97.8 | -10.1 | -174.7 | 58.3 | 0 | 0 | 0 | 0 | 113 | E166 | T162-E166 PolarHBondContact N-OE2 3.43Š|
| 163 | T | 95.3 | Very high | 91.4 | Very high | 50 Ų | 50 | 46.5 Ų | 46.5 | 31% | 0.307 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -108.5 | 156 | 178.1 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | E165 E166 I167 | T163-E165 WeakPolarHBondContact CB-OE2 3.28Å; T163-E165 PolarHBondContact O-N 2.91Å; T163-E165 PolarHBondContact OG1-OE2 2.97Å; T163-E166 PolarHBondContact N-OE2 3.33Å; T163-E166 PolarHBondContact O-N 3.4Å; T163-E166 VanDerWaalsContact OG1-CG 3.3Å; T163-E166 WeakPolarHBondContact OG1-CG 3.2Å; T163-E166 PolarHBondContact OG1-N 3.4Å; T163-E166 PolarHBondContact OG1-OE2 3.03Å; T163-I167 WeakPolarHBondContact O-CG1 3.08Å; T163-I167 PolarHBondContact O-N 2.89Å |
| 164 | I | 94.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.046 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -29.1 | 176 | -169.9 | 61.5 | 0 | 0 | 0 | 111.5 | L152 Y154 A168 A189 A190 | L152-I164 HydrophobicContact CB-CD1 4.15Å; Y154-I164 HydrophobicContact CE1-CB 4.35Å; I164-A168 WeakPolarHBondContact O-CB 3.24Å; I164-A168 PolarHBondContact O-N 3.18Å; I164-A189 HydrophobicContact CG2-CB 3.71Å; I164-A190 HydrophobicContact CG1-CB 3.89Å |
| 165 | E | 97.8 | Very high | 92.5 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 175.8 | -65.6 | 85.8 | 167.6 | 0 | 0 | 112 | T163 A168 W169 A189 V193 | T163-E165 WeakPolarHBondContact CB-OE2 3.28Å; T163-E165 PolarHBondContact O-N 2.91Å; T163-E165 PolarHBondContact OG1-OE2 2.97Å; E165-A168 PolarHBondContact O-N 3.41Å; E165-W169 VanDerWaalsContact O-CB 3.29Å; E165-W169 WeakPolarHBondContact O-CB 3.25Å; E165-W169 PolarHBondContact O-N 2.87Å; E165-A189 HydrophobicContact CG-CB 4.29Å; E165-A189 WeakPolarHBondContact OE1-CB 3.48Å; E165-V193 HydrophobicContact CB-CG2 3.84Å; E165-V193 HydrophobicContact CG-CG2 3.9Å |
| 166 | E | 97.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 41.9 Ų | 41.9 | 41% | 0.407 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 176.8 | -69.9 | 174.2 | 119.7 | 0 | 0 | 111 | L160 G161 T162 T163 W169 N170 | L160-E166 CarbonylContact O-C 3.46Å; L160-E166 WeakPolarHBondContact O-CB 2.67Å; G161-E166 VanDerWaalsContact CA-OE2 3.24Å; G161-E166 WeakPolarHBondContact CA-OE2 3.08Å; T162-E166 PolarHBondContact N-OE2 3.43Å; T163-E166 PolarHBondContact N-OE2 3.33Å; T163-E166 PolarHBondContact O-N 3.4Å; T163-E166 VanDerWaalsContact OG1-CG 3.3Å; T163-E166 WeakPolarHBondContact OG1-CG 3.2Å; T163-E166 PolarHBondContact OG1-N 3.4Å; T163-E166 PolarHBondContact OG1-OE2 3.03Å; E166-W169 PolarHBondContact O-N 2.93Å; E166-N170 WeakPolarHBondContact O-CB 3.27Å; E166-N170 PolarHBondContact O-N 3.28Å |
| 167 | I | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.2 | -66.6 | 170.5 | 0 | 0 | 0 | 110.7 | Y154 L160 T163 N170 K171 | Y154-I167 HydrophobicContact CD1-CD1 4.1Å; L160-I167 HydrophobicContact CB-CG1 3.96Å; T163-I167 WeakPolarHBondContact O-CG1 3.08Å; T163-I167 PolarHBondContact O-N 2.89Å; I167-N170 PolarHBondContact O-N 2.81Å; I167-K171 HydrophobicContact CG2-CD 3.84Å; I167-K171 WeakPolarHBondContact O-CB 3.25Å; I167-K171 WeakPolarHBondContact O-CG 3.15Å; I167-K171 PolarHBondContact O-N 3.29Å |
| 168 | A | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L152 I164 E165 N170 K171 A172 A190 V193 | L152-A168 HydrophobicContact CD1-CB 3.64Å; I164-A168 WeakPolarHBondContact O-CB 3.24Å; I164-A168 PolarHBondContact O-N 3.18Å; E165-A168 PolarHBondContact O-N 3.41Å; A168-N170 VanDerWaalsContact C-N 3.32Å; A168-N170 PolarHBondContact O-N 2.79Å; A168-K171 PolarHBondContact O-N 3.17Å; A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 2.99Å; A168-A190 HydrophobicContact CB-CB 4.28Å; A168-V193 HydrophobicContact CB-CB 3.92Å; A168-V193 HydrophobicContact CB-CG1 3.93Å |
| 169 | W | 97.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 46.4 Ų | 46.4 | 36% | 0.36 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 177.7 | 179 | 92.5 | 0 | 0 | 0 | 110.8 | T134 Y135 E165 E166 G173 V193 | T134-W169 HydrophobicContact CG2-CH2 4Å; T134-W169 HydrophobicContact CG2-CZ3 4.22Å; Y135-W169 HydrophobicContact CE2-CH2 4.36Å; Y135-W169 HydrophobicContact CE2-CZ3 4.11Å; E165-W169 VanDerWaalsContact O-CB 3.29Å; E165-W169 WeakPolarHBondContact O-CB 3.25Å; E165-W169 PolarHBondContact O-N 2.87Å; E166-W169 PolarHBondContact O-N 2.93Å; W169-G173 PolarHBondContact O-N 2.75Å; W169-V193 VanDerWaalsContact CA-CG1 3.49Å; W169-V193 HydrophobicContact CB-CG1 3.74Å; W169-V193 VanDerWaalsContact N-CG1 3.33Å |
| 170 | N | 97.3 | Very high | 94.8 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -51.1 | -178.4 | -163.4 | -61.5 | 0 | 0 | 0 | 110.5 | G132 G133 T134 L160 E166 I167 A168 A172 G173 | G132-N170 WeakPolarHBondContact CA-OD1 3.48Å; G133-N170 CarbonylContact C-O 3.6Å; G133-N170 WeakPolarHBondContact CA-O 2.96Å; G133-N170 PolarHBondContact N-O 3.1Å; G133-N170 PolarHBondContact N-OD1 3.29Å; T134-N170 PolarHBondContact N-O 2.9Å; T134-N170 PolarHBondContact OG1-O 3.13Å; L160-N170 HydrophobicContact CD2-CB 4.2Å; E166-N170 WeakPolarHBondContact O-CB 3.27Å; E166-N170 PolarHBondContact O-N 3.28Å; I167-N170 PolarHBondContact O-N 2.81Å; A168-N170 VanDerWaalsContact C-N 3.32Å; A168-N170 PolarHBondContact O-N 2.79Å; N170-A172 PolarHBondContact O-N 3.37Å; N170-G173 PolarHBondContact O-N 3.37Å |
| 171 | K | 97.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.3 | -31.7 | -177.8 | -73 | 172.8 | -177.2 | -61.8 | 0 | 113.1 | A44 G45 T46 V131 L152 I167 A168 G173 | A44-K171 HydrophobicContact CB-CB 4.38Å; A44-K171 WeakPolarHBondContact CB-O 3.29Å; G45-K171 WeakPolarHBondContact O-CE 3.37Å; G45-K171 PolarHBondContact O-NZ 3.02Å; T46-K171 VanDerWaalsContact OG1-CE 3.29Å; T46-K171 WeakPolarHBondContact OG1-CE 3.33Å; V131-K171 PolarHBondContact O-NZ 2.9Å; L152-K171 HydrophobicContact CD2-CB 4.1Å; L152-K171 HydrophobicContact CD2-CD 3.4Å; L152-K171 VanDerWaalsContact CD2-CD 3.4Å; L152-K171 HydrophobicContact CD2-CG 4.4Å; I167-K171 HydrophobicContact CG2-CD 3.84Å; I167-K171 WeakPolarHBondContact O-CB 3.25Å; I167-K171 WeakPolarHBondContact O-CG 3.15Å; I167-K171 PolarHBondContact O-N 3.29Å; A168-K171 PolarHBondContact O-N 3.17Å; K171-G173 PolarHBondContact O-N 2.93Å |
| 172 | A | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -69.3 | -6.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I149 A168 N170 V174 L175 I194 R197 | I149-A172 HydrophobicContact CD1-CB 4.21Å; A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 2.99Å; N170-A172 PolarHBondContact O-N 3.37Å; A172-V174 PolarHBondContact O-N 3.39Å; A172-V174 VanDerWaalsContact O-N 3.14Å; A172-L175 WeakPolarHBondContact O-CB 3.49Å; A172-L175 WeakPolarHBondContact O-CD1 3.18Å; A172-L175 PolarHBondContact O-N 3.03Å; A172-I194 HydrophobicContact CB-CG1 4.25Å; A172-R197 HydrophobicContact CB-CB 3.95Å; A172-R197 HydrophobicContact CB-CG 4.02Å |
| 173 | G | 97 | Very high | 96 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -65.5 | -8.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116 | T134 N139 W169 N170 K171 L175 | T134-G173 VanDerWaalsContact OG1-CA 3.26Å; T134-G173 WeakPolarHBondContact OG1-CA 3.45Å; N139-G173 PolarHBondContact ND2-O 2.86Å; N139-G173 VanDerWaalsContact ND2-O 3.14Å; N139-G173 PolarHBondContact OD1-O 2.88Å; W169-G173 PolarHBondContact O-N 2.75Å; N170-G173 PolarHBondContact O-N 3.37Å; K171-G173 PolarHBondContact O-N 2.93Å; G173-L175 VanDerWaalsContact C-N 3.29Å |
| 174 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -77.7 | -15.5 | 170.3 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | A44 V129 C147 A172 K176 | A44-V174 HydrophobicContact CB-CG1 4.04Å; A44-V174 HydrophobicContact CB-CG2 3.74Å; V129-V174 HydrophobicContact CG2-CG1 3.77Å; C147-V174 HydrophobicContact CB-CG2 4.35Å; C147-V174 PolarHBondContact SG-O 3.38Å; A172-V174 PolarHBondContact O-N 3.39Å; A172-V174 VanDerWaalsContact O-N 3.14Å; V174-K176 PolarHBondContact O-N 3.39Å |
| 175 | L | 98 | Very high | 96 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | trans | -67.5 | 128 | 175.2 | -82.8 | 57.6 | 0 | 0 | 0 | 109.3 | C147 I149 A172 G173 A181 I194 A198 V201 C203 | C147-L175 HydrophobicContact CB-CD1 4.44Å; I149-L175 HydrophobicContact CD1-CD1 3.76Å; I149-L175 HydrophobicContact CG1-CD1 4.28Å; A172-L175 WeakPolarHBondContact O-CB 3.49Å; A172-L175 WeakPolarHBondContact O-CD1 3.18Å; A172-L175 PolarHBondContact O-N 3.03Å; G173-L175 VanDerWaalsContact C-N 3.29Å; L175-A181 HydrophobicContact CD1-CB 4.07Å; L175-A181 HydrophobicContact CD2-CB 3.92Å; L175-A181 HydrophobicContact CG-CB 3.71Å; L175-I194 HydrophobicContact CD2-CG2 4.46Å; L175-A198 HydrophobicContact CD2-CB 3.75Å; L175-V201 HydrophobicContact CB-CG2 4.01Å; L175-C203 HydrophobicContact CB-CB 4.48Å | ||
| 176 | K | 96.8 | Very high | 95.8 | Very high | 42 Ų | 42 | 34 Ų | 34 | 18% | 0.183 | 15% | 0.149 | C | C | . | . | trans | -120 | 157.7 | -179.6 | -56.8 | -63.4 | 178.9 | 165.8 | 0 | 110.8 | N139 V141 R142 P144 V174 R178 S179 | N139-K176 VanDerWaalsContact CG-NZ 3.34Å; N139-K176 PolarHBondContact ND2-NZ 3.28Å; N139-K176 PolarHBondContact O-NZ 2.78Å; N139-K176 WeakPolarHBondContact OD1-CE 3.5Å; N139-K176 PolarHBondContact OD1-NZ 3.29Å; V141-K176 VanDerWaalsContact O-CE 3.26Å; V141-K176 WeakPolarHBondContact O-CE 3.35Å; R142-K176 WeakPolarHBondContact O-CG 3.25Å; P144-K176 HydrophobicContact CG-CB 4.12Å; P144-K176 HydrophobicContact CG-CG 3.75Å; V174-K176 PolarHBondContact O-N 3.39Å; K176-R178 PolarHBondContact O-N 2.98Å; K176-S179 PolarHBondContact N-OG 3.37Å; K176-S179 PolarHBondContact O-N 3.24Å; K176-S179 VanDerWaalsContact O-N 3.17Å; K176-S179 PolarHBondContact O-OG 3.02Å | ||
| 177 | R | 93.7 | Very high | 95.6 | Very high | 141 Ų | 141 | 35.3 Ų | 35.3 | 53% | 0.532 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 140.5 | 172.3 | -178.4 | 178.4 | -83.8 | 136.4 | -5.2 | 109.7 | S179 V201 E202 | R177-S179 PolarHBondContact O-N 3.29Å; R177-V201 WeakPolarHBondContact CA-O 2.91Å; R177-V201 WeakPolarHBondContact CB-O 3.48Å; R177-E202 IonicContact CZ-OE1 3.5Å; R177-E202 IonicContact NE-OE1 3.35Å; R177-E202 PolarHBondContact NE-OE1 3.36Å; R177-E202 IonicContact NE-OE2 3.8Å; R177-E202 IonicContact NH2-OE1 2.79Å; R177-E202 PolarHBondContact NH2-OE1 3.24Å |
| 178 | R | 84.4 | Confident | 95.7 | Very high | 203 Ų | 203 | 42.3 Ų | 42.3 | 77% | 0.766 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -3.5 | -176.4 | -61.1 | 163.4 | -177.3 | -174.6 | 0.4 | 115.3 | K176 R249 | K176-R178 PolarHBondContact O-N 2.98Å; R178-R249 VanDerWaalsContact O-CZ 3.26Å; R178-R249 PolarHBondContact O-NH1 3.29Å; R178-R249 PolarHBondContact O-NH2 3.2Å |
| 179 | S | 90.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | trans | -77.1 | 163.8 | 168.7 | 74.7 | 0 | 0 | 0 | 0 | 110.2 | P144 K176 R177 C203 R249 | P144-S179 WeakPolarHBondContact O-CB 3.31Å; K176-S179 PolarHBondContact N-OG 3.37Å; K176-S179 PolarHBondContact O-N 3.24Å; K176-S179 VanDerWaalsContact O-N 3.17Å; K176-S179 PolarHBondContact O-OG 3.02Å; R177-S179 PolarHBondContact O-N 3.29Å; S179-C203 PolarHBondContact O-SG 3.38Å; S179-C203 PolarHBondContact OG-SG 3.34Å; S179-R249 VanDerWaalsContact C-NH1 3.32Å; S179-R249 VanDerWaalsContact CA-NH1 3.33Å | ||
| 180 | V | 95.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 39 Ų | 39 | 9% | 0.085 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.4 | 167 | 171.1 | 0 | 0 | 0 | 0 | 107.3 | V146 C147 I182 A204 Y206 M245 | V146-V180 CarbonylContact C-O 3.58Å; V146-V180 VanDerWaalsContact CA-O 3.24Å; V146-V180 WeakPolarHBondContact CA-O 3.45Å; V146-V180 HydrophobicContact CG2-CB 4.39Å; V146-V180 HydrophobicContact CG2-CG1 4.4Å; V146-V180 WeakPolarHBondContact CG2-O 3.44Å; C147-V180 PolarHBondContact N-O 3.11Å; V180-I182 HydrophobicContact CG1-CG1 4.36Å; V180-A204 HydrophobicContact CG2-CB 4.39Å; V180-Y206 HydrophobicContact CG1-CD2 3.65Å; V180-Y206 HydrophobicContact CG1-CE2 3.64Å; V180-M245 HydrophobicContact CB-CG 4.06Å; V180-M245 HydrophobicContact CB-SD 4.29Å; V180-M245 HydrophobicContact CG1-CE 4.13Å; V180-M245 HydrophobicContact CG1-CG 3.81Å; V180-M245 HydrophobicContact CG1-SD 4.02Å; V180-M245 HydrophobicContact CG2-SD 4.17Å |
| 181 | A | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | C147 L175 A204 L205 Y206 | C147-A181 HydrophobicContact CB-CB 4.44Å; C147-A181 CarbonylContact O-C 3.53Å; C147-A181 WeakPolarHBondContact O-CA 3.42Å; L175-A181 HydrophobicContact CD1-CB 4.07Å; L175-A181 HydrophobicContact CD2-CB 3.92Å; L175-A181 HydrophobicContact CG-CB 3.71Å; A181-A204 PolarHBondContact N-O 2.6Å; A181-L205 HydrophobicContact CB-CD1 3.78Å; A181-L205 CarbonylContact O-C 3.57Å; A181-L205 WeakPolarHBondContact O-CA 3.4Å; A181-Y206 PolarHBondContact O-N 3.09Å |
| 182 | I | 98 | Very high | 95.7 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128 | 175 | -47.3 | -175.7 | 0 | 0 | 0 | 107.5 | V146 C147 G148 I149 V180 Y206 C208 L238 Q241 L242 M245 | V146-I182 HydrophobicContact CG2-CD1 4.17Å; V146-I182 HydrophobicContact CG2-CG1 4.15Å; C147-I182 PolarHBondContact O-N 2.95Å; G148-I182 CarbonylContact C-O 3.59Å; G148-I182 VanDerWaalsContact CA-O 3.31Å; G148-I182 WeakPolarHBondContact CA-O 3.03Å; I149-I182 PolarHBondContact N-O 2.92Å; V180-I182 HydrophobicContact CG1-CG1 4.36Å; I182-Y206 WeakPolarHBondContact CA-O 3.34Å; I182-C208 HydrophobicContact CG2-CB 4.14Å; I182-L238 HydrophobicContact CB-CD1 3.84Å; I182-L238 HydrophobicContact CG2-CD1 3.61Å; I182-L238 WeakPolarHBondContact O-CD1 3.41Å; I182-Q241 HydrophobicContact CD1-CB 3.8Å; I182-Q241 HydrophobicContact CG2-CB 4.11Å; I182-L242 HydrophobicContact CB-CD2 4.09Å; I182-L242 HydrophobicContact CD1-CD2 4.24Å; I182-L242 HydrophobicContact CG1-CD2 4.25Å; I182-M245 HydrophobicContact CD1-CB 3.93Å; I182-M245 HydrophobicContact CD1-CG 4.35Å |
| 183 | T | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.2 | 175.3 | -179 | 0 | 0 | 0 | 0 | 110.2 | I149 Q186 F191 L205 Y206 V207 C208 | I149-T183 WeakPolarHBondContact O-CA 3.22Å; I149-T183 PolarHBondContact O-OG1 3.17Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.46Å; T183-Q186 PolarHBondContact OG1-NE2 2.82Å; T183-F191 HydrophobicContact CG2-CD2 4.43Å; T183-F191 HydrophobicContact CG2-CE2 4.32Å; T183-L205 HydrophobicContact CG2-CD1 4.13Å; T183-Y206 PolarHBondContact N-O 3.29Å; T183-V207 HydrophobicContact CG2-CG2 4.03Å; T183-V207 CarbonylContact O-C 3.59Å; T183-V207 VanDerWaalsContact O-CA 3.29Å; T183-V207 WeakPolarHBondContact O-CA 3.4Å; T183-C208 PolarHBondContact O-N 3.39Å |
| 184 | V | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -63.5 | 161.7 | 159 | -56 | 0 | 0 | 0 | 0 | 110.2 | I149 R151 Q186 E234 L238 | I149-V184 PolarHBondContact O-N 3.27Å; I149-V184 VanDerWaalsContact O-N 3.11Å; R151-V184 HydrophobicContact CB-CG2 4.23Å; V184-Q186 WeakPolarHBondContact O-CG 3.39Å; V184-Q186 PolarHBondContact O-N 2.87Å; V184-E234 HydrophobicContact CB-CG 3.69Å; V184-E234 HydrophobicContact CG1-CG 3.47Å; V184-E234 VanDerWaalsContact CG1-CG 3.47Å; V184-L238 HydrophobicContact CG1-CB 3.91Å; V184-L238 HydrophobicContact CG1-CD2 3.87Å; V184-L238 HydrophobicContact CG1-CG 4.4Å | ||
| 185 | P | 94 | Very high | 95.8 | Very high | 66 Ų | 66 | 47.6 Ų | 47.6 | 43% | 0.429 | 22% | 0.221 | S | C | . | . | trans | -52.3 | 125.6 | 165.7 | -25.4 | 35.5 | 0 | 0 | 0 | 110.5 | V207 | P185-V207 HydrophobicContact CB-CG1 4.46Å; P185-V207 HydrophobicContact CG-CG1 4.02Å | ||
| 186 | Q | 94.4 | Very high | 95.8 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | trans | -113 | 163.3 | 179.1 | -56.4 | -68.9 | -9.2 | 0 | 0 | 110.2 | T150 T183 V184 A190 F191 I194 | T150-Q186 PolarHBondContact O-NE2 3.36Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.46Å; T183-Q186 PolarHBondContact OG1-NE2 2.82Å; V184-Q186 WeakPolarHBondContact O-CG 3.39Å; V184-Q186 PolarHBondContact O-N 2.87Å; Q186-A190 HydrophobicContact CB-CB 4.02Å; Q186-F191 HydrophobicContact CB-CB 4.16Å; Q186-I194 HydrophobicContact CG-CD1 3.82Å | ||
| 187 | E | 93.2 | Very high | 95.8 | Very high | 116 Ų | 116 | 51.5 Ų | 51.5 | 54% | 0.542 | 24% | 0.238 | S | C | . | . | trans | -57.4 | 155.1 | 164.4 | -64.7 | -176.7 | -175.1 | 0 | 0 | 111.3 | A189 A190 F191 | E187-A189 PolarHBondContact O-N 2.89Å; E187-A190 PolarHBondContact O-N 3.05Å; E187-F191 WeakPolarHBondContact O-CB 3.3Å; E187-F191 PolarHBondContact O-N 3.32Å | ||
| 188 | K | 96.9 | Very high | 96 | Very high | 147 Ų | 147 | 44.9 Ų | 44.9 | 64% | 0.639 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -55.5 | -50.9 | -172.1 | -176.9 | -178.5 | 170.8 | -171.5 | 0 | 112.5 | F191 E192 | K188-F191 PolarHBondContact O-N 3.29Å; K188-E192 WeakPolarHBondContact CE-OE1 3.05Å; K188-E192 WeakPolarHBondContact CG-OE1 3.38Å; K188-E192 IonicContact NZ-OE1 2.81Å; K188-E192 WeakPolarHBondContact O-CG 3.49Å; K188-E192 PolarHBondContact O-N 2.61Å |
| 189 | A | 97.2 | Very high | 96.6 | Very high | 24 Ų | 24 | 42 Ų | 42 | 20% | 0.198 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I164 E165 E187 F191 E192 V193 | I164-A189 HydrophobicContact CG2-CB 3.71Å; E165-A189 HydrophobicContact CG-CB 4.29Å; E165-A189 WeakPolarHBondContact OE1-CB 3.48Å; E187-A189 PolarHBondContact O-N 2.89Å; A189-F191 PolarHBondContact O-N 3.48Å; A189-E192 PolarHBondContact O-N 3.46Å; A189-V193 PolarHBondContact O-N 2.99Å |
| 190 | A | 96.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.8 | -47.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L152 I164 A168 Q186 E187 E192 V193 I194 | L152-A190 HydrophobicContact CD1-CB 4.08Å; I164-A190 HydrophobicContact CG1-CB 3.89Å; A168-A190 HydrophobicContact CB-CB 4.28Å; Q186-A190 HydrophobicContact CB-CB 4.02Å; E187-A190 PolarHBondContact O-N 3.05Å; A190-E192 PolarHBondContact O-N 3.34Å; A190-V193 PolarHBondContact O-N 3.42Å; A190-I194 VanDerWaalsContact O-CG1 3.3Å; A190-I194 WeakPolarHBondContact O-CG1 3.21Å; A190-I194 PolarHBondContact O-N 2.69Å |
| 191 | F | 98.3 | Very high | 96.9 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | -178.8 | -176.4 | -103 | 0 | 0 | 0 | 112.5 | T183 Q186 E187 K188 A189 V193 I194 S195 L205 V207 | T183-F191 HydrophobicContact CG2-CD2 4.43Å; T183-F191 HydrophobicContact CG2-CE2 4.32Å; Q186-F191 HydrophobicContact CB-CB 4.16Å; E187-F191 WeakPolarHBondContact O-CB 3.3Å; E187-F191 PolarHBondContact O-N 3.32Å; K188-F191 PolarHBondContact O-N 3.29Å; A189-F191 PolarHBondContact O-N 3.48Å; F191-V193 VanDerWaalsContact C-N 3.33Å; F191-V193 PolarHBondContact O-N 2.8Å; F191-I194 PolarHBondContact O-N 2.73Å; F191-S195 VanDerWaalsContact O-CB 3.26Å; F191-S195 WeakPolarHBondContact O-CB 3.3Å; F191-S195 PolarHBondContact O-N 3.45Å; F191-L205 HydrophobicContact CE2-CD2 4.28Å; F191-V207 HydrophobicContact CD2-CG2 4.39Å; F191-V207 HydrophobicContact CE2-CG2 3.5Å; F191-V207 VanDerWaalsContact CE2-CG2 3.5Å; F191-V207 HydrophobicContact CZ-CG2 4.04Å |
| 192 | E | 98.5 | Very high | 96.9 | Very high | 106 Ų | 106 | 53.7 Ų | 53.7 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 177.7 | -77.2 | 173 | -179.8 | 0 | 0 | 111.1 | K188 A189 A190 S195 Q196 | K188-E192 WeakPolarHBondContact CE-OE1 3.05Å; K188-E192 WeakPolarHBondContact CG-OE1 3.38Å; K188-E192 IonicContact NZ-OE1 2.81Å; K188-E192 WeakPolarHBondContact O-CG 3.49Å; K188-E192 PolarHBondContact O-N 2.61Å; A189-E192 PolarHBondContact O-N 3.46Å; A190-E192 PolarHBondContact O-N 3.34Å; E192-S195 PolarHBondContact O-N 2.97Å; E192-Q196 VanDerWaalsContact O-CB 3.3Å; E192-Q196 WeakPolarHBondContact O-CB 3.28Å; E192-Q196 PolarHBondContact O-N 3.02Å |
| 193 | V | 98.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 54 Ų | 54 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | E165 A168 W169 A189 A190 F191 S195 Q196 R197 | E165-V193 HydrophobicContact CB-CG2 3.84Å; E165-V193 HydrophobicContact CG-CG2 3.9Å; A168-V193 HydrophobicContact CB-CB 3.92Å; A168-V193 HydrophobicContact CB-CG1 3.93Å; W169-V193 VanDerWaalsContact CA-CG1 3.49Å; W169-V193 HydrophobicContact CB-CG1 3.74Å; W169-V193 VanDerWaalsContact N-CG1 3.33Å; A189-V193 PolarHBondContact O-N 2.99Å; A190-V193 PolarHBondContact O-N 3.42Å; F191-V193 VanDerWaalsContact C-N 3.33Å; F191-V193 PolarHBondContact O-N 2.8Å; V193-S195 VanDerWaalsContact C-N 3.31Å; V193-S195 PolarHBondContact O-N 2.92Å; V193-Q196 PolarHBondContact O-N 3.23Å; V193-R197 HydrophobicContact CG1-CG 4.4Å; V193-R197 WeakPolarHBondContact O-CB 3.17Å; V193-R197 VanDerWaalsContact O-CG 3.31Å; V193-R197 WeakPolarHBondContact O-CG 3.39Å; V193-R197 PolarHBondContact O-N 3.01Å |
| 194 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 176.6 | -63.6 | 162.1 | 0 | 0 | 0 | 110.4 | I149 L152 A172 L175 Q186 A190 F191 Q196 R197 A198 L205 | I149-I194 HydrophobicContact CD1-CD1 4.11Å; I149-I194 HydrophobicContact CD1-CG1 4.03Å; I149-I194 HydrophobicContact CD1-CG2 3.81Å; I149-I194 HydrophobicContact CG2-CD1 4.18Å; L152-I194 HydrophobicContact CD1-CD1 3.76Å; L152-I194 HydrophobicContact CD1-CG1 4.33Å; A172-I194 HydrophobicContact CB-CG1 4.25Å; L175-I194 HydrophobicContact CD2-CG2 4.46Å; Q186-I194 HydrophobicContact CG-CD1 3.82Å; A190-I194 VanDerWaalsContact O-CG1 3.3Å; A190-I194 WeakPolarHBondContact O-CG1 3.21Å; A190-I194 PolarHBondContact O-N 2.69Å; F191-I194 PolarHBondContact O-N 2.73Å; I194-Q196 VanDerWaalsContact C-N 3.33Å; I194-Q196 PolarHBondContact O-N 2.67Å; I194-R197 PolarHBondContact O-N 2.88Å; I194-A198 WeakPolarHBondContact O-CB 3.28Å; I194-A198 PolarHBondContact O-N 2.96Å; I194-L205 HydrophobicContact CG2-CD1 3.89Å; I194-L205 HydrophobicContact CG2-CD2 3.78Å |
| 195 | S | 98.1 | Very high | 96.6 | Very high | 30 Ų | 30 | 58 Ų | 58 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 179.1 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | F191 E192 V193 A198 K199 | F191-S195 VanDerWaalsContact O-CB 3.26Å; F191-S195 WeakPolarHBondContact O-CB 3.3Å; F191-S195 PolarHBondContact O-N 3.45Å; E192-S195 PolarHBondContact O-N 2.97Å; V193-S195 VanDerWaalsContact C-N 3.31Å; V193-S195 PolarHBondContact O-N 2.92Å; S195-A198 PolarHBondContact O-N 2.94Å; S195-K199 WeakPolarHBondContact O-CG 3.29Å; S195-K199 PolarHBondContact O-N 3.41Å; S195-K199 VanDerWaalsContact O-N 3.08Å |
| 196 | Q | 98.2 | Very high | 96.7 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 43% | 0.425 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 176.6 | -177.6 | 53.4 | 32.5 | 0 | 0 | 111.3 | E192 V193 I194 A198 K199 E200 | E192-Q196 VanDerWaalsContact O-CB 3.3Å; E192-Q196 WeakPolarHBondContact O-CB 3.28Å; E192-Q196 PolarHBondContact O-N 3.02Å; V193-Q196 PolarHBondContact O-N 3.23Å; I194-Q196 VanDerWaalsContact C-N 3.33Å; I194-Q196 PolarHBondContact O-N 2.67Å; Q196-A198 VanDerWaalsContact C-N 3.34Å; Q196-A198 PolarHBondContact O-N 2.73Å; Q196-K199 WeakPolarHBondContact O-CB 3.33Å; Q196-K199 PolarHBondContact O-N 3.11Å; Q196-K199 VanDerWaalsContact O-N 3.14Å; Q196-E200 WeakPolarHBondContact CG-OE1 3.23Å; Q196-E200 PolarHBondContact NE2-OE1 3.04Å; Q196-E200 WeakPolarHBondContact O-CG 3.4Å; Q196-E200 PolarHBondContact O-N 2.69Å |
| 197 | R | 97.2 | Very high | 96.8 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 14% | 0.143 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 174.8 | -70.2 | -72 | -86.3 | 164.9 | -6.3 | 112.1 | T134 A172 V193 I194 K199 E200 V201 | T134-R197 PolarHBondContact OG1-NH2 3.37Å; A172-R197 HydrophobicContact CB-CB 3.95Å; A172-R197 HydrophobicContact CB-CG 4.02Å; V193-R197 HydrophobicContact CG1-CG 4.4Å; V193-R197 WeakPolarHBondContact O-CB 3.17Å; V193-R197 VanDerWaalsContact O-CG 3.31Å; V193-R197 WeakPolarHBondContact O-CG 3.39Å; V193-R197 PolarHBondContact O-N 3.01Å; I194-R197 PolarHBondContact O-N 2.88Å; R197-K199 VanDerWaalsContact C-N 3.31Å; R197-K199 PolarHBondContact O-N 3.38Å; R197-E200 WeakPolarHBondContact CD-OE2 3.45Å; R197-E200 IonicContact NH1-OE2 3.09Å; R197-E200 PolarHBondContact O-N 3.43Å; R197-V201 VanDerWaalsContact O-CG2 3.3Å; R197-V201 WeakPolarHBondContact O-CG2 3.22Å; R197-V201 PolarHBondContact O-N 2.95Å; R197-V201 VanDerWaalsContact O-N 3.07Å |
| 198 | A | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L175 I194 S195 Q196 E202 C203 L205 | L175-A198 HydrophobicContact CD2-CB 3.75Å; I194-A198 WeakPolarHBondContact O-CB 3.28Å; I194-A198 PolarHBondContact O-N 2.96Å; S195-A198 PolarHBondContact O-N 2.94Å; Q196-A198 VanDerWaalsContact C-N 3.34Å; Q196-A198 PolarHBondContact O-N 2.73Å; A198-E202 PolarHBondContact O-N 2.88Å; A198-E202 VanDerWaalsContact O-N 3.13Å; A198-C203 PolarHBondContact O-N 3.05Å; A198-L205 HydrophobicContact CB-CB 3.79Å; A198-L205 HydrophobicContact CB-CD2 4.09Å; A198-L205 HydrophobicContact CB-CG 4.46Å |
| 199 | K | 97.1 | Very high | 96 | Very high | 141 Ų | 141 | 45.9 Ų | 45.9 | 61% | 0.613 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.2 | -46 | 174.7 | -69.5 | 169.6 | -172.2 | 171.7 | 0 | 112 | S195 Q196 R197 V201 E202 | S195-K199 WeakPolarHBondContact O-CG 3.29Å; S195-K199 PolarHBondContact O-N 3.41Å; S195-K199 VanDerWaalsContact O-N 3.08Å; Q196-K199 WeakPolarHBondContact O-CB 3.33Å; Q196-K199 PolarHBondContact O-N 3.11Å; Q196-K199 VanDerWaalsContact O-N 3.14Å; R197-K199 VanDerWaalsContact C-N 3.31Å; R197-K199 PolarHBondContact O-N 3.38Å; K199-V201 VanDerWaalsContact C-N 3.3Å; K199-V201 PolarHBondContact O-N 3.17Å; K199-E202 PolarHBondContact O-N 3.39Å; K199-E202 VanDerWaalsContact O-N 3.11Å |
| 200 | E | 97 | Very high | 95.5 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 46% | 0.463 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.2 | -40.5 | -179.8 | -73.9 | 166 | -168.9 | 0 | 0 | 112.6 | Q196 R197 | Q196-E200 WeakPolarHBondContact CG-OE1 3.23Å; Q196-E200 PolarHBondContact NE2-OE1 3.04Å; Q196-E200 WeakPolarHBondContact O-CG 3.4Å; Q196-E200 PolarHBondContact O-N 2.69Å; R197-E200 WeakPolarHBondContact CD-OE2 3.45Å; R197-E200 IonicContact NH1-OE2 3.09Å; R197-E200 PolarHBondContact O-N 3.43Å |
| 201 | V | 95.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 22% | 0.218 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 4 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 113.7 | L175 R177 R197 K199 C203 | L175-V201 HydrophobicContact CB-CG2 4.01Å; R177-V201 WeakPolarHBondContact CA-O 2.91Å; R177-V201 WeakPolarHBondContact CB-O 3.48Å; R197-V201 VanDerWaalsContact O-CG2 3.3Å; R197-V201 WeakPolarHBondContact O-CG2 3.22Å; R197-V201 PolarHBondContact O-N 2.95Å; R197-V201 VanDerWaalsContact O-N 3.07Å; K199-V201 VanDerWaalsContact C-N 3.3Å; K199-V201 PolarHBondContact O-N 3.17Å; V201-C203 VanDerWaalsContact C-N 3.29Å; V201-C203 HydrophobicContact CG2-CB 3.54Å; V201-C203 PolarHBondContact O-N 3.47Å |
| 202 | E | 95.9 | Very high | 94.1 | Very high | 130 Ų | 130 | 53.7 Ų | 53.7 | 61% | 0.607 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 43.2 | -175.2 | -57.2 | 161.8 | -127.2 | 0 | 0 | 112.9 | R177 A198 K199 | R177-E202 IonicContact CZ-OE1 3.5Å; R177-E202 IonicContact NE-OE1 3.35Å; R177-E202 PolarHBondContact NE-OE1 3.36Å; R177-E202 IonicContact NE-OE2 3.8Å; R177-E202 IonicContact NH2-OE1 2.79Å; R177-E202 PolarHBondContact NH2-OE1 3.24Å; A198-E202 PolarHBondContact O-N 2.88Å; A198-E202 VanDerWaalsContact O-N 3.13Å; K199-E202 PolarHBondContact O-N 3.39Å; K199-E202 VanDerWaalsContact O-N 3.11Å |
| 203 | C | 94.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | trans | -100.2 | 131.5 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | L175 S179 A198 V201 L205 | L175-C203 HydrophobicContact CB-CB 4.48Å; S179-C203 PolarHBondContact O-SG 3.38Å; S179-C203 PolarHBondContact OG-SG 3.34Å; A198-C203 PolarHBondContact O-N 3.05Å; V201-C203 VanDerWaalsContact C-N 3.29Å; V201-C203 HydrophobicContact CG2-CB 3.54Å; V201-C203 PolarHBondContact O-N 3.47Å; C203-L205 PolarHBondContact O-N 3.06Å | ||
| 204 | A | 95 | Very high | 92.3 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 125.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V180 A181 Y206 | V180-A204 HydrophobicContact CG2-CB 4.39Å; A181-A204 PolarHBondContact N-O 2.6Å; A204-Y206 HydrophobicContact CB-CE2 3.89Å |
| 205 | L | 97.3 | Very high | 90.8 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 23% | 0.225 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.8 | -178.4 | 178.9 | 67.8 | 0 | 0 | 0 | 111.3 | A181 T183 F191 I194 A198 C203 | A181-L205 HydrophobicContact CB-CD1 3.78Å; A181-L205 CarbonylContact O-C 3.57Å; A181-L205 WeakPolarHBondContact O-CA 3.4Å; T183-L205 HydrophobicContact CG2-CD1 4.13Å; F191-L205 HydrophobicContact CE2-CD2 4.28Å; I194-L205 HydrophobicContact CG2-CD1 3.89Å; I194-L205 HydrophobicContact CG2-CD2 3.78Å; A198-L205 HydrophobicContact CB-CB 3.79Å; A198-L205 HydrophobicContact CB-CD2 4.09Å; A198-L205 HydrophobicContact CB-CG 4.46Å; C203-L205 PolarHBondContact O-N 3.06Å |
| 206 | Y | 96.1 | Very high | 89.3 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 8% | 0.078 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 153.9 | 175.8 | -59.6 | -90.2 | 0 | 0 | 0 | 110.9 | V180 A181 I182 T183 A204 P264 M273 | V180-Y206 HydrophobicContact CG1-CD2 3.65Å; V180-Y206 HydrophobicContact CG1-CE2 3.64Å; A181-Y206 PolarHBondContact O-N 3.09Å; I182-Y206 WeakPolarHBondContact CA-O 3.34Å; T183-Y206 PolarHBondContact N-O 3.29Å; A204-Y206 HydrophobicContact CB-CE2 3.89Å; Y206-P264 HydrophobicContact CE1-CG 4.05Å; Y206-P264 WeakPolarHBondContact OH-CD 3.32Å; Y206-M273 HydrophobicContact CD1-CG 4.48Å; Y206-M273 HydrophobicContact CD1-SD 3.91Å; Y206-M273 HydrophobicContact CE1-SD 4.43Å |
| 207 | V | 95.7 | Very high | 87.5 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 34% | 0.339 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.4 | 170.2 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | T183 P185 F191 | T183-V207 HydrophobicContact CG2-CG2 4.03Å; T183-V207 CarbonylContact O-C 3.59Å; T183-V207 VanDerWaalsContact O-CA 3.29Å; T183-V207 WeakPolarHBondContact O-CA 3.4Å; P185-V207 HydrophobicContact CB-CG1 4.46Å; P185-V207 HydrophobicContact CG-CG1 4.02Å; F191-V207 HydrophobicContact CD2-CG2 4.39Å; F191-V207 HydrophobicContact CE2-CG2 3.5Å; F191-V207 VanDerWaalsContact CE2-CG2 3.5Å; F191-V207 HydrophobicContact CZ-CG2 4.04Å |
| 208 | C | 89.3 | Confident | 85.7 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 150.1 | 176.8 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | I182 T183 Q241 | I182-C208 HydrophobicContact CG2-CB 4.14Å; T183-C208 PolarHBondContact O-N 3.39Å; C208-Q241 HydrophobicContact CB-CG 3.95Å |
| 209 | Q | 84.6 | Confident | 84 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 166.9 | 177.2 | 61.5 | -176.4 | 82.6 | 0 | 0 | 111.7 | D213 Y214 S237 | Q209-D213 HydrophobicContact CB-CB 4.26Å; Q209-D213 HydrophobicContact CG-CB 4.42Å; Q209-D213 VanDerWaalsContact NE2-C 3.34Å; Q209-D213 PolarHBondContact NE2-O 3.24Å; Q209-D213 VanDerWaalsContact NE2-O 3.17Å; Q209-Y214 HydrophobicContact CG-CD2 4.5Å; Q209-Y214 HydrophobicContact CG-CE1 4Å; Q209-Y214 HydrophobicContact CG-CE2 3.74Å; Q209-Y214 VanDerWaalsContact CG-OH 3.24Å; Q209-Y214 WeakPolarHBondContact CG-OH 3.46Å; Q209-S237 PolarHBondContact O-OG 3.26Å |
| 210 | S | 86.4 | Confident | 82 | Confident | 52 Ų | 52 | 55 Ų | 55 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 151.8 | 172 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | E212 D213 | S210-E212 PolarHBondContact O-N 2.73Å; S210-D213 VanDerWaalsContact CB-OD2 3.26Å; S210-D213 WeakPolarHBondContact CB-OD2 3.07Å; S210-D213 PolarHBondContact N-OD2 3.17Å; S210-D213 VanDerWaalsContact N-OD2 3.08Å; S210-D213 WeakPolarHBondContact O-CB 3.48Å; S210-D213 PolarHBondContact O-N 3.27Å; S210-D213 VanDerWaalsContact O-N 3.14Å |
| 211 | W | 83.2 | Confident | 79.8 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -60.8 | -35.3 | 173.8 | -177.2 | -92.7 | 0 | 0 | 0 | 111.8 | D213 Y214 I216 L225 L233 A236 I284 I287 | W211-D213 PolarHBondContact O-N 3.07Å; W211-Y214 HydrophobicContact CD2-CD2 4.34Å; W211-Y214 HydrophobicContact CE3-CD2 4.1Å; W211-Y214 HydrophobicContact CE3-CE2 4.25Å; W211-Y214 VanDerWaalsContact O-CD2 3.28Å; W211-Y214 WeakPolarHBondContact O-CD2 3.43Å; W211-Y214 PolarHBondContact O-N 2.98Å; W211-Y214 VanDerWaalsContact O-N 3.11Å; W211-I216 HydrophobicContact CZ2-CD1 4.16Å; W211-L225 HydrophobicContact CH2-CD2 3.92Å; W211-L225 HydrophobicContact CZ2-CD2 3.86Å; W211-L233 HydrophobicContact CB-CB 3.69Å; W211-L233 HydrophobicContact CB-CD2 4.45Å; W211-L233 VanDerWaalsContact CD1-CD2 3.46Å; W211-L233 HydrophobicContact CD2-CB 4.42Å; W211-L233 HydrophobicContact CD2-CD2 4.02Å; W211-L233 HydrophobicContact CG-CB 3.84Å; W211-L233 HydrophobicContact CG-CD2 3.72Å; W211-L233 HydrophobicContact CG-CG 4.28Å; W211-A236 HydrophobicContact CE3-CB 3.96Å; W211-A236 HydrophobicContact CH2-CB 4.24Å; W211-A236 HydrophobicContact CZ3-CB 3.57Å; W211-I284 HydrophobicContact CH2-CG1 4.44Å; W211-I287 HydrophobicContact CH2-CD1 3.91Å; W211-I287 HydrophobicContact CH2-CG2 4.32Å; W211-I287 HydrophobicContact CZ3-CD1 4.05Å |
| 212 | E | 81.6 | Confident | 77.5 | Confident | 152 Ų | 152 | 63.8 Ų | 63.8 | 71% | 0.71 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -66.1 | -20.4 | 178.8 | -64 | 158.7 | -169.8 | 0 | 0 | 112.8 | S210 Y214 | S210-E212 PolarHBondContact O-N 2.73Å; E212-Y214 PolarHBondContact O-N 3.5Å |
| 213 | D | 82 | Confident | 75.7 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -80.2 | -6.6 | 177.4 | -60.5 | -40.2 | 0 | 0 | 0 | 112 | Q209 S210 W211 | Q209-D213 HydrophobicContact CB-CB 4.26Å; Q209-D213 HydrophobicContact CG-CB 4.42Å; Q209-D213 VanDerWaalsContact NE2-C 3.34Å; Q209-D213 PolarHBondContact NE2-O 3.24Å; Q209-D213 VanDerWaalsContact NE2-O 3.17Å; S210-D213 VanDerWaalsContact CB-OD2 3.26Å; S210-D213 WeakPolarHBondContact CB-OD2 3.07Å; S210-D213 PolarHBondContact N-OD2 3.17Å; S210-D213 VanDerWaalsContact N-OD2 3.08Å; S210-D213 WeakPolarHBondContact O-CB 3.48Å; S210-D213 PolarHBondContact O-N 3.27Å; S210-D213 VanDerWaalsContact O-N 3.14Å; W211-D213 PolarHBondContact O-N 3.07Å |
| 214 | Y | 77.2 | Confident | 74.4 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 4% | 0.043 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -80.5 | 130.8 | 174.5 | -66.5 | -82.2 | 0 | 0 | 0 | 110.7 | Q209 W211 E212 I216 S237 L240 Q241 L277 | Q209-Y214 HydrophobicContact CG-CD2 4.5Å; Q209-Y214 HydrophobicContact CG-CE1 4Å; Q209-Y214 HydrophobicContact CG-CE2 3.74Å; Q209-Y214 VanDerWaalsContact CG-OH 3.24Å; Q209-Y214 WeakPolarHBondContact CG-OH 3.46Å; W211-Y214 HydrophobicContact CD2-CD2 4.34Å; W211-Y214 HydrophobicContact CE3-CD2 4.1Å; W211-Y214 HydrophobicContact CE3-CE2 4.25Å; W211-Y214 VanDerWaalsContact O-CD2 3.28Å; W211-Y214 WeakPolarHBondContact O-CD2 3.43Å; W211-Y214 PolarHBondContact O-N 2.98Å; W211-Y214 VanDerWaalsContact O-N 3.11Å; E212-Y214 PolarHBondContact O-N 3.5Å; Y214-I216 PolarHBondContact O-N 2.95Å; Y214-S237 WeakPolarHBondContact CE2-OG 3.43Å; Y214-S237 PolarHBondContact OH-OG 3.27Å; Y214-L240 HydrophobicContact CD1-CD2 3.84Å; Y214-L240 HydrophobicContact CE1-CD2 3.49Å; Y214-L240 VanDerWaalsContact CE1-CD2 3.49Å; Y214-Q241 PolarHBondContact OH-NE2 3.31Å; Y214-L277 HydrophobicContact CD1-CD1 3.17Å; Y214-L277 HydrophobicContact CD1-CD2 3.81Å; Y214-L277 HydrophobicContact CD1-CG 4.04Å; Y214-L277 HydrophobicContact CE1-CD1 3.7Å; Y214-L277 HydrophobicContact CE1-CD2 3.93Å; Y214-L277 HydrophobicContact CE1-CG 4.47Å; Y214-L277 HydrophobicContact CG-CD1 4.01Å |
| 215 | V | 68.1 | Low | 73.8 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | trans | -73.4 | 100.5 | 167.6 | -177.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 216 | I | 65.3 | Low | 73.2 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 19% | 0.185 | 34% | 0.343 | C | S | . | . | trans | -87.9 | 126.1 | 173.8 | -57.2 | -179.7 | 0 | 0 | 0 | 107.4 | W211 Y214 A220 I284 | W211-I216 HydrophobicContact CZ2-CD1 4.16Å; Y214-I216 PolarHBondContact O-N 2.95Å; I216-A220 HydrophobicContact CG2-CB 3.55Å; I216-I284 HydrophobicContact CG1-CD1 4.04Å; I216-I284 HydrophobicContact CG2-CG2 4.23Å | ||
| 217 | P | 61.5 | Low | 72.8 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 20% | 0.195 | 34% | 0.339 | C | S | . | . | trans | -55.5 | 143.6 | 174.2 | -27.8 | 37.4 | 0 | 0 | 0 | 112 | D219 A220 E221 R281 | P217-D219 WeakPolarHBondContact CB-OD1 3.28Å; P217-D219 PolarHBondContact O-N 3.1Å; P217-A220 WeakPolarHBondContact O-CA 3.32Å; P217-A220 WeakPolarHBondContact O-CB 3.48Å; P217-A220 PolarHBondContact O-N 2.61Å; P217-E221 PolarHBondContact O-N 3.13Å; P217-R281 HydrophobicContact CB-CG 4.37Å; P217-R281 HydrophobicContact CG-CB 3.81Å; P217-R281 HydrophobicContact CG-CG 3.81Å | ||
| 218 | N | 58.6 | Low | 72.3 | Confident | 132 Ų | 132 | 61.2 Ų | 61.2 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -55 | -29.4 | -176.2 | -63.9 | 9.8 | 0 | 0 | 0 | 114.1 | A220 | N218-A220 PolarHBondContact O-N 3.43Š|
| 219 | D | 62.2 | Low | 72.1 | Confident | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -74.2 | -11.7 | 175.4 | 66.4 | -56.3 | 0 | 0 | 0 | 113.7 | P217 R281 | P217-D219 WeakPolarHBondContact CB-OD1 3.28Å; P217-D219 PolarHBondContact O-N 3.1Å; D219-R281 IonicContact OD1-CZ 3.48Å; D219-R281 IonicContact OD1-NE 2.97Å; D219-R281 PolarHBondContact OD1-NE 3.28Å; D219-R281 IonicContact OD1-NH2 2.95Å; D219-R281 PolarHBondContact OD1-NH2 3.06Å; D219-R281 IonicContact OD2-CZ 3.4Å; D219-R281 IonicContact OD2-NE 3.45Å; D219-R281 PolarHBondContact OD2-NE 2.71Å; D219-R281 IonicContact OD2-NH2 3.38Å; D219-R281 PolarHBondContact OD2-NH2 3.01Å |
| 220 | A | 54.3 | Low | 72.1 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -107.7 | -5.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I216 P217 N218 Q222 L223 I284 F288 | I216-A220 HydrophobicContact CG2-CB 3.55Å; P217-A220 WeakPolarHBondContact O-CA 3.32Å; P217-A220 WeakPolarHBondContact O-CB 3.48Å; P217-A220 PolarHBondContact O-N 2.61Å; N218-A220 PolarHBondContact O-N 3.43Å; A220-Q222 PolarHBondContact O-N 2.96Å; A220-L223 HydrophobicContact CB-CD1 3.72Å; A220-L223 HydrophobicContact CB-CG 4.48Å; A220-L223 WeakPolarHBondContact O-CB 3.4Å; A220-L223 PolarHBondContact O-N 2.96Å; A220-I284 HydrophobicContact CB-CG2 4.11Å; A220-F288 HydrophobicContact CB-CE2 4.46Å |
| 221 | E | 50.3 | Low | 71.9 | Confident | 138 Ų | 138 | 67.2 Ų | 67.2 | 65% | 0.645 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.3 | 177.8 | -77.2 | -176.7 | 168.5 | 0 | 0 | 113 | P217 L223 | P217-E221 PolarHBondContact O-N 3.13Å; E221-L223 VanDerWaalsContact C-N 3.34Å |
| 222 | Q | 49.3 | Very low | 72.2 | Confident | 182 Ų | 182 | 66.2 Ų | 66.2 | 85% | 0.85 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.6 | 177.7 | -64.4 | -173.4 | -3.8 | 0 | 0 | 114 | A220 | A220-Q222 PolarHBondContact O-N 2.96Š|
| 223 | L | 57.5 | Low | 72.6 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | trans | -87.4 | 124.1 | -171.5 | -64.5 | 172.7 | 0 | 0 | 0 | 111 | A220 E221 L285 F288 | A220-L223 HydrophobicContact CB-CD1 3.72Å; A220-L223 HydrophobicContact CB-CG 4.48Å; A220-L223 WeakPolarHBondContact O-CB 3.4Å; A220-L223 PolarHBondContact O-N 2.96Å; E221-L223 VanDerWaalsContact C-N 3.34Å; L223-L285 HydrophobicContact CD1-CD2 3.24Å; L223-F288 VanDerWaalsContact C-CE1 3.43Å; L223-F288 HydrophobicContact CB-CD1 3.81Å; L223-F288 HydrophobicContact CB-CD2 3.27Å; L223-F288 HydrophobicContact CB-CE1 3.69Å; L223-F288 HydrophobicContact CB-CE2 3.11Å; L223-F288 HydrophobicContact CB-CG 3.64Å; L223-F288 HydrophobicContact CB-CZ 3.35Å; L223-F288 HydrophobicContact CD1-CD2 3.4Å; L223-F288 HydrophobicContact CD1-CE2 3.47Å; L223-F288 VanDerWaalsContact CD1-CE2 3.47Å; L223-F288 HydrophobicContact CD1-CG 4.37Å; L223-F288 HydrophobicContact CD1-CZ 4.5Å; L223-F288 HydrophobicContact CG-CD2 3.9Å; L223-F288 HydrophobicContact CG-CE2 3.91Å; L223-F288 WeakPolarHBondContact O-CE1 3.27Å; L223-F288 VanDerWaalsContact O-CZ 3.31Å; L223-F288 WeakPolarHBondContact O-CZ 3.06Å | ||
| 224 | V | 67.8 | Low | 73.1 | Confident | 108 Ų | 108 | 59 Ų | 59 | 66% | 0.655 | 32% | 0.318 | S | S | * | . | trans | -86.9 | 131.7 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | G226 F288 | V224-G226 PolarHBondContact O-N 3.4Å; V224-F288 WeakPolarHBondContact O-CD1 3.01Å | ||
| 225 | L | 81.7 | Confident | 73.9 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | trans | -43.3 | 139 | 171.5 | -63.2 | -177 | 0 | 0 | 0 | 110.7 | F55 W211 I227 Q232 L233 A236 I287 F288 | F55-L225 HydrophobicContact CZ-CD1 4.46Å; W211-L225 HydrophobicContact CH2-CD2 3.92Å; W211-L225 HydrophobicContact CZ2-CD2 3.86Å; L225-I227 VanDerWaalsContact CB-O 3.23Å; L225-I227 WeakPolarHBondContact CB-O 3.49Å; L225-I227 CarbonylContact O-C 3.59Å; L225-I227 PolarHBondContact O-N 2.92Å; L225-I227 VanDerWaalsContact O-N 3.12Å; L225-Q232 VanDerWaalsContact CD1-C 3.49Å; L225-Q232 HydrophobicContact CD1-CB 3.73Å; L225-L233 HydrophobicContact CD1-CD2 3.56Å; L225-L233 HydrophobicContact CD1-CG 4.07Å; L225-L233 HydrophobicContact CD2-CD2 4.42Å; L225-L233 HydrophobicContact CG-CD2 3.97Å; L225-A236 HydrophobicContact CD1-CB 4.18Å; L225-A236 HydrophobicContact CD2-CB 4.07Å; L225-I287 HydrophobicContact CD2-CG2 3.34Å; L225-F288 HydrophobicContact CD2-CD1 4.3Å; L225-F288 HydrophobicContact CD2-CE1 3.96Å | ||
| 226 | G | 83.5 | Confident | 75 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -63.3 | -22.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V224 I287 F288 C290 | V224-G226 PolarHBondContact O-N 3.4Å; G226-I287 PolarHBondContact N-O 3.22Å; G226-I287 VanDerWaalsContact N-O 3.11Å; G226-F288 VanDerWaalsContact CA-O 3.25Å; G226-F288 WeakPolarHBondContact CA-O 3.32Å; G226-C290 CarbonylContact C-O 3.49Å; G226-C290 WeakPolarHBondContact CA-O 3.22Å; G226-C290 VanDerWaalsContact O-O 3.11Å |
| 227 | I | 88.3 | Confident | 76.2 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -107.9 | 112.2 | 163.3 | -46.3 | 174.1 | 0 | 0 | 0 | 107.5 | A54 F55 L225 Q232 W292 R295 | A54-I227 HydrophobicContact CB-CD1 4.39Å; F55-I227 HydrophobicContact CD2-CD1 4.48Å; F55-I227 HydrophobicContact CE1-CB 4.33Å; F55-I227 HydrophobicContact CE1-CD1 4.12Å; F55-I227 HydrophobicContact CE1-CG1 4.03Å; F55-I227 HydrophobicContact CE2-CB 4.46Å; F55-I227 HydrophobicContact CE2-CD1 4Å; F55-I227 HydrophobicContact CZ-CB 3.74Å; F55-I227 HydrophobicContact CZ-CD1 3.81Å; F55-I227 HydrophobicContact CZ-CG1 3.84Å; L225-I227 VanDerWaalsContact CB-O 3.23Å; L225-I227 WeakPolarHBondContact CB-O 3.49Å; L225-I227 CarbonylContact O-C 3.59Å; L225-I227 PolarHBondContact O-N 2.92Å; L225-I227 VanDerWaalsContact O-N 3.12Å; I227-Q232 HydrophobicContact CB-CG 4.23Å; I227-Q232 HydrophobicContact CG2-CG 3.85Å; I227-Q232 WeakPolarHBondContact O-CB 3.39Å; I227-Q232 WeakPolarHBondContact O-CG 3.35Å; I227-W292 HydrophobicContact CD1-CB 3.6Å; I227-W292 HydrophobicContact CG1-CB 4.19Å; I227-R295 HydrophobicContact CG2-CB 3.72Å |
| 228 | A | 86.5 | Confident | 77.8 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | trans | -74.8 | 160.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q232 S296 W327 | A228-Q232 VanDerWaalsContact O-CG 3.29Å; A228-Q232 WeakPolarHBondContact O-CG 3.47Å; A228-S296 WeakPolarHBondContact O-CB 3.42Å; A228-S296 PolarHBondContact O-OG 3.17Å; A228-W327 VanDerWaalsContact CB-CD1 3.43Å | ||
| 229 | G | 84.1 | Confident | 79.6 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 22% | 0.216 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 111.3 | 141.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H231 Q232 | G229-H231 VanDerWaalsContact C-N 3.29Å; G229-H231 PolarHBondContact O-N 2.82Å; G229-Q232 VanDerWaalsContact O-CB 3.27Å; G229-Q232 WeakPolarHBondContact O-CB 3.31Å; G229-Q232 PolarHBondContact O-N 3.13Å |
| 230 | K | 83.9 | Confident | 81 | Confident | 128 Ų | 128 | 41.4 Ų | 41.4 | 56% | 0.557 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -56 | -40.2 | -174.9 | -173.3 | 175.4 | -177.6 | 172.6 | 0 | 113.5 | Q232 L233 | K230-Q232 PolarHBondContact O-N 3.24Å; K230-L233 HydrophobicContact CG-CD1 4.2Å; K230-L233 VanDerWaalsContact O-CB 3.24Å; K230-L233 WeakPolarHBondContact O-CB 3.36Å; K230-L233 VanDerWaalsContact O-CG 3.32Å; K230-L233 WeakPolarHBondContact O-CG 3.4Å; K230-L233 PolarHBondContact O-N 3.35Å; K230-L233 VanDerWaalsContact O-N 3.09Å |
| 231 | H | 83.5 | Confident | 82.7 | Confident | 55 Ų | 55 | 41.8 Ų | 41.8 | 26% | 0.255 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.2 | -23.6 | 175.6 | 66.3 | -71.9 | 0 | 0 | 0 | 114.2 | G229 L233 E234 C323 | G229-H231 VanDerWaalsContact C-N 3.29Å; G229-H231 PolarHBondContact O-N 2.82Å; H231-L233 PolarHBondContact O-N 2.83Å; H231-E234 PolarHBondContact O-N 2.96Å; H231-C323 HydrophobicContact CB-CB 4.33Å; H231-C323 VanDerWaalsContact CB-SG 3.56Å; H231-C323 VanDerWaalsContact ND1-CB 3.34Å; H231-C323 WeakPolarHBondContact ND1-CB 3.45Å |
| 232 | Q | 90 | Very high | 84.9 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72 | -20.6 | 177.1 | -60.9 | -64.2 | -6.2 | 0 | 0 | 112.3 | S51 F55 L225 I227 A228 G229 K230 E234 N235 A236 | S51-Q232 PolarHBondContact OG-NE2 2.75Å; S51-Q232 PolarHBondContact OG-OE1 3.39Å; F55-Q232 HydrophobicContact CE2-CB 4.33Å; F55-Q232 HydrophobicContact CZ-CB 4.36Å; L225-Q232 VanDerWaalsContact CD1-C 3.49Å; L225-Q232 HydrophobicContact CD1-CB 3.73Å; I227-Q232 HydrophobicContact CB-CG 4.23Å; I227-Q232 HydrophobicContact CG2-CG 3.85Å; I227-Q232 WeakPolarHBondContact O-CB 3.39Å; I227-Q232 WeakPolarHBondContact O-CG 3.35Å; A228-Q232 VanDerWaalsContact O-CG 3.29Å; A228-Q232 WeakPolarHBondContact O-CG 3.47Å; G229-Q232 VanDerWaalsContact O-CB 3.27Å; G229-Q232 WeakPolarHBondContact O-CB 3.31Å; G229-Q232 PolarHBondContact O-N 3.13Å; K230-Q232 PolarHBondContact O-N 3.24Å; Q232-E234 VanDerWaalsContact C-N 3.29Å; Q232-E234 PolarHBondContact O-N 2.79Å; Q232-N235 PolarHBondContact O-N 3.2Å; Q232-N235 PolarHBondContact OE1-ND2 3.35Å; Q232-A236 VanDerWaalsContact O-CB 3.23Å; Q232-A236 WeakPolarHBondContact O-CB 3.01Å; Q232-A236 PolarHBondContact O-N 3.45Å |
| 233 | L | 89.6 | Confident | 87 | Confident | 47 Ų | 47 | 26.6 Ų | 26.6 | 25% | 0.246 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 174 | -60.5 | 169.1 | 0 | 0 | 0 | 111.5 | W211 L225 K230 H231 S237 | W211-L233 HydrophobicContact CB-CB 3.69Å; W211-L233 HydrophobicContact CB-CD2 4.45Å; W211-L233 VanDerWaalsContact CD1-CD2 3.46Å; W211-L233 HydrophobicContact CD2-CB 4.42Å; W211-L233 HydrophobicContact CD2-CD2 4.02Å; W211-L233 HydrophobicContact CG-CB 3.84Å; W211-L233 HydrophobicContact CG-CD2 3.72Å; W211-L233 HydrophobicContact CG-CG 4.28Å; L225-L233 HydrophobicContact CD1-CD2 3.56Å; L225-L233 HydrophobicContact CD1-CG 4.07Å; L225-L233 HydrophobicContact CD2-CD2 4.42Å; L225-L233 HydrophobicContact CG-CD2 3.97Å; K230-L233 HydrophobicContact CG-CD1 4.2Å; K230-L233 VanDerWaalsContact O-CB 3.24Å; K230-L233 WeakPolarHBondContact O-CB 3.36Å; K230-L233 VanDerWaalsContact O-CG 3.32Å; K230-L233 WeakPolarHBondContact O-CG 3.4Å; K230-L233 PolarHBondContact O-N 3.35Å; K230-L233 VanDerWaalsContact O-N 3.09Å; H231-L233 PolarHBondContact O-N 2.83Å; L233-S237 WeakPolarHBondContact O-CB 3.42Å; L233-S237 PolarHBondContact O-N 3.33Å |
| 234 | E | 91.4 | Very high | 88.5 | Confident | 37 Ų | 37 | 24.2 Ų | 24.2 | 17% | 0.173 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 175.3 | -173.1 | -179.2 | 74.2 | 0 | 0 | 111.5 | R151 V184 H231 Q232 A236 S237 L238 | R151-E234 IonicContact CZ-OE1 3.58Å; R151-E234 IonicContact CZ-OE2 3.78Å; R151-E234 IonicContact NE-OE1 2.69Å; R151-E234 PolarHBondContact NE-OE1 2.87Å; R151-E234 IonicContact NE-OE2 3.2Å; R151-E234 PolarHBondContact NE-OE2 3.47Å; R151-E234 IonicContact NH2-OE1 3.46Å; R151-E234 PolarHBondContact NH2-OE1 3.16Å; R151-E234 IonicContact NH2-OE2 3.94Å; R151-E234 PolarHBondContact NH2-OE2 3.24Å; V184-E234 HydrophobicContact CB-CG 3.69Å; V184-E234 HydrophobicContact CG1-CG 3.47Å; V184-E234 VanDerWaalsContact CG1-CG 3.47Å; H231-E234 PolarHBondContact O-N 2.96Å; Q232-E234 VanDerWaalsContact C-N 3.29Å; Q232-E234 PolarHBondContact O-N 2.79Å; E234-A236 VanDerWaalsContact C-N 3.33Å; E234-A236 PolarHBondContact O-N 3.02Å; E234-S237 PolarHBondContact O-N 2.95Å; E234-L238 PolarHBondContact O-N 2.95Å |
| 235 | N | 94.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 19.7 Ų | 19.7 | 3% | 0.027 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64 | -39 | 176.3 | -63.6 | -33.9 | 0 | 0 | 0 | 112 | G48 C52 F55 Q232 A239 | G48-N235 WeakPolarHBondContact CA-ND2 3.33Å; C52-N235 HydrophobicContact CB-CB 4.4Å; F55-N235 HydrophobicContact CD2-CB 4.33Å; F55-N235 HydrophobicContact CE2-CB 4.23Å; Q232-N235 PolarHBondContact O-N 3.2Å; Q232-N235 PolarHBondContact OE1-ND2 3.35Å; N235-A239 VanDerWaalsContact O-CB 3.26Å; N235-A239 WeakPolarHBondContact O-CB 3.21Å; N235-A239 PolarHBondContact O-N 3.29Å |
| 236 | A | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.4 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F55 W211 L225 Q232 E234 A239 L240 I287 | F55-A236 HydrophobicContact CD2-CB 4.16Å; F55-A236 HydrophobicContact CE2-CB 4.03Å; F55-A236 HydrophobicContact CZ-CB 4.29Å; W211-A236 HydrophobicContact CE3-CB 3.96Å; W211-A236 HydrophobicContact CH2-CB 4.24Å; W211-A236 HydrophobicContact CZ3-CB 3.57Å; L225-A236 HydrophobicContact CD1-CB 4.18Å; L225-A236 HydrophobicContact CD2-CB 4.07Å; Q232-A236 VanDerWaalsContact O-CB 3.23Å; Q232-A236 WeakPolarHBondContact O-CB 3.01Å; Q232-A236 PolarHBondContact O-N 3.45Å; E234-A236 VanDerWaalsContact C-N 3.33Å; E234-A236 PolarHBondContact O-N 3.02Å; A236-A239 PolarHBondContact O-N 3.37Å; A236-L240 WeakPolarHBondContact O-CB 3.28Å; A236-L240 PolarHBondContact O-N 3.38Å; A236-I287 HydrophobicContact CB-CG2 3.93Å |
| 237 | S | 91.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.4 | -51.7 | 172.4 | 174 | 0 | 0 | 0 | 0 | 111 | Q209 Y214 L233 E234 A239 L240 Q241 | Q209-S237 PolarHBondContact O-OG 3.26Å; Y214-S237 WeakPolarHBondContact CE2-OG 3.43Å; Y214-S237 PolarHBondContact OH-OG 3.27Å; L233-S237 WeakPolarHBondContact O-CB 3.42Å; L233-S237 PolarHBondContact O-N 3.33Å; E234-S237 PolarHBondContact O-N 2.95Å; S237-A239 PolarHBondContact O-N 3.42Å; S237-L240 PolarHBondContact O-N 3.3Å; S237-Q241 WeakPolarHBondContact O-CG 3.26Å; S237-Q241 PolarHBondContact O-N 3.05Å; S237-Q241 VanDerWaalsContact O-N 3.11Å |
| 238 | L | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 176.7 | 176.9 | 60.6 | 0 | 0 | 0 | 111.4 | T150 I182 V184 E234 L240 Q241 L242 | T150-L238 HydrophobicContact CG2-CD2 3.83Å; I182-L238 HydrophobicContact CB-CD1 3.84Å; I182-L238 HydrophobicContact CG2-CD1 3.61Å; I182-L238 WeakPolarHBondContact O-CD1 3.41Å; V184-L238 HydrophobicContact CG1-CB 3.91Å; V184-L238 HydrophobicContact CG1-CD2 3.87Å; V184-L238 HydrophobicContact CG1-CG 4.4Å; E234-L238 PolarHBondContact O-N 2.95Å; L238-L240 VanDerWaalsContact C-N 3.33Å; L238-L240 PolarHBondContact O-N 2.92Å; L238-Q241 PolarHBondContact O-N 3.41Å; L238-L242 HydrophobicContact CD1-CD1 4.13Å; L238-L242 HydrophobicContact CD1-CD2 4.36Å; L238-L242 HydrophobicContact CD1-CG 3.98Å; L238-L242 HydrophobicContact CD2-CD1 4.46Å; L238-L242 HydrophobicContact CG-CD1 3.88Å; L238-L242 HydrophobicContact CG-CG 4.2Å; L238-L242 VanDerWaalsContact O-CG 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 2.94Å |
| 239 | A | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F55 V56 N235 A236 S237 Q241 L242 A243 | F55-A239 HydrophobicContact CB-CB 3.33Å; F55-A239 HydrophobicContact CG-CB 4.35Å; V56-A239 HydrophobicContact CG2-CB 3.7Å; N235-A239 VanDerWaalsContact O-CB 3.26Å; N235-A239 WeakPolarHBondContact O-CB 3.21Å; N235-A239 PolarHBondContact O-N 3.29Å; A236-A239 PolarHBondContact O-N 3.37Å; S237-A239 PolarHBondContact O-N 3.42Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; A239-Q241 PolarHBondContact O-N 3.04Å; A239-L242 PolarHBondContact O-N 2.77Å; A239-A243 WeakPolarHBondContact O-CB 3.2Å; A239-A243 PolarHBondContact O-N 3.43Å |
| 240 | L | 91.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.7 | 179.7 | 62.6 | 0 | 0 | 0 | 111.3 | Y214 A236 S237 L238 R244 V280 F283 I287 | Y214-L240 HydrophobicContact CD1-CD2 3.84Å; Y214-L240 HydrophobicContact CE1-CD2 3.49Å; Y214-L240 VanDerWaalsContact CE1-CD2 3.49Å; A236-L240 WeakPolarHBondContact O-CB 3.28Å; A236-L240 PolarHBondContact O-N 3.38Å; S237-L240 PolarHBondContact O-N 3.3Å; L238-L240 VanDerWaalsContact C-N 3.33Å; L238-L240 PolarHBondContact O-N 2.92Å; L240-R244 WeakPolarHBondContact O-CB 3.07Å; L240-R244 PolarHBondContact O-N 3.18Å; L240-R244 VanDerWaalsContact O-N 3.08Å; L240-V280 HydrophobicContact CD1-CG1 4.06Å; L240-V280 HydrophobicContact CD2-CG1 3.72Å; L240-F283 HydrophobicContact CD1-CB 3.66Å; L240-F283 HydrophobicContact CD1-CD1 4.08Å; L240-F283 HydrophobicContact CD1-CG 3.97Å; L240-I287 HydrophobicContact CB-CD1 4.38Å |
| 241 | Q | 91.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 177.7 | -63.9 | -54.9 | -53.6 | 0 | 0 | 112.4 | I182 C208 Y214 S237 L238 A239 M245 M273 | I182-Q241 HydrophobicContact CD1-CB 3.8Å; I182-Q241 HydrophobicContact CG2-CB 4.11Å; C208-Q241 HydrophobicContact CB-CG 3.95Å; Y214-Q241 PolarHBondContact OH-NE2 3.31Å; S237-Q241 WeakPolarHBondContact O-CG 3.26Å; S237-Q241 PolarHBondContact O-N 3.05Å; S237-Q241 VanDerWaalsContact O-N 3.11Å; L238-Q241 PolarHBondContact O-N 3.41Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; A239-Q241 PolarHBondContact O-N 3.04Å; Q241-M245 VanDerWaalsContact O-CB 3.24Å; Q241-M245 WeakPolarHBondContact O-CB 3.43Å; Q241-M245 PolarHBondContact O-N 3.44Å; Q241-M273 VanDerWaalsContact OE1-CE 3.25Å |
| 242 | L | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.9 | -50.8 | 176.8 | -69.9 | 174.4 | 0 | 0 | 0 | 111.8 | V41 V43 V56 V146 C147 I182 L238 A239 R244 M245 W246 | V41-L242 HydrophobicContact CG1-CB 4.33Å; V41-L242 HydrophobicContact CG1-CD1 4.33Å; V43-L242 HydrophobicContact CG2-CD1 4Å; V56-L242 HydrophobicContact CG2-CB 3.95Å; V56-L242 HydrophobicContact CG2-CD1 4.15Å; V146-L242 HydrophobicContact CB-CD2 4.45Å; V146-L242 HydrophobicContact CG1-CD2 4.11Å; V146-L242 HydrophobicContact CG2-CD2 3.57Å; C147-L242 WeakPolarHBondContact O-CD2 3.45Å; I182-L242 HydrophobicContact CB-CD2 4.09Å; I182-L242 HydrophobicContact CD1-CD2 4.24Å; I182-L242 HydrophobicContact CG1-CD2 4.25Å; L238-L242 HydrophobicContact CD1-CD1 4.13Å; L238-L242 HydrophobicContact CD1-CD2 4.36Å; L238-L242 HydrophobicContact CD1-CG 3.98Å; L238-L242 HydrophobicContact CD2-CD1 4.46Å; L238-L242 HydrophobicContact CG-CD1 3.88Å; L238-L242 HydrophobicContact CG-CG 4.2Å; L238-L242 VanDerWaalsContact O-CG 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 2.94Å; A239-L242 PolarHBondContact O-N 2.77Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 2.86Å; L242-M245 PolarHBondContact O-N 3.28Å; L242-W246 VanDerWaalsContact O-CB 3.25Å; L242-W246 WeakPolarHBondContact O-CB 3.47Å; L242-W246 PolarHBondContact O-N 3.46Å |
| 243 | A | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V56 I59 L60 A239 A247 | V56-A243 HydrophobicContact CG1-CB 4.46Å; I59-A243 HydrophobicContact CB-CB 4.15Å; I59-A243 HydrophobicContact CD1-CB 4.35Å; I59-A243 HydrophobicContact CG2-CB 3.49Å; I59-A243 VanDerWaalsContact CG2-CB 3.49Å; L60-A243 HydrophobicContact CD2-CB 3.88Å; L60-A243 HydrophobicContact CG-CB 4.06Å; A239-A243 WeakPolarHBondContact O-CB 3.2Å; A239-A243 PolarHBondContact O-N 3.43Å; A243-A247 PolarHBondContact O-N 3.44Å |
| 244 | R | 89.5 | Confident | 89.3 | Confident | 21 Ų | 21 | 27 Ų | 27 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.4 | -48.9 | 176.8 | 177.3 | 175.1 | 173.5 | 169.1 | -0.2 | 113 | L240 L242 W246 A247 F248 I256 A259 | L240-R244 WeakPolarHBondContact O-CB 3.07Å; L240-R244 PolarHBondContact O-N 3.18Å; L240-R244 VanDerWaalsContact O-N 3.08Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 2.86Å; R244-W246 VanDerWaalsContact C-N 3.3Å; R244-W246 PolarHBondContact O-N 3.15Å; R244-A247 PolarHBondContact O-N 3.26Å; R244-F248 WeakPolarHBondContact O-CB 3.33Å; R244-F248 PolarHBondContact O-N 2.86Å; R244-I256 HydrophobicContact CB-CG2 4.04Å; R244-I256 HydrophobicContact CG-CG2 4.04Å; R244-A259 PolarHBondContact NH2-O 3.32Å |
| 245 | M | 92.2 | Very high | 87.4 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 178 | -177.5 | 58.1 | 63 | 0 | 0 | 110.9 | V146 V180 I182 Q241 L242 F248 R249 I261 | V146-M245 HydrophobicContact CB-CG 4.17Å; V146-M245 HydrophobicContact CG2-CB 4.03Å; V146-M245 HydrophobicContact CG2-CG 3.75Å; V180-M245 HydrophobicContact CB-CG 4.06Å; V180-M245 HydrophobicContact CB-SD 4.29Å; V180-M245 HydrophobicContact CG1-CE 4.13Å; V180-M245 HydrophobicContact CG1-CG 3.81Å; V180-M245 HydrophobicContact CG1-SD 4.02Å; V180-M245 HydrophobicContact CG2-SD 4.17Å; I182-M245 HydrophobicContact CD1-CB 3.93Å; I182-M245 HydrophobicContact CD1-CG 4.35Å; Q241-M245 VanDerWaalsContact O-CB 3.24Å; Q241-M245 WeakPolarHBondContact O-CB 3.43Å; Q241-M245 PolarHBondContact O-N 3.44Å; L242-M245 PolarHBondContact O-N 3.28Å; M245-F248 PolarHBondContact O-N 3.34Å; M245-F248 HydrophobicContact SD-CD1 4.39Å; M245-R249 HydrophobicContact CG-CG 4.42Å; M245-R249 WeakPolarHBondContact O-CB 3.39Å; M245-R249 VanDerWaalsContact O-CG 3.26Å; M245-R249 WeakPolarHBondContact O-CG 3.38Å; M245-R249 PolarHBondContact O-N 2.91Å; M245-R249 HydrophobicContact SD-CG 3.95Å; M245-I261 HydrophobicContact CE-CD1 4.13Å; M245-I261 HydrophobicContact CE-CG2 4.32Å |
| 246 | W | 95.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.8 | -55.7 | 174.7 | 179 | 89.2 | 0 | 0 | 0 | 111 | N39 V41 L60 F65 D123 V124 V145 V146 L242 R244 F248 R249 T250 | N39-W246 HydrophobicContact CB-CZ2 4.04Å; N39-W246 PolarHBondContact O-NE1 2.74Å; V41-W246 HydrophobicContact CG2-CB 4.01Å; V41-W246 VanDerWaalsContact CG2-CD1 3.42Å; V41-W246 HydrophobicContact CG2-CG 3.81Å; L60-W246 HydrophobicContact CD1-CD2 4.08Å; L60-W246 HydrophobicContact CD1-CE3 3.86Å; L60-W246 HydrophobicContact CD1-CG 4.47Å; L60-W246 HydrophobicContact CD1-CZ3 4.35Å; L60-W246 HydrophobicContact CD2-CE3 3.61Å; L60-W246 HydrophobicContact CD2-CZ3 3.95Å; L60-W246 HydrophobicContact CG-CE3 4.4Å; F65-W246 AromaticContact CD1-CH2 3.98Å; F65-W246 HydrophobicContact CD1-CH2 3.98Å; F65-W246 HydrophobicContact CD1-CZ3 4.15Å; F65-W246 HydrophobicContact CD2-CH2 4.48Å; F65-W246 AromaticContact CD2-CZ3 3.93Å; F65-W246 HydrophobicContact CD2-CZ3 3.93Å; F65-W246 HydrophobicContact CE1-CH2 4.2Å; F65-W246 HydrophobicContact CE1-CZ3 4.16Å; F65-W246 AromaticContact CE2-CZ3 3.94Å; F65-W246 HydrophobicContact CE2-CZ3 3.94Å; F65-W246 HydrophobicContact CG-CH2 4.16Å; F65-W246 HydrophobicContact CG-CZ3 4.07Å; F65-W246 HydrophobicContact CZ-CZ3 4.09Å; D123-W246 WeakPolarHBondContact O-CZ2 3.26Å; V124-W246 HydrophobicContact CB-CH2 3.94Å; V124-W246 HydrophobicContact CB-CZ2 3.43Å; V124-W246 VanDerWaalsContact CB-CZ2 3.43Å; V124-W246 HydrophobicContact CG1-CH2 4.45Å; V124-W246 HydrophobicContact CG1-CZ2 4.4Å; V124-W246 HydrophobicContact CG2-CD2 4.1Å; V124-W246 HydrophobicContact CG2-CG 4.45Å; V124-W246 HydrophobicContact CG2-CZ2 3.84Å; V145-W246 HydrophobicContact CG1-CB 4.5Å; V145-W246 HydrophobicContact CG1-CG 4.29Å; V146-W246 HydrophobicContact CG1-CB 3.97Å; L242-W246 VanDerWaalsContact O-CB 3.25Å; L242-W246 WeakPolarHBondContact O-CB 3.47Å; L242-W246 PolarHBondContact O-N 3.46Å; R244-W246 VanDerWaalsContact C-N 3.3Å; R244-W246 PolarHBondContact O-N 3.15Å; W246-F248 PolarHBondContact O-N 2.84Å; W246-R249 PolarHBondContact O-N 3.48Å; W246-R249 VanDerWaalsContact O-N 3.1Å; W246-T250 HydrophobicContact CD2-CG2 4.19Å; W246-T250 HydrophobicContact CZ2-CG2 3.83Å; W246-T250 WeakPolarHBondContact O-CG2 3.08Å; W246-T250 PolarHBondContact O-N 3.01Å; W246-T250 PolarHBondContact O-OG1 3.49Å |
| 247 | A | 92.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A243 R244 R249 T250 G251 N252 G253 I256 | A243-A247 PolarHBondContact O-N 3.44Å; R244-A247 PolarHBondContact O-N 3.26Å; A247-R249 VanDerWaalsContact C-N 3.3Å; A247-R249 PolarHBondContact O-N 2.93Å; A247-T250 PolarHBondContact O-N 3.08Å; A247-T250 PolarHBondContact O-OG1 3.34Å; A247-G251 PolarHBondContact O-N 3.37Å; A247-N252 HydrophobicContact CB-CB 3.97Å; A247-N252 CarbonylContact O-C 3.59Å; A247-N252 WeakPolarHBondContact O-CA 3.18Å; A247-N252 PolarHBondContact O-N 3.29Å; A247-G253 PolarHBondContact O-N 2.77Å; A247-I256 HydrophobicContact CB-CB 3.7Å; A247-I256 HydrophobicContact CB-CD1 3.17Å; A247-I256 HydrophobicContact CB-CG1 3.38Å; A247-I256 HydrophobicContact CB-CG2 4.42Å |
| 248 | F | 90.9 | Very high | 80.5 | Confident | 92 Ų | 92 | 37 Ų | 37 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.9 | -47.3 | 173.3 | 173.7 | -104 | 0 | 0 | 0 | 111.3 | R244 M245 W246 T250 G251 I261 | R244-F248 WeakPolarHBondContact O-CB 3.33Å; R244-F248 PolarHBondContact O-N 2.86Å; M245-F248 PolarHBondContact O-N 3.34Å; M245-F248 HydrophobicContact SD-CD1 4.39Å; W246-F248 PolarHBondContact O-N 2.84Å; F248-T250 PolarHBondContact O-N 3.06Å; F248-G251 PolarHBondContact O-N 2.96Å; F248-I261 HydrophobicContact CB-CD1 3.85Å; F248-I261 HydrophobicContact CD1-CD1 3.71Å; F248-I261 HydrophobicContact CD2-CD1 3.95Å; F248-I261 HydrophobicContact CE1-CD1 4.25Å; F248-I261 HydrophobicContact CE2-CD1 4.46Å; F248-I261 HydrophobicContact CG-CD1 3.54Å |
| 249 | R | 91.7 | Very high | 77.7 | Confident | 100 Ų | 100 | 38.7 Ų | 38.7 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73.7 | -24.1 | -176.1 | -71.7 | -160.7 | 70.6 | 176.1 | 9.9 | 114.4 | V145 R178 S179 M245 W246 A247 G251 | V145-R249 HydrophobicContact CG1-CB 3.56Å; V145-R249 HydrophobicContact CG1-CG 4.44Å; V145-R249 WeakPolarHBondContact O-CD 3.46Å; V145-R249 PolarHBondContact O-NH1 3.38Å; R178-R249 VanDerWaalsContact O-CZ 3.26Å; R178-R249 PolarHBondContact O-NH1 3.29Å; R178-R249 PolarHBondContact O-NH2 3.2Å; S179-R249 VanDerWaalsContact C-NH1 3.32Å; S179-R249 VanDerWaalsContact CA-NH1 3.33Å; M245-R249 HydrophobicContact CG-CG 4.42Å; M245-R249 WeakPolarHBondContact O-CB 3.39Å; M245-R249 VanDerWaalsContact O-CG 3.26Å; M245-R249 WeakPolarHBondContact O-CG 3.38Å; M245-R249 PolarHBondContact O-N 2.91Å; M245-R249 HydrophobicContact SD-CG 3.95Å; W246-R249 PolarHBondContact O-N 3.48Å; W246-R249 VanDerWaalsContact O-N 3.1Å; A247-R249 VanDerWaalsContact C-N 3.3Å; A247-R249 PolarHBondContact O-N 2.93Å; R249-G251 VanDerWaalsContact C-N 3.34Å |
| 250 | T | 93.2 | Very high | 74.8 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 22% | 0.221 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 8.1 | 174.7 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | N39 V145 W246 A247 F248 N252 | N39-T250 HydrophobicContact CB-CG2 4.3Å; V145-T250 HydrophobicContact CG1-CG2 4.06Å; V145-T250 HydrophobicContact CG2-CG2 4.1Å; W246-T250 HydrophobicContact CD2-CG2 4.19Å; W246-T250 HydrophobicContact CZ2-CG2 3.83Å; W246-T250 WeakPolarHBondContact O-CG2 3.08Å; W246-T250 PolarHBondContact O-N 3.01Å; W246-T250 PolarHBondContact O-OG1 3.49Å; A247-T250 PolarHBondContact O-N 3.08Å; A247-T250 PolarHBondContact O-OG1 3.34Å; F248-T250 PolarHBondContact O-N 3.06Å; T250-N252 PolarHBondContact O-N 3.42Å; T250-N252 PolarHBondContact OG1-ND2 2.7Å |
| 251 | G | 90 | Very high | 72.3 | Confident | 61 Ų | 61 | 43.4 Ų | 43.4 | 63% | 0.629 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 6.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A247 F248 R249 G253 | A247-G251 PolarHBondContact O-N 3.37Å; F248-G251 PolarHBondContact O-N 2.96Å; R249-G251 VanDerWaalsContact C-N 3.34Å; G251-G253 VanDerWaalsContact C-N 3.32Å |
| 252 | N | 86.6 | Confident | 69.5 | Low | 50 Ų | 50 | 47.1 Ų | 47.1 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | trans | -90.5 | 8.5 | 177.5 | -68.2 | -43.5 | 0 | 0 | 0 | 113.1 | F65 A247 T250 T254 S255 I256 | F65-N252 HydrophobicContact CE1-CB 4.09Å; F65-N252 WeakPolarHBondContact CE1-ND2 3.45Å; F65-N252 HydrophobicContact CZ-CB 3.64Å; A247-N252 HydrophobicContact CB-CB 3.97Å; A247-N252 CarbonylContact O-C 3.59Å; A247-N252 WeakPolarHBondContact O-CA 3.18Å; A247-N252 PolarHBondContact O-N 3.29Å; T250-N252 PolarHBondContact O-N 3.42Å; T250-N252 PolarHBondContact OG1-ND2 2.7Å; N252-T254 PolarHBondContact O-N 3.26Å; N252-S255 WeakPolarHBondContact O-CB 3.44Å; N252-S255 PolarHBondContact O-N 3.06Å; N252-I256 PolarHBondContact O-N 2.98Å | ||
| 253 | G | 67.8 | Low | 66.5 | Low | 8 Ų | 8 | 52.5 Ų | 52.5 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | A247 G251 I256 E257 A258 | A247-G253 PolarHBondContact O-N 2.77Å; G251-G253 VanDerWaalsContact C-N 3.32Å; G253-I256 CarbonylContact C-O 3.53Å; G253-I256 CarbonylContact O-C 3.48Å; G253-E257 CarbonylContact O-C 3.56Å; G253-E257 WeakPolarHBondContact O-CA 3.25Å; G253-E257 PolarHBondContact O-N 3.32Å; G253-A258 PolarHBondContact O-N 2.89Å |
| 254 | T | 55.9 | Low | 63.7 | Low | 127 Ų | 127 | 56.6 Ų | 56.6 | 78% | 0.779 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -30.7 | 167.5 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | N252 | N252-T254 PolarHBondContact O-N 3.26Š|
| 255 | S | 52.5 | Low | 60.8 | Low | 65 Ų | 65 | 63.3 Ų | 63.3 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -21.3 | 170.9 | -53 | 0 | 0 | 0 | 0 | 112.7 | N252 | N252-S255 WeakPolarHBondContact O-CB 3.44Å; N252-S255 PolarHBondContact O-N 3.06Å |
| 256 | I | 50.9 | Low | 57.8 | Low | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.031 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -124.1 | 74.6 | 177 | -47.4 | -157.2 | 0 | 0 | 0 | 108.2 | L60 Q63 F65 R244 A247 N252 G253 A258 F283 | L60-I256 HydrophobicContact CD2-CD1 3.85Å; Q63-I256 HydrophobicContact CG-CD1 4.41Å; F65-I256 HydrophobicContact CE2-CD1 4.43Å; R244-I256 HydrophobicContact CB-CG2 4.04Å; R244-I256 HydrophobicContact CG-CG2 4.04Å; A247-I256 HydrophobicContact CB-CB 3.7Å; A247-I256 HydrophobicContact CB-CD1 3.17Å; A247-I256 HydrophobicContact CB-CG1 3.38Å; A247-I256 HydrophobicContact CB-CG2 4.42Å; N252-I256 PolarHBondContact O-N 2.98Å; G253-I256 CarbonylContact C-O 3.53Å; G253-I256 CarbonylContact O-C 3.48Å; I256-A258 PolarHBondContact O-N 3.43Å; I256-F283 HydrophobicContact CB-CZ 3.83Å; I256-F283 HydrophobicContact CD1-CE1 3.91Å; I256-F283 HydrophobicContact CD1-CZ 3.88Å; I256-F283 HydrophobicContact CG1-CE1 4.28Å; I256-F283 HydrophobicContact CG1-CZ 3.72Å; I256-F283 HydrophobicContact CG2-CE1 3.95Å; I256-F283 HydrophobicContact CG2-CE2 3.93Å; I256-F283 HydrophobicContact CG2-CZ 3.36Å |
| 257 | E | 45.4 | Very low | 54.9 | Low | 107 Ų | 107 | 76.9 Ų | 76.9 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | trans | -34.8 | 129 | -162.2 | -70 | 177.1 | -179.9 | 0 | 0 | 115.8 | G253 A259 H279 | G253-E257 CarbonylContact O-C 3.56Å; G253-E257 WeakPolarHBondContact O-CA 3.25Å; G253-E257 PolarHBondContact O-N 3.32Å; E257-A259 PolarHBondContact O-N 3.08Å; E257-H279 WeakPolarHBondContact OE2-CB 3.49Å; E257-H279 IonicContact OE2-CG 2.73Å | ||
| 258 | A | 35.8 | Very low | 52 | Low | 77 Ų | 77 | 83.9 Ų | 83.9 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | trans | -64.5 | 50.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G253 I256 S260 | G253-A258 PolarHBondContact O-N 2.89Å; I256-A258 PolarHBondContact O-N 3.43Å; A258-S260 PolarHBondContact O-N 2.9Å | ||
| 259 | A | 35.1 | Very low | 49.4 | Very low | 34 Ų | 34 | 90.5 Ų | 90.5 | 28% | 0.281 | 52% | 0.52 | S | S | . | . | trans | -71.1 | 75.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R244 E257 F275 | R244-A259 PolarHBondContact NH2-O 3.32Å; E257-A259 PolarHBondContact O-N 3.08Å; A259-F275 VanDerWaalsContact O-CD1 3.25Å; A259-F275 WeakPolarHBondContact O-CD1 3.37Å | ||
| 260 | S | 33.8 | Very low | 46.7 | Very low | 73 Ų | 73 | 96 Ų | 96 | 51% | 0.51 | 54% | 0.541 | S | S | . | . | trans | 58.7 | 61.5 | 162.5 | 42 | 0 | 0 | 0 | 0 | 116.4 | A258 S262 F275 | A258-S260 PolarHBondContact O-N 2.9Å; S260-S262 PolarHBondContact O-N 2.88Å; S260-F275 VanDerWaalsContact C-CE1 3.45Å; S260-F275 WeakPolarHBondContact O-CD1 2.91Å; S260-F275 WeakPolarHBondContact O-CE1 3.31Å; S260-F275 VanDerWaalsContact O-CZ 3.25Å; S260-F275 WeakPolarHBondContact O-CZ 2.99Å | ||
| 261 | I | 39.3 | Very low | 44 | Very low | 32 Ų | 32 | 102.1 Ų | 102.1 | 16% | 0.164 | 57% | 0.565 | C | S | . | * | trans | -69.2 | 88.6 | 156.7 | -57.1 | 169.5 | 0 | 0 | 0 | 107.8 | M245 F248 L263 F275 | M245-I261 HydrophobicContact CE-CD1 4.13Å; M245-I261 HydrophobicContact CE-CG2 4.32Å; F248-I261 HydrophobicContact CB-CD1 3.85Å; F248-I261 HydrophobicContact CD1-CD1 3.71Å; F248-I261 HydrophobicContact CD2-CD1 3.95Å; F248-I261 HydrophobicContact CE1-CD1 4.25Å; F248-I261 HydrophobicContact CE2-CD1 4.46Å; F248-I261 HydrophobicContact CG-CD1 3.54Å; I261-L263 HydrophobicContact CG2-CD2 4.48Å; I261-L263 HydrophobicContact CG2-CG 4.38Å; I261-L263 PolarHBondContact O-N 3.33Å; I261-F275 VanDerWaalsContact CA-CE1 3.47Å; I261-F275 HydrophobicContact CB-CE1 4.15Å; I261-F275 HydrophobicContact CB-CZ 4.38Å; I261-F275 HydrophobicContact CG1-CE1 3.76Å; I261-F275 HydrophobicContact CG1-CZ 4.33Å | ||
| 262 | S | 32 | Very low | 41.4 | Very low | 87 Ų | 87 | 107.4 Ų | 107.4 | 61% | 0.608 | 57% | 0.57 | S | S | * | * | trans | -70.3 | 97.5 | 163.9 | 44.3 | 0 | 0 | 0 | 0 | 107.9 | S260 | S260-S262 PolarHBondContact O-N 2.88Š| ||
| 263 | L | 32.8 | Very low | 39.4 | Very low | 113 Ų | 113 | 106.5 Ų | 106.5 | 59% | 0.592 | 57% | 0.565 | S | S | * | * | trans | -59.1 | 126 | 167.4 | -73 | 162.3 | 0 | 0 | 0 | 107.9 | I261 L265 | I261-L263 HydrophobicContact CG2-CD2 4.48Å; I261-L263 HydrophobicContact CG2-CG 4.38Å; I261-L263 PolarHBondContact O-N 3.33Å; L263-L265 PolarHBondContact O-N 3.47Å; L263-L265 VanDerWaalsContact O-N 3.1Å | ||
| 264 | P | 35.3 | Very low | 37.8 | Very low | 87 Ų | 87 | 114.5 Ų | 114.5 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | trans | -68.8 | 114 | 174.5 | 16.5 | -13.2 | 0 | 0 | 0 | 108.8 | Y206 | Y206-P264 HydrophobicContact CE1-CG 4.05Å; Y206-P264 WeakPolarHBondContact OH-CD 3.32Å | ||
| 265 | L | 28 | Very low | 37.1 | Very low | 162 Ų | 162 | 109 Ų | 109 | 85% | 0.848 | 56% | 0.563 | S | S | * | * | trans | -55.3 | 136.8 | 163.5 | -73.1 | 163 | 0 | 0 | 0 | 108.6 | L263 G267 | L263-L265 PolarHBondContact O-N 3.47Å; L263-L265 VanDerWaalsContact O-N 3.1Å; L265-G267 PolarHBondContact O-N 3.36Å | ||
| 266 | K | 28.4 | Very low | 36.5 | Very low | 216 Ų | 216 | 109.1 Ų | 109.1 | 94% | 0.939 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -37 | 124.5 | -175 | -77.2 | 176.4 | 171.8 | 178.1 | 0 | 112.7 | ||
| 267 | G | 34.3 | Very low | 36.1 | Very low | 82 Ų | 82 | 109.2 Ų | 109.2 | 85% | 0.845 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 105.7 | 31.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | L265 | L265-G267 PolarHBondContact O-N 3.36Š|
| 268 | M | 33 | Very low | 35.9 | Very low | 146 Ų | 146 | 110.3 Ų | 110.3 | 72% | 0.719 | 58% | 0.578 | S | S | * | * | trans | -132.9 | 141.4 | -179.6 | -117.7 | -177.3 | 169.5 | 0 | 0 | 116.8 | ||||
| 269 | R | 35.1 | Very low | 36.3 | Very low | 231 Ų | 231 | 112.9 Ų | 112.9 | 87% | 0.872 | 58% | 0.576 | S | S | * | * | trans | -42.2 | 157.5 | 175.4 | -67.8 | 170.1 | 169.2 | 170 | -3.9 | 114.6 | K271 | R269-K271 VanDerWaalsContact C-N 3.35Å; R269-K271 PolarHBondContact O-N 3.47Å | ||
| 270 | R | 35.5 | Very low | 37.2 | Very low | 215 Ų | 215 | 111.8 Ų | 111.8 | 81% | 0.811 | 57% | 0.566 | S | S | * | * | trans | -28.4 | 85.2 | 168.9 | -76 | 179.8 | 167 | 145.9 | -2.9 | 112.5 | ||||
| 271 | K | 36.7 | Very low | 38.1 | Very low | 166 Ų | 166 | 114.4 Ų | 114.4 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | trans | -93.6 | 112.4 | 165.4 | -84.8 | -173.7 | 174.7 | 179.8 | 0 | 106.4 | R269 M273 | R269-K271 VanDerWaalsContact C-N 3.35Å; R269-K271 PolarHBondContact O-N 3.47Å; K271-M273 PolarHBondContact O-N 2.86Å | ||
| 272 | K | 35.5 | Very low | 38.9 | Very low | 172 Ų | 172 | 118.4 Ų | 118.4 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | trans | -55.4 | 122.5 | 161.3 | -74.1 | -175.3 | 174.3 | -172.3 | 0 | 106.6 | F274 | K272-F274 HydrophobicContact CB-CE2 4.45Å; K272-F274 PolarHBondContact O-N 3.35Å; K272-F274 VanDerWaalsContact O-N 3.13Å | ||
| 273 | M | 43.8 | Very low | 40.2 | Very low | 30 Ų | 30 | 115.1 Ų | 115.1 | 15% | 0.148 | 56% | 0.556 | C | S | . | * | trans | -62.4 | 105.9 | 168.4 | -88.7 | -157 | -12.1 | 0 | 0 | 108 | Y206 Q241 K271 F275 | Y206-M273 HydrophobicContact CD1-CG 4.48Å; Y206-M273 HydrophobicContact CD1-SD 3.91Å; Y206-M273 HydrophobicContact CE1-SD 4.43Å; Q241-M273 VanDerWaalsContact OE1-CE 3.25Å; K271-M273 PolarHBondContact O-N 2.86Å; M273-F275 HydrophobicContact CB-CD2 3.48Å; M273-F275 VanDerWaalsContact CB-CD2 3.48Å; M273-F275 HydrophobicContact CB-CE2 3.34Å; M273-F275 HydrophobicContact CB-CZ 4.5Å; M273-F275 HydrophobicContact CE-CD2 3.57Å; M273-F275 HydrophobicContact CE-CE1 4.38Å; M273-F275 HydrophobicContact CE-CE2 3.35Å; M273-F275 HydrophobicContact CE-CG 4.28Å; M273-F275 HydrophobicContact CE-CZ 3.71Å; M273-F275 HydrophobicContact CG-CD2 3.91Å; M273-F275 HydrophobicContact CG-CE2 3.2Å; M273-F275 HydrophobicContact CG-CZ 4.02Å; M273-F275 HydrophobicContact SD-CD2 3.91Å; M273-F275 HydrophobicContact SD-CE1 4.39Å; M273-F275 HydrophobicContact SD-CE2 3.05Å; M273-F275 WeakPolarHBondContact SD-CE2 3.47Å; M273-F275 HydrophobicContact SD-CZ 3.29Å; M273-F275 WeakPolarHBondContact SD-CZ 3.36Å | ||
| 274 | F | 33.8 | Very low | 41.5 | Very low | 177 Ų | 177 | 109.8 Ų | 109.8 | 78% | 0.776 | 53% | 0.528 | S | S | * | . | trans | -89.7 | 104 | 161.5 | -78.1 | -82 | 0 | 0 | 0 | 107.1 | K272 | K272-F274 HydrophobicContact CB-CE2 4.45Å; K272-F274 PolarHBondContact O-N 3.35Å; K272-F274 VanDerWaalsContact O-N 3.13Å | ||
| 275 | F | 42.3 | Very low | 42.7 | Very low | 11 Ų | 11 | 108.9 Ų | 108.9 | 5% | 0.048 | 52% | 0.518 | C | S | . | . | trans | -101.5 | 119.3 | 174.1 | -79.5 | -114.2 | 0 | 0 | 0 | 106.4 | A259 S260 I261 M273 L277 | A259-F275 VanDerWaalsContact O-CD1 3.25Å; A259-F275 WeakPolarHBondContact O-CD1 3.37Å; S260-F275 VanDerWaalsContact C-CE1 3.45Å; S260-F275 WeakPolarHBondContact O-CD1 2.91Å; S260-F275 WeakPolarHBondContact O-CE1 3.31Å; S260-F275 VanDerWaalsContact O-CZ 3.25Å; S260-F275 WeakPolarHBondContact O-CZ 2.99Å; I261-F275 VanDerWaalsContact CA-CE1 3.47Å; I261-F275 HydrophobicContact CB-CE1 4.15Å; I261-F275 HydrophobicContact CB-CZ 4.38Å; I261-F275 HydrophobicContact CG1-CE1 3.76Å; I261-F275 HydrophobicContact CG1-CZ 4.33Å; M273-F275 HydrophobicContact CB-CD2 3.48Å; M273-F275 VanDerWaalsContact CB-CD2 3.48Å; M273-F275 HydrophobicContact CB-CE2 3.34Å; M273-F275 HydrophobicContact CB-CZ 4.5Å; M273-F275 HydrophobicContact CE-CD2 3.57Å; M273-F275 HydrophobicContact CE-CE1 4.38Å; M273-F275 HydrophobicContact CE-CE2 3.35Å; M273-F275 HydrophobicContact CE-CG 4.28Å; M273-F275 HydrophobicContact CE-CZ 3.71Å; M273-F275 HydrophobicContact CG-CD2 3.91Å; M273-F275 HydrophobicContact CG-CE2 3.2Å; M273-F275 HydrophobicContact CG-CZ 4.02Å; M273-F275 HydrophobicContact SD-CD2 3.91Å; M273-F275 HydrophobicContact SD-CE1 4.39Å; M273-F275 HydrophobicContact SD-CE2 3.05Å; M273-F275 WeakPolarHBondContact SD-CE2 3.47Å; M273-F275 HydrophobicContact SD-CZ 3.29Å; M273-F275 WeakPolarHBondContact SD-CZ 3.36Å; F275-L277 HydrophobicContact CB-CD2 4.49Å; F275-L277 HydrophobicContact CB-CG 4.36Å; F275-L277 WeakPolarHBondContact O-CD1 3.36Å; F275-L277 VanDerWaalsContact O-CG 3.22Å; F275-L277 WeakPolarHBondContact O-CG 3.27Å; F275-L277 PolarHBondContact O-N 3.05Å | ||
| 276 | A | 38.8 | Very low | 44.4 | Very low | 68 Ų | 68 | 102.3 Ų | 102.3 | 56% | 0.562 | 48% | 0.483 | S | S | * | . | trans | -70.7 | 118.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 277 | L | 43.4 | Very low | 46.4 | Very low | 7 Ų | 7 | 92 Ų | 92 | 4% | 0.037 | 44% | 0.439 | C | S | . | . | trans | -109.4 | 42.1 | -162 | -75.4 | 146.2 | 0 | 0 | 0 | 112.2 | Y214 F275 H279 V280 | Y214-L277 HydrophobicContact CD1-CD1 3.17Å; Y214-L277 HydrophobicContact CD1-CD2 3.81Å; Y214-L277 HydrophobicContact CD1-CG 4.04Å; Y214-L277 HydrophobicContact CE1-CD1 3.7Å; Y214-L277 HydrophobicContact CE1-CD2 3.93Å; Y214-L277 HydrophobicContact CE1-CG 4.47Å; Y214-L277 HydrophobicContact CG-CD1 4.01Å; F275-L277 HydrophobicContact CB-CD2 4.49Å; F275-L277 HydrophobicContact CB-CG 4.36Å; F275-L277 WeakPolarHBondContact O-CD1 3.36Å; F275-L277 VanDerWaalsContact O-CG 3.22Å; F275-L277 WeakPolarHBondContact O-CG 3.27Å; F275-L277 PolarHBondContact O-N 3.05Å; L277-H279 PolarHBondContact O-N 3.41Å; L277-V280 HydrophobicContact CB-CG2 3.52Å; L277-V280 HydrophobicContact CD2-CG2 3.13Å; L277-V280 HydrophobicContact CG-CG2 3.83Å; L277-V280 PolarHBondContact O-N 3.45Å | ||
| 278 | N | 40.3 | Very low | 47.9 | Very low | 131 Ų | 131 | 89.4 Ų | 89.4 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -11.6 | -173.5 | -72.9 | -4 | 0 | 0 | 0 | 114.5 | ||
| 279 | H | 45.5 | Very low | 49.9 | Very low | 131 Ų | 131 | 92.3 Ų | 92.3 | 61% | 0.606 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | 20.3 | -178.6 | -90.9 | -84.4 | 0 | 0 | 0 | 116.5 | E257 L277 R281 | E257-H279 WeakPolarHBondContact OE2-CB 3.49Å; E257-H279 IonicContact OE2-CG 2.73Å; L277-H279 PolarHBondContact O-N 3.41Å; H279-R281 PolarHBondContact O-N 2.82Å; H279-R281 VanDerWaalsContact O-N 3.12Å |
| 280 | V | 52.9 | Low | 52.3 | Low | 11 Ų | 11 | 81.5 Ų | 81.5 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -6.3 | 172 | -164.8 | 0 | 0 | 0 | 0 | 112.4 | L240 L277 K282 F283 I284 | L240-V280 HydrophobicContact CD1-CG1 4.06Å; L240-V280 HydrophobicContact CD2-CG1 3.72Å; L277-V280 HydrophobicContact CB-CG2 3.52Å; L277-V280 HydrophobicContact CD2-CG2 3.13Å; L277-V280 HydrophobicContact CG-CG2 3.83Å; L277-V280 PolarHBondContact O-N 3.45Å; V280-K282 VanDerWaalsContact C-N 3.28Å; V280-K282 PolarHBondContact O-N 3.11Å; V280-K282 VanDerWaalsContact O-N 3.09Å; V280-F283 HydrophobicContact CG1-CB 3.82Å; V280-F283 WeakPolarHBondContact O-CA 3.24Å; V280-F283 WeakPolarHBondContact O-CB 3.28Å; V280-F283 PolarHBondContact O-N 3.21Å; V280-I284 HydrophobicContact CB-CD1 3.65Å; V280-I284 HydrophobicContact CB-CG1 4.28Å; V280-I284 HydrophobicContact CG1-CB 4.42Å; V280-I284 HydrophobicContact CG1-CD1 3.44Å; V280-I284 VanDerWaalsContact CG1-CD1 3.44Å; V280-I284 HydrophobicContact CG1-CG1 3.55Å; V280-I284 PolarHBondContact O-N 2.99Å |
| 281 | R | 53.1 | Low | 54.8 | Low | 128 Ų | 128 | 74.5 Ų | 74.5 | 48% | 0.483 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -45.1 | -49.5 | -176.5 | -168.6 | 165.8 | -178.5 | -172 | -5.6 | 112.8 | P217 D219 H279 L285 | P217-R281 HydrophobicContact CB-CG 4.37Å; P217-R281 HydrophobicContact CG-CB 3.81Å; P217-R281 HydrophobicContact CG-CG 3.81Å; D219-R281 IonicContact OD1-CZ 3.48Å; D219-R281 IonicContact OD1-NE 2.97Å; D219-R281 PolarHBondContact OD1-NE 3.28Å; D219-R281 IonicContact OD1-NH2 2.95Å; D219-R281 PolarHBondContact OD1-NH2 3.06Å; D219-R281 IonicContact OD2-CZ 3.4Å; D219-R281 IonicContact OD2-NE 3.45Å; D219-R281 PolarHBondContact OD2-NE 2.71Å; D219-R281 IonicContact OD2-NH2 3.38Å; D219-R281 PolarHBondContact OD2-NH2 3.01Å; H279-R281 PolarHBondContact O-N 2.82Å; H279-R281 VanDerWaalsContact O-N 3.12Å; R281-L285 HydrophobicContact CG-CD1 4.48Å; R281-L285 VanDerWaalsContact O-CG 3.23Å; R281-L285 WeakPolarHBondContact O-CG 3.44Å; R281-L285 PolarHBondContact O-N 3.36Å; R281-L285 VanDerWaalsContact O-N 3.1Å |
| 282 | K | 55.4 | Low | 57.4 | Low | 115 Ų | 115 | 67.5 Ų | 67.5 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 178.2 | -163.7 | -178.9 | 176.6 | -162.9 | 0 | 111.4 | V280 L285 L286 | V280-K282 VanDerWaalsContact C-N 3.28Å; V280-K282 PolarHBondContact O-N 3.11Å; V280-K282 VanDerWaalsContact O-N 3.09Å; K282-L285 PolarHBondContact O-N 2.61Å; K282-L286 HydrophobicContact CG-CD1 4.06Å; K282-L286 WeakPolarHBondContact O-CD1 3.26Å; K282-L286 WeakPolarHBondContact O-CG 3.22Å; K282-L286 PolarHBondContact O-N 3.47Å |
| 283 | F | 59.3 | Low | 60 | Low | 19 Ų | 19 | 59.3 Ų | 59.3 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 179.9 | -72.1 | -82.7 | 0 | 0 | 0 | 113.5 | I59 Q63 L240 I256 V280 L286 I287 | I59-F283 HydrophobicContact CG2-CD1 3.36Å; I59-F283 HydrophobicContact CG2-CE1 3.45Å; I59-F283 VanDerWaalsContact CG2-CE1 3.45Å; Q63-F283 HydrophobicContact CG-CE1 4.15Å; Q63-F283 HydrophobicContact CG-CZ 4.23Å; L240-F283 HydrophobicContact CD1-CB 3.66Å; L240-F283 HydrophobicContact CD1-CD1 4.08Å; L240-F283 HydrophobicContact CD1-CG 3.97Å; I256-F283 HydrophobicContact CB-CZ 3.83Å; I256-F283 HydrophobicContact CD1-CE1 3.91Å; I256-F283 HydrophobicContact CD1-CZ 3.88Å; I256-F283 HydrophobicContact CG1-CE1 4.28Å; I256-F283 HydrophobicContact CG1-CZ 3.72Å; I256-F283 HydrophobicContact CG2-CE1 3.95Å; I256-F283 HydrophobicContact CG2-CE2 3.93Å; I256-F283 HydrophobicContact CG2-CZ 3.36Å; V280-F283 HydrophobicContact CG1-CB 3.82Å; V280-F283 WeakPolarHBondContact O-CA 3.24Å; V280-F283 WeakPolarHBondContact O-CB 3.28Å; V280-F283 PolarHBondContact O-N 3.21Å; F283-L286 WeakPolarHBondContact O-CB 3.21Å; F283-L286 PolarHBondContact O-N 3.44Å; F283-L286 VanDerWaalsContact O-N 3.13Å; F283-I287 WeakPolarHBondContact O-CG1 3.39Å; F283-I287 PolarHBondContact O-N 3.11Å; F283-I287 VanDerWaalsContact O-N 3.09Å |
| 284 | I | 60.3 | Low | 62.2 | Low | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 177.5 | -83.8 | 156.6 | 0 | 0 | 0 | 109.8 | W211 I216 A220 V280 L286 I287 F288 | W211-I284 HydrophobicContact CH2-CG1 4.44Å; I216-I284 HydrophobicContact CG1-CD1 4.04Å; I216-I284 HydrophobicContact CG2-CG2 4.23Å; A220-I284 HydrophobicContact CB-CG2 4.11Å; V280-I284 HydrophobicContact CB-CD1 3.65Å; V280-I284 HydrophobicContact CB-CG1 4.28Å; V280-I284 HydrophobicContact CG1-CB 4.42Å; V280-I284 HydrophobicContact CG1-CD1 3.44Å; V280-I284 VanDerWaalsContact CG1-CD1 3.44Å; V280-I284 HydrophobicContact CG1-CG1 3.55Å; V280-I284 PolarHBondContact O-N 2.99Å; I284-L286 PolarHBondContact O-N 3.42Å; I284-I287 PolarHBondContact O-N 2.9Å; I284-F288 HydrophobicContact CB-CE2 4.33Å; I284-F288 HydrophobicContact CG2-CD2 4.04Å; I284-F288 HydrophobicContact CG2-CE2 3.11Å; I284-F288 HydrophobicContact CG2-CZ 3.62Å; I284-F288 WeakPolarHBondContact O-CD2 3.42Å; I284-F288 VanDerWaalsContact O-CE2 3.29Å; I284-F288 WeakPolarHBondContact O-CE2 3.32Å; I284-F288 WeakPolarHBondContact O-CG 3.08Å; I284-F288 PolarHBondContact O-N 2.78Å |
| 285 | L | 60.6 | Low | 64.9 | Low | 69 Ų | 69 | 52.1 Ų | 52.1 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -53.4 | -30.9 | 175.1 | -70.3 | 179.1 | 0 | 0 | 0 | 113.9 | L223 R281 K282 | L223-L285 HydrophobicContact CD1-CD2 3.24Å; R281-L285 HydrophobicContact CG-CD1 4.48Å; R281-L285 VanDerWaalsContact O-CG 3.23Å; R281-L285 WeakPolarHBondContact O-CG 3.44Å; R281-L285 PolarHBondContact O-N 3.36Å; R281-L285 VanDerWaalsContact O-N 3.1Å; K282-L285 PolarHBondContact O-N 2.61Å |
| 286 | L | 65.2 | Low | 67.2 | Low | 23 Ų | 23 | 52.1 Ų | 52.1 | 12% | 0.12 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -87.3 | -31.4 | -174.9 | -64.8 | 163.6 | 0 | 0 | 0 | 113.1 | S58 S62 K282 F283 I284 F288 R289 C290 | S58-L286 PolarHBondContact OG-O 3.13Å; S62-L286 WeakPolarHBondContact OG-CD1 3.33Å; S62-L286 WeakPolarHBondContact OG-CD2 3.3Å; K282-L286 HydrophobicContact CG-CD1 4.06Å; K282-L286 WeakPolarHBondContact O-CD1 3.26Å; K282-L286 WeakPolarHBondContact O-CG 3.22Å; K282-L286 PolarHBondContact O-N 3.47Å; F283-L286 WeakPolarHBondContact O-CB 3.21Å; F283-L286 PolarHBondContact O-N 3.44Å; F283-L286 VanDerWaalsContact O-N 3.13Å; I284-L286 PolarHBondContact O-N 3.42Å; L286-F288 PolarHBondContact O-N 2.89Å; L286-R289 PolarHBondContact O-N 2.77Å; L286-R289 VanDerWaalsContact O-N 3.12Å; L286-C290 PolarHBondContact O-N 2.68Å |
| 287 | I | 69 | Low | 69.7 | Low | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -31.9 | 169 | -68.3 | 170.5 | 0 | 0 | 0 | 109.9 | F55 I59 W211 L225 G226 A236 L240 F283 I284 R289 C290 | F55-I287 HydrophobicContact CD1-CB 4.47Å; F55-I287 HydrophobicContact CD1-CG2 3.75Å; F55-I287 HydrophobicContact CE1-CG2 3.66Å; F55-I287 HydrophobicContact CZ-CG2 4.43Å; I59-I287 HydrophobicContact CD1-CD1 3.98Å; I59-I287 HydrophobicContact CD1-CG1 3.76Å; I59-I287 HydrophobicContact CG1-CG1 3.91Å; W211-I287 HydrophobicContact CH2-CD1 3.91Å; W211-I287 HydrophobicContact CH2-CG2 4.32Å; W211-I287 HydrophobicContact CZ3-CD1 4.05Å; L225-I287 HydrophobicContact CD2-CG2 3.34Å; G226-I287 PolarHBondContact N-O 3.22Å; G226-I287 VanDerWaalsContact N-O 3.11Å; A236-I287 HydrophobicContact CB-CG2 3.93Å; L240-I287 HydrophobicContact CB-CD1 4.38Å; F283-I287 WeakPolarHBondContact O-CG1 3.39Å; F283-I287 PolarHBondContact O-N 3.11Å; F283-I287 VanDerWaalsContact O-N 3.09Å; I284-I287 PolarHBondContact O-N 2.9Å; I287-R289 VanDerWaalsContact C-N 3.3Å; I287-R289 PolarHBondContact O-N 3.01Å; I287-C290 WeakPolarHBondContact O-CB 3.37Å; I287-C290 PolarHBondContact O-N 3.35Å |
| 288 | F | 66.4 | Low | 72 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -18.2 | 176.3 | -57.4 | -50.9 | 0 | 0 | 0 | 114.9 | A220 L223 V224 L225 G226 I284 L286 | A220-F288 HydrophobicContact CB-CE2 4.46Å; L223-F288 VanDerWaalsContact C-CE1 3.43Å; L223-F288 HydrophobicContact CB-CD1 3.81Å; L223-F288 HydrophobicContact CB-CD2 3.27Å; L223-F288 HydrophobicContact CB-CE1 3.69Å; L223-F288 HydrophobicContact CB-CE2 3.11Å; L223-F288 HydrophobicContact CB-CG 3.64Å; L223-F288 HydrophobicContact CB-CZ 3.35Å; L223-F288 HydrophobicContact CD1-CD2 3.4Å; L223-F288 HydrophobicContact CD1-CE2 3.47Å; L223-F288 VanDerWaalsContact CD1-CE2 3.47Å; L223-F288 HydrophobicContact CD1-CG 4.37Å; L223-F288 HydrophobicContact CD1-CZ 4.5Å; L223-F288 HydrophobicContact CG-CD2 3.9Å; L223-F288 HydrophobicContact CG-CE2 3.91Å; L223-F288 WeakPolarHBondContact O-CE1 3.27Å; L223-F288 VanDerWaalsContact O-CZ 3.31Å; L223-F288 WeakPolarHBondContact O-CZ 3.06Å; V224-F288 WeakPolarHBondContact O-CD1 3.01Å; L225-F288 HydrophobicContact CD2-CD1 4.3Å; L225-F288 HydrophobicContact CD2-CE1 3.96Å; G226-F288 VanDerWaalsContact CA-O 3.25Å; G226-F288 WeakPolarHBondContact CA-O 3.32Å; I284-F288 HydrophobicContact CB-CE2 4.33Å; I284-F288 HydrophobicContact CG2-CD2 4.04Å; I284-F288 HydrophobicContact CG2-CE2 3.11Å; I284-F288 HydrophobicContact CG2-CZ 3.62Å; I284-F288 WeakPolarHBondContact O-CD2 3.42Å; I284-F288 VanDerWaalsContact O-CE2 3.29Å; I284-F288 WeakPolarHBondContact O-CE2 3.32Å; I284-F288 WeakPolarHBondContact O-CG 3.08Å; I284-F288 PolarHBondContact O-N 2.78Å; L286-F288 PolarHBondContact O-N 2.89Å |
| 289 | R | 75.1 | Confident | 74.4 | Confident | 208 Ų | 208 | 46.5 Ų | 46.5 | 79% | 0.785 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -0.5 | 174.7 | -66.3 | -175.6 | 174.1 | 178.6 | -2.1 | 113.7 | L286 I287 F291 | L286-R289 PolarHBondContact O-N 2.77Å; L286-R289 VanDerWaalsContact O-N 3.12Å; I287-R289 VanDerWaalsContact C-N 3.3Å; I287-R289 PolarHBondContact O-N 3.01Å; R289-F291 PolarHBondContact O-N 2.71Å |
| 290 | C | 86.4 | Confident | 76.6 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | trans | -67.5 | 125.6 | -179.6 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | A54 F55 G226 L286 I287 | A54-C290 PolarHBondContact O-SG 3.41Å; F55-C290 HydrophobicContact CD1-CB 3.47Å; F55-C290 VanDerWaalsContact CD1-CB 3.47Å; F55-C290 WeakPolarHBondContact CD1-SG 3.47Å; F55-C290 HydrophobicContact CE1-CB 3.67Å; G226-C290 CarbonylContact C-O 3.49Å; G226-C290 WeakPolarHBondContact CA-O 3.22Å; G226-C290 VanDerWaalsContact O-O 3.11Å; L286-C290 PolarHBondContact O-N 2.68Å; I287-C290 WeakPolarHBondContact O-CB 3.37Å; I287-C290 PolarHBondContact O-N 3.35Å | ||
| 291 | F | 87.5 | Confident | 78.3 | Confident | 68 Ų | 68 | 44.2 Ų | 44.2 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | trans | -119.1 | 131.9 | 175.4 | 174.9 | -111.9 | 0 | 0 | 0 | 109.8 | R289 P293 Q297 L500 G502 | R289-F291 PolarHBondContact O-N 2.71Å; F291-P293 HydrophobicContact CD1-CG 4.39Å; F291-P293 HydrophobicContact CE1-CB 4.31Å; F291-P293 HydrophobicContact CE1-CG 3.62Å; F291-P293 HydrophobicContact CZ-CB 4.17Å; F291-P293 HydrophobicContact CZ-CG 3.98Å; F291-Q297 HydrophobicContact CE2-CG 4.14Å; F291-L500 WeakPolarHBondContact CE1-O 3.15Å; F291-G502 VanDerWaalsContact CE1-N 3.32Å; F291-G502 VanDerWaalsContact CE2-CA 3.48Å | ||
| 292 | W | 91.3 | Very high | 79.9 | Confident | 18 Ų | 18 | 44 Ų | 44 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | trans | -135.7 | 108.9 | 175.2 | -168.3 | -130 | 0 | 0 | 0 | 109.8 | A54 F69 S71 I227 R295 | A54-W292 HydrophobicContact CB-CB 3.97Å; A54-W292 HydrophobicContact CB-CD2 4.04Å; A54-W292 HydrophobicContact CB-CE3 4.04Å; A54-W292 HydrophobicContact CB-CG 4Å; F69-W292 HydrophobicContact CD1-CH2 4.43Å; F69-W292 HydrophobicContact CD1-CZ3 4.16Å; F69-W292 AromaticContact CE1-CE3 3.94Å; F69-W292 HydrophobicContact CE1-CE3 3.94Å; F69-W292 AromaticContact CE1-CH2 3.45Å; F69-W292 HydrophobicContact CE1-CH2 3.45Å; F69-W292 VanDerWaalsContact CE1-CH2 3.45Å; F69-W292 HydrophobicContact CE1-CZ2 4.19Å; F69-W292 AromaticContact CE1-CZ3 3.3Å; F69-W292 HydrophobicContact CE1-CZ3 3.3Å; F69-W292 AromaticContact CZ-CH2 3.63Å; F69-W292 HydrophobicContact CZ-CH2 3.63Å; F69-W292 AromaticContact CZ-CZ2 4Å; F69-W292 HydrophobicContact CZ-CZ2 4Å; F69-W292 AromaticContact CZ-CZ3 3.96Å; F69-W292 HydrophobicContact CZ-CZ3 3.96Å; S71-W292 WeakPolarHBondContact OG-CH2 2.69Å; I227-W292 HydrophobicContact CD1-CB 3.6Å; I227-W292 HydrophobicContact CG1-CB 4.19Å; W292-R295 VanDerWaalsContact CD1-CG 3.42Å; W292-R295 HydrophobicContact CG-CG 4.33Å; W292-R295 PolarHBondContact O-N 3.14Å | ||
| 293 | P | 90.2 | Very high | 81.3 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 141.4 | -171.1 | -21.9 | 27.2 | 0 | 0 | 0 | 113.2 | I75 F291 R295 L493 L500 | I75-P293 HydrophobicContact CD1-CB 4.21Å; I75-P293 WeakPolarHBondContact CD1-O 3.44Å; F291-P293 HydrophobicContact CD1-CG 4.39Å; F291-P293 HydrophobicContact CE1-CB 4.31Å; F291-P293 HydrophobicContact CE1-CG 3.62Å; F291-P293 HydrophobicContact CZ-CB 4.17Å; F291-P293 HydrophobicContact CZ-CG 3.98Å; P293-R295 PolarHBondContact O-N 3.14Å; P293-L493 HydrophobicContact CB-CD1 4.41Å; P293-L500 HydrophobicContact CB-CB 4.33Å; P293-L500 HydrophobicContact CB-CD2 3.99Å; P293-L500 HydrophobicContact CG-CB 3.88Å; P293-L500 HydrophobicContact CG-CD1 4.46Å; P293-L500 HydrophobicContact CG-CD2 4.45Å |
| 294 | G | 90 | Very high | 82.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 13.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | D309 G310 | G294-D309 WeakPolarHBondContact O-CA 3.29Å; G294-G310 PolarHBondContact O-N 3.35Å; G294-G310 VanDerWaalsContact O-N 3.07Å |
| 295 | R | 91 | Very high | 84.4 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -112.2 | 109.9 | 166.9 | -63.5 | -51.4 | 180 | -175.4 | -7.4 | 110.3 | I227 W292 P293 Q297 D309 G310 | I227-R295 HydrophobicContact CG2-CB 3.72Å; W292-R295 VanDerWaalsContact CD1-CG 3.42Å; W292-R295 HydrophobicContact CG-CG 4.33Å; W292-R295 PolarHBondContact O-N 3.14Å; P293-R295 PolarHBondContact O-N 3.14Å; R295-Q297 PolarHBondContact O-N 3.32Å; R295-Q297 VanDerWaalsContact O-N 3.14Å; R295-D309 WeakPolarHBondContact CA-OD2 3.42Å; R295-G310 PolarHBondContact NH1-O 3.34Å |
| 296 | S | 90 | Very high | 86 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 8% | 0.077 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 47.1 | 42.2 | -178.6 | -53 | 0 | 0 | 0 | 0 | 112.7 | A228 L308 D309 W327 | A228-S296 WeakPolarHBondContact O-CB 3.42Å; A228-S296 PolarHBondContact O-OG 3.17Å; S296-L308 PolarHBondContact N-O 3.07Å; S296-D309 PolarHBondContact N-OD2 3.24Å; S296-W327 VanDerWaalsContact CA-CH2 3.5Å; S296-W327 VanDerWaalsContact CA-CZ2 3.44Å; S296-W327 WeakPolarHBondContact O-CZ2 3.1Å |
| 297 | Q | 91.7 | Very high | 87.4 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119.9 | -175.5 | -179.6 | 175.6 | -0.5 | 0 | 0 | 109.8 | F291 R295 V299 L308 D497 | F291-Q297 HydrophobicContact CE2-CG 4.14Å; R295-Q297 PolarHBondContact O-N 3.32Å; R295-Q297 VanDerWaalsContact O-N 3.14Å; Q297-V299 HydrophobicContact CG-CG2 4.18Å; Q297-L308 HydrophobicContact CB-CB 4.35Å; Q297-L308 PolarHBondContact N-O 2.63Å; Q297-L308 WeakPolarHBondContact O-CB 3.45Å; Q297-L308 PolarHBondContact O-N 3.11Å; Q297-D497 PolarHBondContact NE2-OD2 3.49Å |
| 298 | K | 90.8 | Very high | 88.6 | Confident | 73 Ų | 73 | 36.4 Ų | 36.4 | 32% | 0.317 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.3 | 170.4 | -173.9 | -177.8 | 178 | 179.4 | 0 | 109.4 | F306 Y307 M335 | K298-F306 CarbonylContact C-O 3.57Å; K298-F306 WeakPolarHBondContact CA-O 3.17Å; K298-Y307 HydrophobicContact CB-CD1 4.48Å; K298-Y307 HydrophobicContact CD-CE1 3.88Å; K298-Y307 WeakPolarHBondContact CE-OH 3.43Å; K298-Y307 HydrophobicContact CG-CD1 4.27Å; K298-Y307 HydrophobicContact CG-CE1 4.01Å; K298-M335 PolarHBondContact NZ-SD 3.08Å; K298-M335 VanDerWaalsContact NZ-SD 3.41Å |
| 299 | V | 91.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128.7 | 173.9 | 164.3 | 0 | 0 | 0 | 0 | 108.6 | Q297 F306 L308 L496 I504 | Q297-V299 HydrophobicContact CG-CG2 4.18Å; V299-F306 HydrophobicContact CB-CB 4.26Å; V299-F306 PolarHBondContact N-O 3.37Å; V299-F306 PolarHBondContact O-N 3.34Å; V299-L308 HydrophobicContact CG2-CD1 4.06Å; V299-L496 HydrophobicContact CB-CD1 4.38Å; V299-L496 HydrophobicContact CG1-CB 4.03Å; V299-L496 HydrophobicContact CG1-CD1 4.11Å; V299-L496 HydrophobicContact CG1-CD2 3.93Å; V299-L496 HydrophobicContact CG1-CG 4.23Å; V299-I504 HydrophobicContact CB-CD1 3.83Å; V299-I504 HydrophobicContact CG1-CB 4.46Å; V299-I504 HydrophobicContact CG1-CD1 3.08Å; V299-I504 HydrophobicContact CG1-CG1 4.37Å; V299-I504 HydrophobicContact CG2-CD1 3.51Å |
| 300 | T | 90.5 | Very high | 90.4 | Very high | 70 Ų | 70 | 25.5 Ų | 25.5 | 43% | 0.429 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.2 | 169.4 | -59 | 0 | 0 | 0 | 0 | 109.4 | I304 N305 | T300-I304 WeakPolarHBondContact CA-O 3.41Å; T300-N305 WeakPolarHBondContact CG2-OD1 3.03Å; T300-N305 PolarHBondContact OG1-OD1 3.41Å |
| 301 | S | 89.8 | Confident | 90.1 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 18% | 0.175 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 130.5 | 178.2 | -176 | 0 | 0 | 0 | 0 | 110.1 | G303 I304 | S301-G303 VanDerWaalsContact C-N 3.27Å; S301-G303 PolarHBondContact O-N 2.77Å; S301-I304 PolarHBondContact N-O 2.74Å; S301-I304 WeakPolarHBondContact O-CB 3.34Å; S301-I304 PolarHBondContact O-N 3.49Å |
| 302 | N | 85 | Confident | 89.5 | Confident | 123 Ų | 123 | 23.9 Ų | 23.9 | 66% | 0.658 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 39.9 | 179.8 | -56.7 | -53.4 | 0 | 0 | 0 | 114.1 | I304 | N302-I304 PolarHBondContact O-N 3.36Š|
| 303 | G | 85.3 | Confident | 88.5 | Confident | 60 Ų | 60 | 23.1 Ų | 23.1 | 62% | 0.619 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 3.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S301 | S301-G303 VanDerWaalsContact C-N 3.27Å; S301-G303 PolarHBondContact O-N 2.77Å |
| 304 | I | 91.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.5 | -179.8 | -49.8 | 174.2 | 0 | 0 | 0 | 109.1 | T300 S301 N302 F306 V463 K464 A467 V478 V480 | T300-I304 WeakPolarHBondContact CA-O 3.41Å; S301-I304 PolarHBondContact N-O 2.74Å; S301-I304 WeakPolarHBondContact O-CB 3.34Å; S301-I304 PolarHBondContact O-N 3.49Å; N302-I304 PolarHBondContact O-N 3.36Å; I304-F306 HydrophobicContact CB-CD2 4.31Å; I304-F306 HydrophobicContact CB-CE2 3.64Å; I304-F306 HydrophobicContact CB-CZ 4.08Å; I304-F306 HydrophobicContact CD1-CE2 4.49Å; I304-F306 HydrophobicContact CD1-CZ 4.29Å; I304-F306 HydrophobicContact CG2-CD2 4.03Å; I304-F306 HydrophobicContact CG2-CE1 4.17Å; I304-F306 HydrophobicContact CG2-CE2 3.51Å; I304-F306 HydrophobicContact CG2-CZ 3.59Å; I304-V463 HydrophobicContact CD1-CG1 3.94Å; I304-V463 HydrophobicContact CG2-CG1 4.13Å; I304-K464 HydrophobicContact CD1-CG 4.26Å; I304-A467 HydrophobicContact CD1-CB 3.46Å; I304-A467 VanDerWaalsContact CD1-CB 3.46Å; I304-A467 HydrophobicContact CG1-CB 3.52Å; I304-V478 HydrophobicContact CG2-CB 4.23Å; I304-V478 HydrophobicContact CG2-CG1 4.01Å; I304-V480 HydrophobicContact CG2-CG2 3.58Å |
| 305 | N | 92.7 | Very high | 85.9 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 110 | 174.6 | -60 | -59 | 0 | 0 | 0 | 110 | T300 Y307 M335 V478 E479 V480 | T300-N305 WeakPolarHBondContact CG2-OD1 3.03Å; T300-N305 PolarHBondContact OG1-OD1 3.41Å; N305-Y307 HydrophobicContact CB-CD2 4.36Å; N305-Y307 HydrophobicContact CB-CE2 3.58Å; N305-Y307 WeakPolarHBondContact O-CD2 3.48Å; N305-M335 WeakPolarHBondContact ND2-CE 3.23Å; N305-M335 WeakPolarHBondContact OD1-CE 3.33Å; N305-V478 PolarHBondContact N-O 3.23Å; N305-E479 HydrophobicContact CB-CG 4.42Å; N305-E479 CarbonylContact O-C 3.56Å; N305-E479 WeakPolarHBondContact O-CA 3.49Å; N305-V480 PolarHBondContact O-N 2.81Å |
| 306 | F | 94.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128 | 173.8 | -63.2 | -90.2 | 0 | 0 | 0 | 110 | K298 V299 I304 L308 Y460 V463 V480 F492 L496 | K298-F306 CarbonylContact C-O 3.57Å; K298-F306 WeakPolarHBondContact CA-O 3.17Å; V299-F306 HydrophobicContact CB-CB 4.26Å; V299-F306 PolarHBondContact N-O 3.37Å; V299-F306 PolarHBondContact O-N 3.34Å; I304-F306 HydrophobicContact CB-CD2 4.31Å; I304-F306 HydrophobicContact CB-CE2 3.64Å; I304-F306 HydrophobicContact CB-CZ 4.08Å; I304-F306 HydrophobicContact CD1-CE2 4.49Å; I304-F306 HydrophobicContact CD1-CZ 4.29Å; I304-F306 HydrophobicContact CG2-CD2 4.03Å; I304-F306 HydrophobicContact CG2-CE1 4.17Å; I304-F306 HydrophobicContact CG2-CE2 3.51Å; I304-F306 HydrophobicContact CG2-CZ 3.59Å; F306-L308 HydrophobicContact CB-CD2 4.19Å; F306-L308 HydrophobicContact CB-CG 4.36Å; F306-Y460 HydrophobicContact CE1-CD2 4.24Å; F306-Y460 HydrophobicContact CE1-CE2 4.23Å; F306-Y460 HydrophobicContact CE2-CE2 4.16Å; F306-Y460 AromaticContact CZ-CD2 3.99Å; F306-Y460 HydrophobicContact CZ-CD2 3.99Å; F306-Y460 AromaticContact CZ-CE2 3.6Å; F306-Y460 HydrophobicContact CZ-CE2 3.6Å; F306-V463 HydrophobicContact CE1-CG1 4.07Å; F306-V463 HydrophobicContact CZ-CG1 4.04Å; F306-V480 CarbonylContact C-O 3.07Å; F306-V480 WeakPolarHBondContact CA-O 3.36Å; F306-V480 HydrophobicContact CD1-CB 3.74Å; F306-V480 HydrophobicContact CD1-CG1 3.96Å; F306-V480 HydrophobicContact CD1-CG2 4.14Å; F306-V480 HydrophobicContact CE1-CB 4.06Å; F306-V480 HydrophobicContact CE1-CG1 4.13Å; F306-V480 HydrophobicContact CE1-CG2 4Å; F306-V480 HydrophobicContact CG-CB 4.47Å; F306-F492 HydrophobicContact CD1-CD1 4.06Å; F306-F492 HydrophobicContact CD1-CE1 4.21Å; F306-F492 HydrophobicContact CE1-CD1 4.05Å; F306-F492 AromaticContact CE1-CE1 3.89Å; F306-F492 HydrophobicContact CE1-CE1 3.89Å; F306-L496 HydrophobicContact CB-CD1 3.82Å; F306-L496 HydrophobicContact CD1-CD1 3.99Å; F306-L496 HydrophobicContact CD2-CD1 3.86Å; F306-L496 HydrophobicContact CD2-CD2 3.81Å; F306-L496 HydrophobicContact CE2-CD1 4.43Å; F306-L496 HydrophobicContact CE2-CD2 3.8Å; F306-L496 HydrophobicContact CG-CD1 3.61Å; F306-L496 HydrophobicContact CG-CD2 4.41Å; F306-L496 HydrophobicContact CZ-CD2 4.42Å |
| 307 | Y | 94.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 109.6 | 176.4 | -64.1 | -98.6 | 0 | 0 | 0 | 107.3 | K298 N305 W327 F328 A331 E479 V480 L481 V482 | K298-Y307 HydrophobicContact CB-CD1 4.48Å; K298-Y307 HydrophobicContact CD-CE1 3.88Å; K298-Y307 WeakPolarHBondContact CE-OH 3.43Å; K298-Y307 HydrophobicContact CG-CD1 4.27Å; K298-Y307 HydrophobicContact CG-CE1 4.01Å; N305-Y307 HydrophobicContact CB-CD2 4.36Å; N305-Y307 HydrophobicContact CB-CE2 3.58Å; N305-Y307 WeakPolarHBondContact O-CD2 3.48Å; Y307-W327 AromaticContact CD1-CH2 3.94Å; Y307-W327 HydrophobicContact CD1-CH2 3.94Å; Y307-W327 HydrophobicContact CD1-CZ2 4.01Å; Y307-W327 HydrophobicContact CG-CH2 4.33Å; Y307-F328 AromaticContact CD1-CD2 3.68Å; Y307-F328 HydrophobicContact CD1-CD2 3.68Å; Y307-F328 HydrophobicContact CD1-CE2 4.25Å; Y307-F328 AromaticContact CD2-CD2 3.61Å; Y307-F328 HydrophobicContact CD2-CD2 3.61Å; Y307-F328 AromaticContact CD2-CE2 3.34Å; Y307-F328 HydrophobicContact CD2-CE2 3.34Å; Y307-F328 HydrophobicContact CE1-CD2 4.17Å; Y307-F328 HydrophobicContact CE2-CD2 4.11Å; Y307-F328 AromaticContact CE2-CE2 3.69Å; Y307-F328 HydrophobicContact CE2-CE2 3.69Å; Y307-F328 AromaticContact CG-CD2 3.36Å; Y307-F328 HydrophobicContact CG-CD2 3.36Å; Y307-F328 AromaticContact CG-CE2 3.64Å; Y307-F328 HydrophobicContact CG-CE2 3.64Å; Y307-A331 HydrophobicContact CD1-CB 4.27Å; Y307-A331 HydrophobicContact CE1-CB 3.62Å; Y307-A331 PolarHBondContact OH-O 3.35Å; Y307-E479 HydrophobicContact CE2-CB 4.12Å; Y307-E479 HydrophobicContact CE2-CG 4.14Å; Y307-V480 PolarHBondContact N-O 2.9Å; Y307-L481 WeakPolarHBondContact O-CA 3.5Å; Y307-V482 PolarHBondContact O-N 2.61Å |
| 308 | L | 94.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.8 | -167.4 | -53.8 | 174.1 | 0 | 0 | 0 | 109.2 | S296 Q297 V299 F306 V482 V489 F492 L493 L496 | S296-L308 PolarHBondContact N-O 3.07Å; Q297-L308 HydrophobicContact CB-CB 4.35Å; Q297-L308 PolarHBondContact N-O 2.63Å; Q297-L308 WeakPolarHBondContact O-CB 3.45Å; Q297-L308 PolarHBondContact O-N 3.11Å; V299-L308 HydrophobicContact CG2-CD1 4.06Å; F306-L308 HydrophobicContact CB-CD2 4.19Å; F306-L308 HydrophobicContact CB-CG 4.36Å; L308-V482 HydrophobicContact CD2-CB 3.59Å; L308-V482 HydrophobicContact CD2-CG1 4.35Å; L308-V482 HydrophobicContact CD2-CG2 3.54Å; L308-V489 HydrophobicContact CB-CG1 3.98Å; L308-F492 HydrophobicContact CD2-CB 4.1Å; L308-L493 HydrophobicContact CD1-CD2 3.41Å; L308-L493 VanDerWaalsContact CD1-CD2 3.41Å; L308-L493 HydrophobicContact CD1-CG 3.9Å; L308-L496 HydrophobicContact CD1-CD1 4.14Å |
| 309 | D | 92.5 | Very high | 78.4 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 122.5 | 172.5 | -173.3 | -104.4 | 0 | 0 | 0 | 112.1 | G294 R295 S296 A311 W327 V482 T483 | G294-D309 WeakPolarHBondContact O-CA 3.29Å; R295-D309 WeakPolarHBondContact CA-OD2 3.42Å; S296-D309 PolarHBondContact N-OD2 3.24Å; D309-A311 PolarHBondContact O-N 3.05Å; D309-A311 WeakPolarHBondContact OD1-CB 3.17Å; D309-A311 PolarHBondContact OD1-N 2.92Å; D309-A311 VanDerWaalsContact OD1-N 3.1Å; D309-W327 HydrophobicContact CB-CE3 4.36Å; D309-W327 HydrophobicContact CB-CZ3 3.99Å; D309-V482 PolarHBondContact N-O 3.27Å; D309-V482 VanDerWaalsContact N-O 3.13Å; D309-T483 VanDerWaalsContact O-CA 3.29Å; D309-T483 WeakPolarHBondContact O-CA 3.2Å; D309-T483 WeakPolarHBondContact O-CB 3.42Å; D309-T483 PolarHBondContact O-OG1 2.97Å |
| 310 | G | 85.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -75.1 | 43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G294 R295 H312 | G294-G310 PolarHBondContact O-N 3.35Å; G294-G310 VanDerWaalsContact O-N 3.07Å; R295-G310 PolarHBondContact NH1-O 3.34Å; G310-H312 PolarHBondContact O-N 2.81Å; G310-H312 PolarHBondContact O-ND1 3.1Å | ||
| 311 | A | 81.7 | Confident | 73.6 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | trans | -64.8 | 112.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D309 V317 C324 G484 | D309-A311 PolarHBondContact O-N 3.05Å; D309-A311 WeakPolarHBondContact OD1-CB 3.17Å; D309-A311 PolarHBondContact OD1-N 2.92Å; D309-A311 VanDerWaalsContact OD1-N 3.1Å; A311-V317 HydrophobicContact CB-CG2 4.29Å; A311-C324 HydrophobicContact CB-CB 3.72Å; A311-G484 WeakPolarHBondContact O-CA 3.46Å; A311-G484 PolarHBondContact O-N 3.43Å; A311-G484 VanDerWaalsContact O-N 3.16Å | ||
| 312 | H | 73.4 | Confident | 72.2 | Confident | 36 Ų | 36 | 35.7 Ų | 35.7 | 17% | 0.167 | 19% | 0.192 | C | C | . | . | trans | -138.4 | 12.9 | -169.2 | 65.2 | -95.2 | 0 | 0 | 0 | 114.3 | G310 S316 R351 G484 | G310-H312 PolarHBondContact O-N 2.81Å; G310-H312 PolarHBondContact O-ND1 3.1Å; H312-S316 PolarHBondContact N-OG 2.98Å; H312-R351 VanDerWaalsContact CD2-CZ 3.42Å; H312-R351 PolarHBondContact CD2-NH2 2.88Å; H312-R351 VanDerWaalsContact CD2-NH2 3.29Å; H312-R351 WeakPolarHBondContact O-CD 3.29Å; H312-R351 PolarHBondContact O-NE 3.42Å; H312-G484 WeakPolarHBondContact CB-O 3.43Å | ||
| 313 | T | 71.2 | Confident | 71.6 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -122.5 | 162.3 | 166.4 | 85.8 | 0 | 0 | 0 | 0 | 110.3 | K47 D155 L315 S316 V317 | K47-T313 VanDerWaalsContact CE-CG2 3.42Å; K47-T313 WeakPolarHBondContact CE-OG1 3.43Å; K47-T313 PolarHBondContact NZ-OG1 2.81Å; D155-T313 HydrophobicContact CB-CG2 4.37Å; T313-L315 PolarHBondContact O-N 3.03Å; T313-L315 PolarHBondContact OG1-N 2.98Å; T313-S316 PolarHBondContact N-OG 3.26Å; T313-S316 PolarHBondContact O-N 3.24Å; T313-S316 VanDerWaalsContact O-N 3.11Å; T313-S316 PolarHBondContact O-OG 2.96Å; T313-V317 PolarHBondContact O-N 3.02Å |
| 314 | P | 61.3 | Low | 71.5 | Confident | 33 Ų | 33 | 28.1 Ų | 28.1 | 21% | 0.214 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -38.3 | -64.3 | 165.3 | -36.7 | 42.2 | 0 | 0 | 0 | 112.9 | S316 V317 Q318 | P314-S316 VanDerWaalsContact C-N 3.28Å; P314-S316 PolarHBondContact O-N 2.68Å; P314-V317 CarbonylContact O-C 3.55Å; P314-V317 WeakPolarHBondContact O-CA 3.48Å; P314-V317 PolarHBondContact O-N 3.21Å; P314-Q318 HydrophobicContact CB-CG 4.07Å; P314-Q318 WeakPolarHBondContact O-CA 3.14Å; P314-Q318 VanDerWaalsContact O-CB 3.25Å; P314-Q318 WeakPolarHBondContact O-CB 3.18Å; P314-Q318 PolarHBondContact O-N 3.41Å |
| 315 | L | 63.5 | Low | 71 | Confident | 47 Ų | 47 | 28.1 Ų | 28.1 | 25% | 0.246 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.5 | -27.4 | -177.1 | -72.8 | -173.9 | 0 | 0 | 0 | 116.5 | D153 T313 V317 V319 | D153-L315 HydrophobicContact CB-CD1 3.58Å; D153-L315 HydrophobicContact CB-CG 4.36Å; D153-L315 WeakPolarHBondContact OD1-CD1 3.47Å; D153-L315 VanDerWaalsContact OD2-CB 3.27Å; D153-L315 WeakPolarHBondContact OD2-CB 3.47Å; D153-L315 WeakPolarHBondContact OD2-CD1 3.33Å; D153-L315 WeakPolarHBondContact OD2-CG 3.25Å; T313-L315 PolarHBondContact O-N 3.03Å; T313-L315 PolarHBondContact OG1-N 2.98Å; L315-V317 PolarHBondContact O-N 3.26Å; L315-V319 HydrophobicContact CB-CG2 4.31Å; L315-V319 HydrophobicContact CD2-CG2 3.65Å; L315-V319 WeakPolarHBondContact O-CG2 3.33Å |
| 316 | S | 58.2 | Low | 70.4 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.9 | -15.2 | 174.3 | 43.5 | 0 | 0 | 0 | 0 | 113.3 | K47 H312 T313 P314 S322 C323 | K47-S316 PolarHBondContact NZ-OG 3.06Å; H312-S316 PolarHBondContact N-OG 2.98Å; T313-S316 PolarHBondContact N-OG 3.26Å; T313-S316 PolarHBondContact O-N 3.24Å; T313-S316 VanDerWaalsContact O-N 3.11Å; T313-S316 PolarHBondContact O-OG 2.96Å; P314-S316 VanDerWaalsContact C-N 3.28Å; P314-S316 PolarHBondContact O-N 2.68Å; S316-S322 PolarHBondContact O-OG 2.99Å; S316-C323 PolarHBondContact O-N 3.08Å |
| 317 | V | 54.8 | Low | 69.9 | Low | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -120.4 | -49 | -178 | -161.9 | 0 | 0 | 0 | 0 | 111.4 | A311 T313 P314 L315 S322 L356 P359 L360 | A311-V317 HydrophobicContact CB-CG2 4.29Å; T313-V317 PolarHBondContact O-N 3.02Å; P314-V317 CarbonylContact O-C 3.55Å; P314-V317 WeakPolarHBondContact O-CA 3.48Å; P314-V317 PolarHBondContact O-N 3.21Å; L315-V317 PolarHBondContact O-N 3.26Å; V317-S322 WeakPolarHBondContact CA-OG 3.38Å; V317-S322 VanDerWaalsContact O-CA 3.27Å; V317-S322 WeakPolarHBondContact O-CA 3.4Å; V317-S322 WeakPolarHBondContact O-CB 3.18Å; V317-S322 PolarHBondContact O-OG 3.07Å; V317-L356 WeakPolarHBondContact CG1-O 3.36Å; V317-L356 HydrophobicContact CG2-CD2 4.32Å; V317-P359 HydrophobicContact CB-CB 4.16Å; V317-P359 HydrophobicContact CB-CG 4.14Å; V317-P359 HydrophobicContact CG1-CB 3.52Å; V317-P359 HydrophobicContact CG1-CG 3.76Å; V317-P359 WeakPolarHBondContact O-CB 3.41Å; V317-L360 HydrophobicContact CG1-CD2 3.6Å; V317-L360 HydrophobicContact CG1-CG 3.8Å |
| 318 | Q | 47.6 | Very low | 69.6 | Low | 100 Ų | 100 | 31.3 Ų | 31.3 | 47% | 0.467 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -73.7 | -21 | -173.2 | -73.3 | -171.5 | -9.1 | 0 | 0 | 118.5 | P314 W320 Q355 P359 | P314-Q318 HydrophobicContact CB-CG 4.07Å; P314-Q318 WeakPolarHBondContact O-CA 3.14Å; P314-Q318 VanDerWaalsContact O-CB 3.25Å; P314-Q318 WeakPolarHBondContact O-CB 3.18Å; P314-Q318 PolarHBondContact O-N 3.41Å; Q318-W320 PolarHBondContact O-N 3.45Å; Q318-Q355 PolarHBondContact NE2-O 3.16Å; Q318-P359 HydrophobicContact CB-CG 4.06Å; Q318-P359 HydrophobicContact CG-CG 3.45Å; Q318-P359 VanDerWaalsContact CG-CG 3.45Å |
| 319 | V | 45.2 | Very low | 69 | Low | 65 Ų | 65 | 32 Ų | 32 | 39% | 0.394 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -55.5 | 143.3 | 177.1 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | L315 N321 S322 | L315-V319 HydrophobicContact CB-CG2 4.31Å; L315-V319 HydrophobicContact CD2-CG2 3.65Å; L315-V319 WeakPolarHBondContact O-CG2 3.33Å; V319-N321 CarbonylContact O-C 3.56Å; V319-N321 VanDerWaalsContact O-CA 3.31Å; V319-N321 WeakPolarHBondContact O-CA 3.38Å; V319-N321 PolarHBondContact O-N 3.09Å; V319-S322 PolarHBondContact O-N 3.49Å |
| 320 | W | 37.1 | Very low | 68.4 | Low | 192 Ų | 192 | 35 Ų | 35 | 73% | 0.727 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -49 | -6.3 | 176.4 | -179.5 | -93.6 | 0 | 0 | 0 | 114.1 | Q318 | Q318-W320 PolarHBondContact O-N 3.45Š|
| 321 | N | 44.4 | Very low | 68.1 | Low | 60 Ų | 60 | 35.8 Ų | 35.8 | 32% | 0.321 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -133 | 102.7 | 151.1 | -64.7 | -66.2 | 0 | 0 | 0 | 109 | V319 C323 E326 | V319-N321 CarbonylContact O-C 3.56Å; V319-N321 VanDerWaalsContact O-CA 3.31Å; V319-N321 WeakPolarHBondContact O-CA 3.38Å; V319-N321 PolarHBondContact O-N 3.09Å; N321-C323 PolarHBondContact O-N 3.35Å; N321-E326 WeakPolarHBondContact CB-OE2 3.18Å |
| 322 | S | 60.7 | Low | 68 | Low | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -51.7 | 115.9 | 172.1 | 172.6 | 0 | 0 | 0 | 0 | 108.8 | S316 V317 V319 C324 V325 E326 C363 | S316-S322 PolarHBondContact O-OG 2.99Å; V317-S322 WeakPolarHBondContact CA-OG 3.38Å; V317-S322 VanDerWaalsContact O-CA 3.27Å; V317-S322 WeakPolarHBondContact O-CA 3.4Å; V317-S322 WeakPolarHBondContact O-CB 3.18Å; V317-S322 PolarHBondContact O-OG 3.07Å; V319-S322 PolarHBondContact O-N 3.49Å; S322-C324 PolarHBondContact O-N 3.32Å; S322-C324 VanDerWaalsContact O-N 3.12Å; S322-V325 PolarHBondContact O-N 2.93Å; S322-V325 VanDerWaalsContact O-N 3.11Å; S322-V325 PolarHBondContact OG-N 2.95Å; S322-E326 VanDerWaalsContact O-CB 3.25Å; S322-E326 WeakPolarHBondContact O-CB 3.46Å; S322-E326 PolarHBondContact O-N 2.9Å; S322-C363 WeakPolarHBondContact CB-SG 3.25Å; S322-C363 PolarHBondContact N-SG 3.27Å; S322-C363 VanDerWaalsContact N-SG 3.39Å | ||
| 323 | C | 73.7 | Confident | 67.7 | Low | 24 Ų | 24 | 38.4 Ų | 38.4 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.1 | -33.4 | -176.6 | -73.6 | 0 | 0 | 0 | 0 | 113.2 | H231 S316 N321 W327 | H231-C323 HydrophobicContact CB-CB 4.33Å; H231-C323 VanDerWaalsContact CB-SG 3.56Å; H231-C323 VanDerWaalsContact ND1-CB 3.34Å; H231-C323 WeakPolarHBondContact ND1-CB 3.45Å; S316-C323 PolarHBondContact O-N 3.08Å; N321-C323 PolarHBondContact O-N 3.35Å; C323-W327 VanDerWaalsContact O-CB 3.31Å; C323-W327 WeakPolarHBondContact O-CB 3.37Å; C323-W327 PolarHBondContact O-N 3.28Å |
| 324 | C | 83.1 | Confident | 67.2 | Low | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.9 | -45.9 | 177 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | A311 S322 F328 | A311-C324 HydrophobicContact CB-CB 3.72Å; S322-C324 PolarHBondContact O-N 3.32Å; S322-C324 VanDerWaalsContact O-N 3.12Å; C324-F328 WeakPolarHBondContact O-CB 3.42Å; C324-F328 PolarHBondContact O-N 3.31Å |
| 325 | V | 80.6 | Confident | 67 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75 | -39.1 | -178.2 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | S322 W327 F328 L329 L360 C363 | S322-V325 PolarHBondContact O-N 2.93Å; S322-V325 VanDerWaalsContact O-N 3.11Å; S322-V325 PolarHBondContact OG-N 2.95Å; V325-W327 VanDerWaalsContact C-N 3.31Å; V325-W327 PolarHBondContact O-N 3.09Å; V325-F328 PolarHBondContact O-N 2.92Å; V325-L329 HydrophobicContact CG1-CD1 3.68Å; V325-L329 HydrophobicContact CG1-CG 3.94Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.12Å; V325-L329 WeakPolarHBondContact O-CG 3.34Å; V325-L329 PolarHBondContact O-N 2.62Å; V325-L360 HydrophobicContact CG2-CD2 3.46Å; V325-L360 VanDerWaalsContact CG2-CD2 3.46Å; V325-C363 HydrophobicContact CB-CB 4.11Å; V325-C363 HydrophobicContact CG1-CB 3.7Å |
| 326 | E | 80.6 | Confident | 66.7 | Low | 54 Ų | 54 | 53.1 Ų | 53.1 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.9 | -46.9 | 173.2 | -175.7 | -174.6 | 176 | 0 | 0 | 110.5 | N321 S322 S330 | N321-E326 WeakPolarHBondContact CB-OE2 3.18Å; S322-E326 VanDerWaalsContact O-CB 3.25Å; S322-E326 WeakPolarHBondContact O-CB 3.46Å; S322-E326 PolarHBondContact O-N 2.9Å; E326-S330 VanDerWaalsContact O-CB 3.31Å; E326-S330 WeakPolarHBondContact O-CB 3.29Å; E326-S330 PolarHBondContact O-N 2.81Å |
| 327 | W | 84.7 | Confident | 66.9 | Low | 18 Ų | 18 | 62.2 Ų | 62.2 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 173.6 | 164.3 | 65.5 | 0 | 0 | 0 | 112 | A228 S296 Y307 D309 C323 V325 L329 S330 A331 | A228-W327 VanDerWaalsContact CB-CD1 3.43Å; S296-W327 VanDerWaalsContact CA-CH2 3.5Å; S296-W327 VanDerWaalsContact CA-CZ2 3.44Å; S296-W327 WeakPolarHBondContact O-CZ2 3.1Å; Y307-W327 AromaticContact CD1-CH2 3.94Å; Y307-W327 HydrophobicContact CD1-CH2 3.94Å; Y307-W327 HydrophobicContact CD1-CZ2 4.01Å; Y307-W327 HydrophobicContact CG-CH2 4.33Å; D309-W327 HydrophobicContact CB-CE3 4.36Å; D309-W327 HydrophobicContact CB-CZ3 3.99Å; C323-W327 VanDerWaalsContact O-CB 3.31Å; C323-W327 WeakPolarHBondContact O-CB 3.37Å; C323-W327 PolarHBondContact O-N 3.28Å; V325-W327 VanDerWaalsContact C-N 3.31Å; V325-W327 PolarHBondContact O-N 3.09Å; W327-L329 PolarHBondContact O-N 3.18Å; W327-S330 PolarHBondContact O-N 3.34Å; W327-A331 VanDerWaalsContact O-CB 3.29Å; W327-A331 WeakPolarHBondContact O-CB 3.45Å; W327-A331 PolarHBondContact O-N 2.87Å |
| 328 | F | 87.2 | Confident | 68 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 179.4 | 171.2 | -127.2 | 0 | 0 | 0 | 111.8 | Y307 C324 V325 A331 S332 W364 F379 E479 L481 | Y307-F328 AromaticContact CD1-CD2 3.68Å; Y307-F328 HydrophobicContact CD1-CD2 3.68Å; Y307-F328 HydrophobicContact CD1-CE2 4.25Å; Y307-F328 AromaticContact CD2-CD2 3.61Å; Y307-F328 HydrophobicContact CD2-CD2 3.61Å; Y307-F328 AromaticContact CD2-CE2 3.34Å; Y307-F328 HydrophobicContact CD2-CE2 3.34Å; Y307-F328 HydrophobicContact CE1-CD2 4.17Å; Y307-F328 HydrophobicContact CE2-CD2 4.11Å; Y307-F328 AromaticContact CE2-CE2 3.69Å; Y307-F328 HydrophobicContact CE2-CE2 3.69Å; Y307-F328 AromaticContact CG-CD2 3.36Å; Y307-F328 HydrophobicContact CG-CD2 3.36Å; Y307-F328 AromaticContact CG-CE2 3.64Å; Y307-F328 HydrophobicContact CG-CE2 3.64Å; C324-F328 WeakPolarHBondContact O-CB 3.42Å; C324-F328 PolarHBondContact O-N 3.31Å; V325-F328 PolarHBondContact O-N 2.92Å; F328-A331 PolarHBondContact O-N 3.34Å; F328-S332 WeakPolarHBondContact O-CB 3.43Å; F328-S332 PolarHBondContact O-N 3.06Å; F328-W364 HydrophobicContact CD1-CH2 4.3Å; F328-W364 HydrophobicContact CD1-CZ2 4.05Å; F328-W364 AromaticContact CE1-CH2 3.79Å; F328-W364 HydrophobicContact CE1-CH2 3.79Å; F328-W364 AromaticContact CE1-CZ2 3.69Å; F328-W364 HydrophobicContact CE1-CZ2 3.69Å; F328-F379 AromaticContact CE1-CE1 3.92Å; F328-F379 HydrophobicContact CE1-CE1 3.92Å; F328-F379 HydrophobicContact CE1-CZ 4.31Å; F328-E479 HydrophobicContact CE2-CB 4.24Å; F328-E479 HydrophobicContact CZ-CB 4.22Å; F328-L481 HydrophobicContact CB-CD1 4.18Å; F328-L481 HydrophobicContact CD1-CB 4.27Å; F328-L481 HydrophobicContact CD1-CD2 3.97Å; F328-L481 HydrophobicContact CD1-CG 4.5Å; F328-L481 HydrophobicContact CD2-CD1 4.44Å; F328-L481 HydrophobicContact CE1-CB 4.15Å; F328-L481 HydrophobicContact CE1-CD2 4.45Å; F328-L481 HydrophobicContact CE2-CB 4.41Å; F328-L481 HydrophobicContact CG-CB 4.45Å; F328-L481 HydrophobicContact CG-CD1 4.14Å; F328-L481 HydrophobicContact CG-CD2 4.36Å; F328-L481 HydrophobicContact CZ-CB 4.23Å |
| 329 | L | 81.6 | Confident | 69.7 | Low | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 179.5 | -72.4 | 174.1 | 0 | 0 | 0 | 111.9 | V325 W327 A331 S332 S333 W364 I367 | V325-L329 HydrophobicContact CG1-CD1 3.68Å; V325-L329 HydrophobicContact CG1-CG 3.94Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.12Å; V325-L329 WeakPolarHBondContact O-CG 3.34Å; V325-L329 PolarHBondContact O-N 2.62Å; W327-L329 PolarHBondContact O-N 3.18Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 2.9Å; L329-S332 PolarHBondContact O-N 3.38Å; L329-S333 WeakPolarHBondContact O-CB 3.44Å; L329-S333 PolarHBondContact O-N 2.99Å; L329-W364 HydrophobicContact CD2-CD2 4.17Å; L329-W364 HydrophobicContact CD2-CE3 3.64Å; L329-W364 HydrophobicContact CD2-CH2 3.19Å; L329-W364 HydrophobicContact CD2-CZ2 3.81Å; L329-W364 HydrophobicContact CD2-CZ3 3.11Å; L329-W364 HydrophobicContact CG-CH2 4.33Å; L329-W364 HydrophobicContact CG-CZ3 4.46Å; L329-I367 HydrophobicContact CD1-CB 4.1Å; L329-I367 HydrophobicContact CD1-CD1 3.39Å; L329-I367 HydrophobicContact CD1-CG1 4.3Å; L329-I367 HydrophobicContact CD1-CG2 4.03Å |
| 330 | S | 80.5 | Confident | 71.7 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.8 | -48.6 | 176 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | E326 W327 S332 S333 | E326-S330 VanDerWaalsContact O-CB 3.31Å; E326-S330 WeakPolarHBondContact O-CB 3.29Å; E326-S330 PolarHBondContact O-N 2.81Å; W327-S330 PolarHBondContact O-N 3.34Å; S330-S332 VanDerWaalsContact C-N 3.33Å; S330-S332 PolarHBondContact O-N 3.09Å; S330-S333 PolarHBondContact O-N 3.06Å; S330-S333 PolarHBondContact O-OG 3.1Å |
| 331 | A | 80.1 | Confident | 74.3 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.3 | -12.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y307 W327 F328 L329 | Y307-A331 HydrophobicContact CD1-CB 4.27Å; Y307-A331 HydrophobicContact CE1-CB 3.62Å; Y307-A331 PolarHBondContact OH-O 3.35Å; W327-A331 VanDerWaalsContact O-CB 3.29Å; W327-A331 WeakPolarHBondContact O-CB 3.45Å; W327-A331 PolarHBondContact O-N 2.87Å; F328-A331 PolarHBondContact O-N 3.34Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 2.9Å |
| 332 | S | 77.9 | Confident | 76.7 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -85.7 | -40.5 | 172.2 | 162.2 | 0 | 0 | 0 | 0 | 111.5 | F328 L329 S330 E334 M335 R341 E479 | F328-S332 WeakPolarHBondContact O-CB 3.43Å; F328-S332 PolarHBondContact O-N 3.06Å; L329-S332 PolarHBondContact O-N 3.38Å; S330-S332 VanDerWaalsContact C-N 3.33Å; S330-S332 PolarHBondContact O-N 3.09Å; S332-E334 PolarHBondContact O-N 3.48Å; S332-M335 PolarHBondContact O-N 3.07Å; S332-R341 PolarHBondContact OG-NH2 2.9Å; S332-E479 WeakPolarHBondContact CB-OE1 2.88Å; S332-E479 WeakPolarHBondContact CB-OE2 3.25Å; S332-E479 PolarHBondContact OG-OE1 2.83Å; S332-E479 PolarHBondContact OG-OE2 2.84Å |
| 333 | S | 67.9 | Low | 78.3 | Confident | 92 Ų | 92 | 49.3 Ų | 49.3 | 64% | 0.643 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.9 | -19.1 | -173.8 | 70.4 | 0 | 0 | 0 | 0 | 114.9 | L329 S330 M335 | L329-S333 WeakPolarHBondContact O-CB 3.44Å; L329-S333 PolarHBondContact O-N 2.99Å; S330-S333 PolarHBondContact O-N 3.06Å; S330-S333 PolarHBondContact O-OG 3.1Å; S333-M335 PolarHBondContact O-N 3.25Å |
| 334 | E | 60.5 | Low | 79.4 | Confident | 152 Ų | 152 | 48.2 Ų | 48.2 | 71% | 0.71 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.6 | -178.7 | -64.9 | 174.8 | 178.5 | 0 | 0 | 113.9 | S332 | S332-E334 PolarHBondContact O-N 3.48Š|
| 335 | M | 56.3 | Low | 80 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -109.3 | -27.4 | -154.7 | -67.4 | -101.2 | -70.1 | 0 | 0 | 117.8 | K298 N305 S332 S333 | K298-M335 PolarHBondContact NZ-SD 3.08Å; K298-M335 VanDerWaalsContact NZ-SD 3.41Å; N305-M335 WeakPolarHBondContact ND2-CE 3.23Å; N305-M335 WeakPolarHBondContact OD1-CE 3.33Å; S332-M335 PolarHBondContact O-N 3.07Å; S333-M335 PolarHBondContact O-N 3.25Å |
| 336 | R | 57.7 | Low | 80.6 | Confident | 166 Ų | 166 | 48.5 Ų | 48.5 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | trans | 179.3 | 156.8 | 175.6 | -102.5 | 156 | -161.4 | -168 | 5.8 | 111.8 | N338 | R336-N338 PolarHBondContact O-N 3.4Š| ||
| 337 | K | 63.6 | Low | 80.9 | Confident | 206 Ų | 206 | 46 Ų | 46 | 90% | 0.896 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -76.3 | 113.3 | 172.8 | -66.3 | -175.1 | -178.5 | 179.7 | 0 | 109.6 | ||
| 338 | N | 76.6 | Confident | 80.6 | Confident | 90 Ų | 90 | 47 Ų | 47 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 78.4 | 63.6 | 171.1 | -160 | 28 | 0 | 0 | 0 | 117.6 | R336 R476 | R336-N338 PolarHBondContact O-N 3.4Å; N338-R476 VanDerWaalsContact O-CD 3.28Å; N338-R476 WeakPolarHBondContact O-CD 3.4Å; N338-R476 VanDerWaalsContact O-CG 3.31Å; N338-R476 WeakPolarHBondContact O-CG 3.41Å |
| 339 | P | 83.3 | Confident | 79.8 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | trans | -67.7 | 156 | 174.6 | 30 | -35.7 | 0 | 0 | 0 | 113.2 | R341 S477 E479 | P339-R341 HydrophobicContact CG-CG 4.16Å; P339-S477 CarbonylContact C-O 3.42Å; P339-S477 WeakPolarHBondContact CA-O 3.36Å; P339-S477 WeakPolarHBondContact CB-O 3.17Å; P339-E479 HydrophobicContact CB-CG 3.85Å; P339-E479 HydrophobicContact CG-CG 4.41Å; P339-E479 WeakPolarHBondContact CG-OE2 3.33Å | ||
| 340 | V | 88.3 | Confident | 79.2 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.6 | 163.5 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | Q380 Y381 I466 V470 R476 S477 V478 E479 | V340-Q380 HydrophobicContact CG1-CB 4.35Å; V340-Y381 HydrophobicContact CG1-CD2 4.29Å; V340-Y381 HydrophobicContact CG1-CE2 4.21Å; V340-I466 HydrophobicContact CG1-CG2 4.26Å; V340-V470 HydrophobicContact CB-CG2 4.3Å; V340-V470 HydrophobicContact CG2-CG1 4.33Å; V340-V470 HydrophobicContact CG2-CG2 3.73Å; V340-R476 HydrophobicContact CG2-CB 4.36Å; V340-S477 PolarHBondContact N-O 3.06Å; V340-V478 HydrophobicContact CB-CG2 4.48Å; V340-V478 WeakPolarHBondContact O-CA 3.12Å; V340-E479 PolarHBondContact O-N 2.93Å |
| 341 | R | 90.4 | Very high | 79.1 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.8 | -176.3 | -60.4 | -166.8 | 178.9 | 111.1 | -4 | 112.1 | S332 P339 W364 F379 Q380 Y381 E479 | S332-R341 PolarHBondContact OG-NH2 2.9Å; P339-R341 HydrophobicContact CG-CG 4.16Å; R341-W364 VanDerWaalsContact CZ-CZ3 3.5Å; R341-W364 VanDerWaalsContact NH1-CZ3 3.27Å; R341-F379 HydrophobicContact CB-CD1 4Å; R341-Q380 PolarHBondContact O-N 3.06Å; R341-Q380 PolarHBondContact O-OE1 3.24Å; R341-Y381 PolarHBondContact O-N 3.34Å; R341-E479 CarbonylContact C-O 3.59Å; R341-E479 WeakPolarHBondContact CA-O 3.45Å; R341-E479 HydrophobicContact CG-CB 4.43Å; R341-E479 IonicContact NE-OE2 3.27Å; R341-E479 PolarHBondContact NE-OE2 2.87Å |
| 342 | I | 94.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.3 | -178.5 | -52.8 | -177.3 | 0 | 0 | 0 | 108 | V344 Y381 L383 V463 I466 V478 E479 V480 L481 | I342-V344 HydrophobicContact CG2-CG2 4.24Å; I342-Y381 CarbonylContact C-O 3.55Å; I342-Y381 WeakPolarHBondContact CA-O 3.29Å; I342-Y381 HydrophobicContact CG1-CD2 4.17Å; I342-L383 HydrophobicContact CG2-CD1 3.54Å; I342-L383 HydrophobicContact CG2-CG 3.84Å; I342-V463 HydrophobicContact CD1-CG1 4.39Å; I342-V463 HydrophobicContact CD1-CG2 4.08Å; I342-V463 HydrophobicContact CG2-CG2 4.31Å; I342-I466 HydrophobicContact CD1-CB 4.39Å; I342-I466 HydrophobicContact CD1-CD1 3.73Å; I342-I466 HydrophobicContact CD1-CG2 4.15Å; I342-V478 HydrophobicContact CD1-CG1 3.81Å; I342-V478 HydrophobicContact CG1-CG1 4.37Å; I342-E479 PolarHBondContact N-O 2.75Å; I342-V480 HydrophobicContact CB-CG1 4.34Å; I342-V480 HydrophobicContact CB-CG2 4.24Å; I342-V480 HydrophobicContact CD1-CG2 4.3Å; I342-V480 HydrophobicContact CG2-CG1 4.39Å; I342-V480 CarbonylContact O-C 3.57Å; I342-V480 WeakPolarHBondContact O-CA 3.34Å; I342-L481 PolarHBondContact O-N 2.75Å |
| 343 | L | 95.4 | Very high | 79.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.9 | 166.6 | 174.3 | 63.3 | 0 | 0 | 0 | 108.8 | F345 L357 L360 F379 Y381 L383 W438 L481 T483 | L343-F345 HydrophobicContact CD1-CB 4.36Å; L343-F345 HydrophobicContact CD2-CB 4.45Å; L343-F345 HydrophobicContact CG-CB 4.24Å; L343-L357 HydrophobicContact CD2-CD2 4.48Å; L343-L360 HydrophobicContact CD1-CD1 3.98Å; L343-L360 HydrophobicContact CD2-CD1 4.01Å; L343-F379 HydrophobicContact CB-CB 4.39Å; L343-F379 HydrophobicContact CB-CD1 3.69Å; L343-F379 HydrophobicContact CB-CD2 4.08Å; L343-F379 HydrophobicContact CB-CE1 3.88Å; L343-F379 HydrophobicContact CB-CE2 4.26Å; L343-F379 HydrophobicContact CB-CG 3.79Å; L343-F379 HydrophobicContact CB-CZ 4.17Å; L343-F379 HydrophobicContact CD1-CZ 4.32Å; L343-F379 HydrophobicContact CD2-CD2 4.47Å; L343-F379 HydrophobicContact CD2-CE2 4.41Å; L343-Y381 PolarHBondContact N-O 2.95Å; L343-L383 PolarHBondContact O-N 3.39Å; L343-W438 HydrophobicContact CD2-CE3 4.08Å; L343-W438 HydrophobicContact CD2-CH2 3.61Å; L343-W438 HydrophobicContact CD2-CZ2 4.31Å; L343-W438 HydrophobicContact CD2-CZ3 3.48Å; L343-W438 VanDerWaalsContact CD2-CZ3 3.48Å; L343-L481 HydrophobicContact CD1-CD2 4.21Å; L343-L481 HydrophobicContact CD1-CG 4.35Å; L343-T483 HydrophobicContact CD1-CG2 4.13Å |
| 344 | V | 97.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 119.6 | 166.1 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | I342 L383 V459 V480 L481 V482 T483 L488 F492 | I342-V344 HydrophobicContact CG2-CG2 4.24Å; V344-L383 VanDerWaalsContact CA-O 3.32Å; V344-L383 WeakPolarHBondContact CA-O 3.39Å; V344-L383 HydrophobicContact CG2-CB 4.33Å; V344-L383 HydrophobicContact CG2-CD1 4.33Å; V344-V459 HydrophobicContact CG1-CG1 3.92Å; V344-V459 HydrophobicContact CG2-CG1 3.93Å; V344-V480 HydrophobicContact CG2-CG1 3.69Å; V344-L481 PolarHBondContact N-O 3.48Å; V344-V482 HydrophobicContact CB-CG1 4.43Å; V344-V482 HydrophobicContact CB-CG2 4.18Å; V344-V482 HydrophobicContact CG2-CG2 4.4Å; V344-V482 WeakPolarHBondContact O-CA 3.35Å; V344-T483 PolarHBondContact O-N 3.26Å; V344-L488 HydrophobicContact CG1-CD1 4.45Å; V344-L488 HydrophobicContact CG1-CD2 4.19Å; V344-F492 HydrophobicContact CB-CE2 4.46Å; V344-F492 HydrophobicContact CB-CZ 4.38Å; V344-F492 HydrophobicContact CG1-CE2 3.79Å; V344-F492 HydrophobicContact CG1-CZ 3.97Å; V344-F492 HydrophobicContact CG2-CZ 4.11Å |
| 345 | F | 95.5 | Very high | 81.9 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.3 | -169.7 | -177.5 | -90.1 | 0 | 0 | 0 | 113.4 | L343 C347 A353 L356 L357 L360 L383 F384 T483 | L343-F345 HydrophobicContact CD1-CB 4.36Å; L343-F345 HydrophobicContact CD2-CB 4.45Å; L343-F345 HydrophobicContact CG-CB 4.24Å; F345-C347 HydrophobicContact CE1-CB 4.18Å; F345-C347 HydrophobicContact CZ-CB 4Å; F345-A353 HydrophobicContact CE1-CB 4.04Å; F345-L356 HydrophobicContact CE2-CB 4.16Å; F345-L356 HydrophobicContact CZ-CB 3.78Å; F345-L356 HydrophobicContact CZ-CD1 4.22Å; F345-L357 HydrophobicContact CB-CD2 4.27Å; F345-L357 HydrophobicContact CD1-CD2 3.6Å; F345-L357 HydrophobicContact CD1-CG 4.29Å; F345-L357 HydrophobicContact CD2-CD2 3.79Å; F345-L357 HydrophobicContact CE1-CD2 3.81Å; F345-L357 HydrophobicContact CE1-CG 4.08Å; F345-L357 HydrophobicContact CE2-CD2 3.99Å; F345-L357 HydrophobicContact CG-CD2 3.59Å; F345-L357 HydrophobicContact CZ-CD2 4Å; F345-L357 HydrophobicContact CZ-CG 4.27Å; F345-L360 HydrophobicContact CD2-CD1 4.09Å; F345-L360 HydrophobicContact CE2-CD1 4.4Å; F345-L383 PolarHBondContact N-O 3.06Å; F345-F384 HydrophobicContact CB-CD1 4.16Å; F345-F384 HydrophobicContact CB-CE1 3.91Å; F345-F384 HydrophobicContact CD1-CD1 4.16Å; F345-F384 AromaticContact CD1-CE1 3.94Å; F345-F384 HydrophobicContact CD1-CE1 3.94Å; F345-F384 HydrophobicContact CG-CE1 4.32Å; F345-T483 HydrophobicContact CD2-CG2 4.01Å |
| 346 | H | 93.1 | Very high | 83.4 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.023 | 27% | 0.269 | C | S | . | . | trans | -157 | 143.9 | 167.1 | -171.9 | 77.8 | 0 | 0 | 0 | 110.6 | T348 S385 P387 H434 T483 G484 S485 L488 | H346-T348 VanDerWaalsContact CD2-CG2 3.43Å; H346-T348 WeakPolarHBondContact CD2-CG2 3.34Å; H346-T348 WeakPolarHBondContact NE2-CG2 3.32Å; H346-S385 WeakPolarHBondContact CB-O 3.38Å; H346-S385 PolarHBondContact ND1-O 2.79Å; H346-S385 VanDerWaalsContact ND1-O 3.1Å; H346-P387 WeakPolarHBondContact NE2-CD 3.28Å; H346-H434 AromaticContact CE1-CE1 3.69Å; H346-H434 AromaticContact ND1-CE1 3.44Å; H346-H434 PolarHBondContact ND1-CE1 3.07Å; H346-H434 AromaticContact ND1-ND1 3.57Å; H346-T483 PolarHBondContact N-O 2.91Å; H346-G484 CarbonylContact O-C 3.56Å; H346-G484 WeakPolarHBondContact O-CA 3.45Å; H346-S485 WeakPolarHBondContact O-CB 3.33Å; H346-S485 PolarHBondContact O-N 3.26Å; H346-L488 HydrophobicContact CB-CB 4.26Å; H346-L488 HydrophobicContact CB-CD2 3.71Å; H346-L488 HydrophobicContact CB-CG 4.4Å | ||
| 347 | C | 87.3 | Confident | 84.9 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | trans | -128.9 | 151.6 | 167.6 | 71.8 | 0 | 0 | 0 | 0 | 111.3 | F345 R351 L356 H434 | F345-C347 HydrophobicContact CE1-CB 4.18Å; F345-C347 HydrophobicContact CZ-CB 4Å; C347-R351 HydrophobicContact CB-CB 4.29Å; C347-L356 HydrophobicContact CB-CD1 3.69Å; C347-H434 PolarHBondContact N-CE1 3.43Å; C347-H434 VanDerWaalsContact N-CE1 3.31Å; C347-H434 PolarHBondContact O-CE1 2.96Å; C347-H434 PolarHBondContact O-NE2 3.44Å; C347-H434 PolarHBondContact SG-NE2 2.95Å | ||
| 348 | T | 78.4 | Confident | 86 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | trans | -135.7 | 177.1 | -177.4 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | H346 R351 | H346-T348 VanDerWaalsContact CD2-CG2 3.43Å; H346-T348 WeakPolarHBondContact CD2-CG2 3.34Å; H346-T348 WeakPolarHBondContact NE2-CG2 3.32Å; T348-R351 WeakPolarHBondContact O-CG 3.31Å; T348-R351 PolarHBondContact O-NH1 3.32Å | ||
| 349 | K | 69.6 | Low | 86.2 | Confident | 135 Ų | 135 | 36 Ų | 36 | 59% | 0.587 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 46.1 | 171.3 | -56.9 | 178.3 | 178.7 | 176.1 | 0 | 113.2 | R351 Y487 | K349-R351 VanDerWaalsContact C-N 3.27Å; K349-R351 PolarHBondContact O-N 2.68Å; K349-Y487 PolarHBondContact NZ-OH 3.39Å |
| 350 | G | 69.1 | Low | 86.2 | Confident | 79 Ų | 79 | 35.8 Ų | 35.8 | 81% | 0.814 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 7.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 351 | R | 77.5 | Confident | 85.8 | Confident | 55 Ų | 55 | 36 Ų | 36 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | trans | -78.9 | 151.1 | 174.7 | -61.7 | -177.4 | 179 | 100.9 | -2.2 | 110.6 | D155 H312 C347 T348 K349 L356 | D155-R351 IonicContact OD1-NH2 3.28Å; D155-R351 IonicContact OD2-NH2 2.86Å; H312-R351 VanDerWaalsContact CD2-CZ 3.42Å; H312-R351 PolarHBondContact CD2-NH2 2.88Å; H312-R351 VanDerWaalsContact CD2-NH2 3.29Å; H312-R351 WeakPolarHBondContact O-CD 3.29Å; H312-R351 PolarHBondContact O-NE 3.42Å; C347-R351 HydrophobicContact CB-CB 4.29Å; T348-R351 WeakPolarHBondContact O-CG 3.31Å; T348-R351 PolarHBondContact O-NH1 3.32Å; K349-R351 VanDerWaalsContact C-N 3.27Å; K349-R351 PolarHBondContact O-N 2.68Å; R351-L356 HydrophobicContact CB-CD1 4.29Å | ||
| 352 | Q | 83.7 | Confident | 84.7 | Confident | 107 Ų | 107 | 37.3 Ų | 37.3 | 50% | 0.5 | 20% | 0.202 | S | C | . | . | trans | -109.6 | 123.1 | -174.7 | -59.7 | -175.9 | 21.6 | 0 | 0 | 111 | K354 Q355 L356 | Q352-K354 PolarHBondContact O-N 2.9Å; Q352-Q355 HydrophobicContact CB-CG 4.17Å; Q352-Q355 PolarHBondContact O-N 3.31Å; Q352-L356 PolarHBondContact O-N 2.89Å | ||
| 353 | A | 89.1 | Confident | 83.3 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.6 | -35.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F345 Q355 L356 L357 H434 A437 | F345-A353 HydrophobicContact CE1-CB 4.04Å; A353-Q355 PolarHBondContact O-N 2.98Å; A353-L356 PolarHBondContact O-N 3.13Å; A353-L357 HydrophobicContact CB-CD1 3.88Å; A353-L357 HydrophobicContact CB-CG 4.25Å; A353-L357 WeakPolarHBondContact O-CB 3.46Å; A353-L357 WeakPolarHBondContact O-CG 3.27Å; A353-L357 PolarHBondContact O-N 2.76Å; A353-H434 HydrophobicContact CB-CB 4.14Å; A353-H434 WeakPolarHBondContact CB-CD2 3.23Å; A353-A437 HydrophobicContact CB-CB 4Å |
| 354 | K | 88.9 | Confident | 81.9 | Confident | 129 Ų | 129 | 37.6 Ų | 37.6 | 56% | 0.561 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -56.5 | -22.3 | 174.5 | -67.5 | -169.7 | 175.1 | -166.7 | 0 | 114.2 | Q352 P358 A437 D440 | Q352-K354 PolarHBondContact O-N 2.9Å; K354-P358 VanDerWaalsContact O-CD 3.26Å; K354-P358 WeakPolarHBondContact O-CD 3.43Å; K354-P358 WeakPolarHBondContact O-CG 3.23Å; K354-A437 HydrophobicContact CG-CB 3.66Å; K354-D440 IonicContact NZ-OD2 2.88Å |
| 355 | Q | 85.3 | Confident | 80.2 | Confident | 86 Ų | 86 | 41.2 Ų | 41.2 | 40% | 0.402 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -96.1 | -28.2 | 176.5 | -63.9 | 178.5 | 0.4 | 0 | 0 | 113 | Q318 Q352 A353 | Q318-Q355 PolarHBondContact NE2-O 3.16Å; Q352-Q355 HydrophobicContact CB-CG 4.17Å; Q352-Q355 PolarHBondContact O-N 3.31Å; A353-Q355 PolarHBondContact O-N 2.98Å |
| 356 | L | 86.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -97 | -25 | -172.5 | -63.7 | 180 | 0 | 0 | 0 | 113.7 | V317 F345 C347 R351 Q352 A353 | V317-L356 WeakPolarHBondContact CG1-O 3.36Å; V317-L356 HydrophobicContact CG2-CD2 4.32Å; F345-L356 HydrophobicContact CE2-CB 4.16Å; F345-L356 HydrophobicContact CZ-CB 3.78Å; F345-L356 HydrophobicContact CZ-CD1 4.22Å; C347-L356 HydrophobicContact CB-CD1 3.69Å; R351-L356 HydrophobicContact CB-CD1 4.29Å; Q352-L356 PolarHBondContact O-N 2.89Å; A353-L356 PolarHBondContact O-N 3.13Å |
| 357 | L | 89.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -79 | -44.4 | 179.1 | -68.3 | 173.4 | 0 | 0 | 0 | 114.1 | L343 F345 A353 P359 L360 F384 A437 W438 L441 | L343-L357 HydrophobicContact CD2-CD2 4.48Å; F345-L357 HydrophobicContact CB-CD2 4.27Å; F345-L357 HydrophobicContact CD1-CD2 3.6Å; F345-L357 HydrophobicContact CD1-CG 4.29Å; F345-L357 HydrophobicContact CD2-CD2 3.79Å; F345-L357 HydrophobicContact CE1-CD2 3.81Å; F345-L357 HydrophobicContact CE1-CG 4.08Å; F345-L357 HydrophobicContact CE2-CD2 3.99Å; F345-L357 HydrophobicContact CG-CD2 3.59Å; F345-L357 HydrophobicContact CZ-CD2 4Å; F345-L357 HydrophobicContact CZ-CG 4.27Å; A353-L357 HydrophobicContact CB-CD1 3.88Å; A353-L357 HydrophobicContact CB-CG 4.25Å; A353-L357 WeakPolarHBondContact O-CB 3.46Å; A353-L357 WeakPolarHBondContact O-CG 3.27Å; A353-L357 PolarHBondContact O-N 2.76Å; L357-P359 VanDerWaalsContact C-CD 3.43Å; L357-P359 VanDerWaalsContact C-N 3.35Å; L357-L360 HydrophobicContact CD2-CD1 4.07Å; L357-L360 VanDerWaalsContact O-CB 3.28Å; L357-L360 WeakPolarHBondContact O-CB 3.02Å; L357-L360 PolarHBondContact O-N 2.88Å; L357-F384 HydrophobicContact CD1-CE1 4.36Å; L357-F384 HydrophobicContact CD2-CE1 4.3Å; L357-A437 HydrophobicContact CD1-CB 4.05Å; L357-W438 HydrophobicContact CB-CE3 4.28Å; L357-W438 HydrophobicContact CD1-CB 3.98Å; L357-W438 HydrophobicContact CD1-CE3 4.21Å; L357-W438 HydrophobicContact CD2-CE3 3.89Å; L357-W438 HydrophobicContact CD2-CZ3 4.29Å; L357-W438 HydrophobicContact CG-CE3 4.35Å; L357-L441 HydrophobicContact CB-CD2 3.81Å |
| 358 | P | 86.6 | Confident | 75.5 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 26% | 0.26 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -50.7 | -44.6 | -175.6 | -26.4 | 33.5 | 0 | 0 | 0 | 115.2 | K354 L360 I361 V362 L441 | K354-P358 VanDerWaalsContact O-CD 3.26Å; K354-P358 WeakPolarHBondContact O-CD 3.43Å; K354-P358 WeakPolarHBondContact O-CG 3.23Å; P358-L360 PolarHBondContact O-N 3.24Å; P358-I361 PolarHBondContact O-N 3.37Å; P358-V362 PolarHBondContact O-N 3.1Å; P358-L441 HydrophobicContact CB-CD1 3.98Å; P358-L441 HydrophobicContact CB-CD2 4.32Å; P358-L441 HydrophobicContact CG-CD1 4.1Å; P358-L441 HydrophobicContact CG-CD2 4.16Å |
| 359 | P | 81 | Confident | 74.3 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72 | -16.5 | -178.5 | -12.9 | 27.4 | 0 | 0 | 0 | 113.8 | V317 Q318 L357 I361 C363 | V317-P359 HydrophobicContact CB-CB 4.16Å; V317-P359 HydrophobicContact CB-CG 4.14Å; V317-P359 HydrophobicContact CG1-CB 3.52Å; V317-P359 HydrophobicContact CG1-CG 3.76Å; V317-P359 WeakPolarHBondContact O-CB 3.41Å; Q318-P359 HydrophobicContact CB-CG 4.06Å; Q318-P359 HydrophobicContact CG-CG 3.45Å; Q318-P359 VanDerWaalsContact CG-CG 3.45Å; L357-P359 VanDerWaalsContact C-CD 3.43Å; L357-P359 VanDerWaalsContact C-N 3.35Å; P359-I361 PolarHBondContact O-N 2.86Å; P359-C363 PolarHBondContact O-SG 3.02Å; P359-C363 VanDerWaalsContact O-SG 3.34Å |
| 360 | L | 83.3 | Confident | 73.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -22 | 171.5 | -60.4 | 178.9 | 0 | 0 | 0 | 112.2 | V317 V325 L343 F345 L357 P358 W364 T483 | V317-L360 HydrophobicContact CG1-CD2 3.6Å; V317-L360 HydrophobicContact CG1-CG 3.8Å; V325-L360 HydrophobicContact CG2-CD2 3.46Å; V325-L360 VanDerWaalsContact CG2-CD2 3.46Å; L343-L360 HydrophobicContact CD1-CD1 3.98Å; L343-L360 HydrophobicContact CD2-CD1 4.01Å; F345-L360 HydrophobicContact CD2-CD1 4.09Å; F345-L360 HydrophobicContact CE2-CD1 4.4Å; L357-L360 HydrophobicContact CD2-CD1 4.07Å; L357-L360 VanDerWaalsContact O-CB 3.28Å; L357-L360 WeakPolarHBondContact O-CB 3.02Å; L357-L360 PolarHBondContact O-N 2.88Å; P358-L360 PolarHBondContact O-N 3.24Å; L360-W364 PolarHBondContact O-NE1 3.38Å; L360-T483 HydrophobicContact CD1-CG2 4.12Å; L360-T483 HydrophobicContact CD2-CG2 4.34Å |
| 361 | I | 79.8 | Confident | 72.4 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 9% | 0.087 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -94.9 | -47.2 | 178.8 | -73.7 | 173.6 | 0 | 0 | 0 | 111.7 | P358 P359 C363 W364 C377 W438 L441 I442 | P358-I361 PolarHBondContact O-N 3.37Å; P359-I361 PolarHBondContact O-N 2.86Å; I361-C363 PolarHBondContact O-N 3.25Å; I361-W364 WeakPolarHBondContact O-CB 3.32Å; I361-W364 PolarHBondContact O-N 2.93Å; I361-C377 HydrophobicContact CD1-CB 3.73Å; I361-C377 HydrophobicContact CG1-CB 3.84Å; I361-W438 HydrophobicContact CD1-CE3 4.39Å; I361-W438 HydrophobicContact CD1-CH2 3.71Å; I361-W438 HydrophobicContact CD1-CZ2 4.3Å; I361-W438 HydrophobicContact CD1-CZ3 3.76Å; I361-W438 HydrophobicContact CG1-CH2 3.88Å; I361-W438 HydrophobicContact CG1-CZ3 4.04Å; I361-L441 HydrophobicContact CD1-CD2 3.64Å; I361-L441 HydrophobicContact CD1-CG 3.69Å; I361-I442 HydrophobicContact CD1-CG2 3.49Å; I361-I442 VanDerWaalsContact CD1-CG2 3.49Å |
| 362 | V | 67.3 | Low | 71 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 42% | 0.418 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.3 | -41.6 | -175.5 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | P358 W364 I365 | P358-V362 PolarHBondContact O-N 3.1Å; V362-W364 PolarHBondContact O-N 2.93Å; V362-I365 PolarHBondContact O-N 3.38Å |
| 363 | C | 64.5 | Low | 69.3 | Low | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -20.2 | 179.3 | -65.5 | 0 | 0 | 0 | 0 | 114.5 | S322 V325 P359 I361 I367 | S322-C363 WeakPolarHBondContact CB-SG 3.25Å; S322-C363 PolarHBondContact N-SG 3.27Å; S322-C363 VanDerWaalsContact N-SG 3.39Å; V325-C363 HydrophobicContact CB-CB 4.11Å; V325-C363 HydrophobicContact CG1-CB 3.7Å; P359-C363 PolarHBondContact O-SG 3.02Å; P359-C363 VanDerWaalsContact O-SG 3.34Å; I361-C363 PolarHBondContact O-N 3.25Å; C363-I367 WeakPolarHBondContact O-CB 3.24Å; C363-I367 VanDerWaalsContact O-CD1 3.3Å; C363-I367 WeakPolarHBondContact O-CD1 3.49Å; C363-I367 VanDerWaalsContact O-CG1 3.25Å; C363-I367 WeakPolarHBondContact O-CG1 3.23Å |
| 364 | W | 65.1 | Low | 67.6 | Low | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -77.5 | -36.5 | 175.9 | -66.1 | 90.1 | 0 | 0 | 0 | 112.9 | F328 L329 R341 L360 I361 V362 D366 I367 V368 F379 | F328-W364 HydrophobicContact CD1-CH2 4.3Å; F328-W364 HydrophobicContact CD1-CZ2 4.05Å; F328-W364 AromaticContact CE1-CH2 3.79Å; F328-W364 HydrophobicContact CE1-CH2 3.79Å; F328-W364 AromaticContact CE1-CZ2 3.69Å; F328-W364 HydrophobicContact CE1-CZ2 3.69Å; L329-W364 HydrophobicContact CD2-CD2 4.17Å; L329-W364 HydrophobicContact CD2-CE3 3.64Å; L329-W364 HydrophobicContact CD2-CH2 3.19Å; L329-W364 HydrophobicContact CD2-CZ2 3.81Å; L329-W364 HydrophobicContact CD2-CZ3 3.11Å; L329-W364 HydrophobicContact CG-CH2 4.33Å; L329-W364 HydrophobicContact CG-CZ3 4.46Å; R341-W364 VanDerWaalsContact CZ-CZ3 3.5Å; R341-W364 VanDerWaalsContact NH1-CZ3 3.27Å; L360-W364 PolarHBondContact O-NE1 3.38Å; I361-W364 WeakPolarHBondContact O-CB 3.32Å; I361-W364 PolarHBondContact O-N 2.93Å; V362-W364 PolarHBondContact O-N 2.93Å; W364-D366 VanDerWaalsContact C-N 3.28Å; W364-D366 PolarHBondContact O-N 2.98Å; W364-I367 PolarHBondContact O-N 3.41Å; W364-V368 HydrophobicContact CE3-CG2 4.05Å; W364-V368 PolarHBondContact O-N 2.93Å; W364-F379 HydrophobicContact CZ2-CE1 4.09Å; W364-F379 HydrophobicContact CZ2-CE2 4.12Å; W364-F379 AromaticContact CZ2-CZ 3.77Å; W364-F379 HydrophobicContact CZ2-CZ 3.77Å; W364-F379 AromaticContact NE1-CE2 3.46Å; W364-F379 AromaticContact NE1-CZ 3.88Å |
| 365 | I | 62 | Low | 66.1 | Low | 75 Ų | 75 | 53.1 Ų | 53.1 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -36.1 | -175.5 | -63.2 | 173.8 | 0 | 0 | 0 | 110.4 | V362 | V362-I365 PolarHBondContact O-N 3.38Å |
| 366 | D | 59 | Low | 65.2 | Low | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -84.3 | -25.4 | -177.6 | -61.6 | -41.1 | 0 | 0 | 0 | 113.3 | W364 | W364-D366 VanDerWaalsContact C-N 3.28Å; W364-D366 PolarHBondContact O-N 2.98Å |
| 367 | I | 59.9 | Low | 64.7 | Low | 76 Ų | 76 | 56.2 Ų | 56.2 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -99.7 | -33.1 | -172.9 | -62.3 | 173 | 0 | 0 | 0 | 112.2 | L329 C363 W364 | L329-I367 HydrophobicContact CD1-CB 4.1Å; L329-I367 HydrophobicContact CD1-CD1 3.39Å; L329-I367 HydrophobicContact CD1-CG1 4.3Å; L329-I367 HydrophobicContact CD1-CG2 4.03Å; C363-I367 WeakPolarHBondContact O-CB 3.24Å; C363-I367 VanDerWaalsContact O-CD1 3.3Å; C363-I367 WeakPolarHBondContact O-CD1 3.49Å; C363-I367 VanDerWaalsContact O-CG1 3.25Å; C363-I367 WeakPolarHBondContact O-CG1 3.23Å; W364-I367 PolarHBondContact O-N 3.41Å |
| 368 | V | 58.3 | Low | 64.4 | Low | 27 Ų | 27 | 56.3 Ų | 56.3 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -106.4 | 122.8 | -179.9 | -175.1 | 0 | 0 | 0 | 0 | 109 | W364 L370 V372 C373 | W364-V368 HydrophobicContact CE3-CG2 4.05Å; W364-V368 PolarHBondContact O-N 2.93Å; V368-L370 PolarHBondContact O-N 3.34Å; V368-V372 HydrophobicContact CG1-CB 4.07Å; V368-V372 HydrophobicContact CG1-CG1 4.32Å; V368-C373 HydrophobicContact CG1-CB 4.35Å |
| 369 | P | 53.7 | Low | 64.5 | Low | 83 Ų | 83 | 54.4 Ų | 54.4 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | trans | -51.4 | 130.5 | 175 | -25.4 | 32.9 | 0 | 0 | 0 | 110.9 | T371 V372 | P369-T371 PolarHBondContact O-N 3.49Å; P369-V372 PolarHBondContact O-N 3.12Å | ||
| 370 | L | 50.7 | Low | 64.9 | Low | 116 Ų | 116 | 56.3 Ų | 56.3 | 61% | 0.607 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -24.8 | 179.6 | -77.3 | 164.3 | 0 | 0 | 0 | 113.3 | V368 V372 | V368-L370 PolarHBondContact O-N 3.34Å; L370-V372 VanDerWaalsContact C-N 3.3Å; L370-V372 PolarHBondContact O-N 2.9Å |
| 371 | T | 47.6 | Very low | 65.5 | Low | 134 Ų | 134 | 58.3 Ų | 58.3 | 82% | 0.822 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.7 | 176.7 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | P369 | P369-T371 PolarHBondContact O-N 3.49Š|
| 372 | V | 49.7 | Very low | 66.2 | Low | 102 Ų | 102 | 57.5 Ų | 57.5 | 62% | 0.618 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -27.5 | 179.2 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | V368 P369 L370 V374 | V368-V372 HydrophobicContact CG1-CB 4.07Å; V368-V372 HydrophobicContact CG1-CG1 4.32Å; P369-V372 PolarHBondContact O-N 3.12Å; L370-V372 VanDerWaalsContact C-N 3.3Å; L370-V372 PolarHBondContact O-N 2.9Å; V372-V374 PolarHBondContact O-N 3.21Å |
| 373 | C | 47.9 | Very low | 67.7 | Low | 29 Ų | 29 | 54.2 Ų | 54.2 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | trans | -87 | 88.3 | -176.6 | -111.3 | 0 | 0 | 0 | 0 | 111.7 | V368 N375 | V368-C373 HydrophobicContact CG1-CB 4.35Å; C373-N375 PolarHBondContact O-N 3.23Å; C373-N375 VanDerWaalsContact O-N 3.12Å; C373-N375 PolarHBondContact SG-O 3.09Å; C373-N375 VanDerWaalsContact SG-O 3.33Å | ||
| 374 | V | 52.2 | Low | 69.2 | Low | 144 Ų | 144 | 54 Ų | 54 | 87% | 0.873 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -60.2 | -16.6 | 165.1 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | V372 | V372-V374 PolarHBondContact O-N 3.21Š|
| 375 | N | 58.2 | Low | 70.6 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.059 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -129.3 | 108.8 | 179.6 | -171.9 | -6.1 | 0 | 0 | 0 | 109.8 | C373 C377 G378 F379 S447 | C373-N375 PolarHBondContact O-N 3.23Å; C373-N375 VanDerWaalsContact O-N 3.12Å; C373-N375 PolarHBondContact SG-O 3.09Å; C373-N375 VanDerWaalsContact SG-O 3.33Å; N375-C377 PolarHBondContact O-N 3.49Å; N375-C377 PolarHBondContact OD1-N 3.12Å; N375-C377 PolarHBondContact OD1-SG 3.41Å; N375-G378 PolarHBondContact O-N 3.37Å; N375-F379 PolarHBondContact ND2-O 3.38Å; N375-S447 WeakPolarHBondContact CB-OG 3.36Å; N375-S447 PolarHBondContact ND2-OG 3.06Å; N375-S447 PolarHBondContact OD1-OG 2.86Å |
| 376 | R | 66.7 | Low | 72 | Confident | 151 Ų | 151 | 50.6 Ų | 50.6 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.1 | -176.1 | -48.5 | -176.9 | 175.4 | -165 | -0.1 | 113.2 | G378 C445 | R376-G378 VanDerWaalsContact C-N 3.32Å; R376-C445 WeakPolarHBondContact CB-SG 3.31Å |
| 377 | C | 76 | Confident | 73.2 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11.8 | 177.5 | 79.9 | 0 | 0 | 0 | 0 | 113.9 | I361 N375 F379 W438 I442 C448 | I361-C377 HydrophobicContact CD1-CB 3.73Å; I361-C377 HydrophobicContact CG1-CB 3.84Å; N375-C377 PolarHBondContact O-N 3.49Å; N375-C377 PolarHBondContact OD1-N 3.12Å; N375-C377 PolarHBondContact OD1-SG 3.41Å; C377-F379 VanDerWaalsContact C-N 3.27Å; C377-F379 VanDerWaalsContact O-CD2 3.25Å; C377-F379 WeakPolarHBondContact O-CD2 3.1Å; C377-F379 PolarHBondContact O-N 3.2Å; C377-F379 PolarHBondContact SG-O 3.32Å; C377-W438 HydrophobicContact CB-CH2 4.49Å; C377-W438 HydrophobicContact CB-CZ2 4.32Å; C377-I442 HydrophobicContact CB-CG2 3.83Å; C377-C448 VanDerWaalsContact SG-CB 3.56Å |
| 378 | G | 82.3 | Confident | 74.4 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 81.4 | -13.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | N375 R376 | N375-G378 PolarHBondContact O-N 3.37Å; R376-G378 VanDerWaalsContact C-N 3.32Å |
| 379 | F | 89.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -119.6 | 131.9 | -176.3 | -60.3 | -81.6 | 0 | 0 | 0 | 112.7 | F328 R341 L343 W364 N375 C377 Y381 W438 C448 L481 | F328-F379 AromaticContact CE1-CE1 3.92Å; F328-F379 HydrophobicContact CE1-CE1 3.92Å; F328-F379 HydrophobicContact CE1-CZ 4.31Å; R341-F379 HydrophobicContact CB-CD1 4Å; L343-F379 HydrophobicContact CB-CB 4.39Å; L343-F379 HydrophobicContact CB-CD1 3.69Å; L343-F379 HydrophobicContact CB-CD2 4.08Å; L343-F379 HydrophobicContact CB-CE1 3.88Å; L343-F379 HydrophobicContact CB-CE2 4.26Å; L343-F379 HydrophobicContact CB-CG 3.79Å; L343-F379 HydrophobicContact CB-CZ 4.17Å; L343-F379 HydrophobicContact CD1-CZ 4.32Å; L343-F379 HydrophobicContact CD2-CD2 4.47Å; L343-F379 HydrophobicContact CD2-CE2 4.41Å; W364-F379 HydrophobicContact CZ2-CE1 4.09Å; W364-F379 HydrophobicContact CZ2-CE2 4.12Å; W364-F379 AromaticContact CZ2-CZ 3.77Å; W364-F379 HydrophobicContact CZ2-CZ 3.77Å; W364-F379 AromaticContact NE1-CE2 3.46Å; W364-F379 AromaticContact NE1-CZ 3.88Å; N375-F379 PolarHBondContact ND2-O 3.38Å; C377-F379 VanDerWaalsContact C-N 3.27Å; C377-F379 VanDerWaalsContact O-CD2 3.25Å; C377-F379 WeakPolarHBondContact O-CD2 3.1Å; C377-F379 PolarHBondContact O-N 3.2Å; C377-F379 PolarHBondContact SG-O 3.32Å; F379-Y381 VanDerWaalsContact C-N 3.34Å; F379-W438 HydrophobicContact CD2-CH2 4.03Å; F379-C448 WeakPolarHBondContact O-CB 3.16Å; F379-C448 PolarHBondContact O-SG 3.32Å; F379-L481 HydrophobicContact CE1-CB 4.14Å; F379-L481 HydrophobicContact CE1-CD2 4.31Å; F379-L481 HydrophobicContact CZ-CD2 3.89Å | ||
| 380 | Q | 90 | Very high | 76.4 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -75.2 | -27.6 | 172.2 | -74.4 | 71.9 | 41.8 | 0 | 0 | 112.2 | V340 R341 K449 | V340-Q380 HydrophobicContact CG1-CB 4.35Å; R341-Q380 PolarHBondContact O-N 3.06Å; R341-Q380 PolarHBondContact O-OE1 3.24Å; Q380-K449 PolarHBondContact O-N 2.94Å |
| 381 | Y | 94.5 | Very high | 76.9 | Confident | 43 Ų | 43 | 39 Ų | 39 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.1 | 178.1 | -65.1 | -91.4 | 0 | 0 | 0 | 110.7 | V340 R341 I342 L343 F379 K449 F462 I466 | V340-Y381 HydrophobicContact CG1-CD2 4.29Å; V340-Y381 HydrophobicContact CG1-CE2 4.21Å; R341-Y381 PolarHBondContact O-N 3.34Å; I342-Y381 CarbonylContact C-O 3.55Å; I342-Y381 WeakPolarHBondContact CA-O 3.29Å; I342-Y381 HydrophobicContact CG1-CD2 4.17Å; L343-Y381 PolarHBondContact N-O 2.95Å; F379-Y381 VanDerWaalsContact C-N 3.34Å; Y381-K449 CarbonylContact C-O 3.6Å; Y381-K449 VanDerWaalsContact CA-O 3.25Å; Y381-K449 WeakPolarHBondContact CA-O 3.05Å; Y381-K449 HydrophobicContact CD1-CB 3.7Å; Y381-K449 HydrophobicContact CD1-CD 4.24Å; Y381-K449 HydrophobicContact CE1-CB 3.85Å; Y381-K449 HydrophobicContact CE1-CD 3.5Å; Y381-K449 VanDerWaalsContact CE1-CD 3.5Å; Y381-K449 HydrophobicContact CE1-CG 4.28Å; Y381-F462 HydrophobicContact CD1-CE1 4.19Å; Y381-F462 HydrophobicContact CD1-CZ 4.48Å; Y381-F462 HydrophobicContact CE1-CE1 4.45Å; Y381-F462 HydrophobicContact CE1-CZ 4.36Å; Y381-I466 HydrophobicContact CD1-CD1 3.92Å; Y381-I466 HydrophobicContact CD2-CD1 3.91Å; Y381-I466 HydrophobicContact CE1-CD1 3.89Å; Y381-I466 HydrophobicContact CE2-CD1 3.89Å; Y381-I466 HydrophobicContact CE2-CG1 4.4Å; Y381-I466 HydrophobicContact CE2-CG2 4.21Å; Y381-I466 HydrophobicContact CG-CD1 3.94Å |
| 382 | A | 95.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 116.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F384 W438 K449 T450 K451 | A382-F384 HydrophobicContact CB-CE2 4.12Å; A382-F384 HydrophobicContact CB-CZ 4.28Å; A382-W438 HydrophobicContact CB-CD2 4.04Å; A382-W438 HydrophobicContact CB-CG 4.28Å; A382-W438 HydrophobicContact CB-CZ2 3.7Å; A382-K449 PolarHBondContact N-O 3.05Å; A382-T450 WeakPolarHBondContact O-CA 3.49Å; A382-K451 PolarHBondContact O-N 3.23Å |
| 383 | L | 98.1 | Very high | 77.3 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.1 | -172.5 | -45.1 | -178.9 | 0 | 0 | 0 | 109.5 | I342 L343 V344 F345 K451 F453 V459 F462 V463 | I342-L383 HydrophobicContact CG2-CD1 3.54Å; I342-L383 HydrophobicContact CG2-CG 3.84Å; L343-L383 PolarHBondContact O-N 3.39Å; V344-L383 VanDerWaalsContact CA-O 3.32Å; V344-L383 WeakPolarHBondContact CA-O 3.39Å; V344-L383 HydrophobicContact CG2-CB 4.33Å; V344-L383 HydrophobicContact CG2-CD1 4.33Å; F345-L383 PolarHBondContact N-O 3.06Å; L383-K451 VanDerWaalsContact CA-O 3.3Å; L383-K451 WeakPolarHBondContact CA-O 3.42Å; L383-K451 HydrophobicContact CD2-CB 4.22Å; L383-F453 HydrophobicContact CB-CD2 4.35Å; L383-F453 HydrophobicContact CB-CE2 4Å; L383-F453 HydrophobicContact CD1-CE2 4.36Å; L383-F453 HydrophobicContact CD2-CE2 3.91Å; L383-F453 HydrophobicContact CD2-CZ 4.5Å; L383-F453 HydrophobicContact CG-CE2 4.29Å; L383-V459 HydrophobicContact CB-CG1 4.16Å; L383-V459 HydrophobicContact CD1-CG1 3.69Å; L383-F462 HydrophobicContact CD1-CD1 3.83Å; L383-F462 HydrophobicContact CD1-CE1 4.27Å; L383-F462 HydrophobicContact CD2-CD1 4.05Å; L383-F462 HydrophobicContact CD2-CE1 3.74Å; L383-V463 HydrophobicContact CD1-CG2 3.88Å |
| 384 | F | 97.1 | Very high | 77.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.8 | -179.5 | -61.3 | -77.6 | 0 | 0 | 0 | 109.6 | F345 L357 A382 V431 H434 E435 W438 T450 K451 S452 F453 | F345-F384 HydrophobicContact CB-CD1 4.16Å; F345-F384 HydrophobicContact CB-CE1 3.91Å; F345-F384 HydrophobicContact CD1-CD1 4.16Å; F345-F384 AromaticContact CD1-CE1 3.94Å; F345-F384 HydrophobicContact CD1-CE1 3.94Å; F345-F384 HydrophobicContact CG-CE1 4.32Å; L357-F384 HydrophobicContact CD1-CE1 4.36Å; L357-F384 HydrophobicContact CD2-CE1 4.3Å; A382-F384 HydrophobicContact CB-CE2 4.12Å; A382-F384 HydrophobicContact CB-CZ 4.28Å; F384-V431 HydrophobicContact CB-CG1 3.99Å; F384-H434 HydrophobicContact CD1-CB 3.55Å; F384-H434 HydrophobicContact CE1-CB 4.02Å; F384-H434 HydrophobicContact CG-CB 4.23Å; F384-E435 HydrophobicContact CD2-CB 3.88Å; F384-E435 HydrophobicContact CD2-CG 4.45Å; F384-E435 HydrophobicContact CE2-CB 4.37Å; F384-E435 HydrophobicContact CG-CB 4.38Å; F384-W438 HydrophobicContact CE1-CB 4.28Å; F384-W438 HydrophobicContact CE2-CB 3.75Å; F384-W438 AromaticContact CE2-CG 3.88Å; F384-W438 HydrophobicContact CE2-CG 3.88Å; F384-W438 HydrophobicContact CZ-CB 3.32Å; F384-W438 HydrophobicContact CZ-CD2 4.01Å; F384-W438 HydrophobicContact CZ-CE3 4.44Å; F384-W438 AromaticContact CZ-CG 3.52Å; F384-W438 HydrophobicContact CZ-CG 3.52Å; F384-T450 HydrophobicContact CD2-CG2 3.98Å; F384-T450 HydrophobicContact CE2-CG2 3.63Å; F384-K451 PolarHBondContact N-O 3.45Å; F384-S452 CarbonylContact O-C 3.54Å; F384-S452 WeakPolarHBondContact O-CA 3.5Å; F384-F453 PolarHBondContact O-N 2.92Å |
| 385 | S | 93.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -144.8 | 145.5 | -177.4 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | H346 C455 V456 | H346-S385 WeakPolarHBondContact CB-O 3.38Å; H346-S385 PolarHBondContact ND1-O 2.79Å; H346-S385 VanDerWaalsContact ND1-O 3.1Å; S385-C455 PolarHBondContact OG-O 2.84Å; S385-V456 PolarHBondContact OG-N 3.18Å | ||
| 386 | P | 91 | Very high | 75.3 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | trans | -68.8 | 165.8 | 167 | 35.5 | -36.9 | 0 | 0 | 0 | 110.9 | A388 T427 V431 F453 T454 V456 | P386-A388 PolarHBondContact O-N 3.24Å; P386-T427 HydrophobicContact CB-CG2 3.13Å; P386-T427 HydrophobicContact CG-CG2 3.89Å; P386-V431 HydrophobicContact CB-CG2 4.23Å; P386-V431 HydrophobicContact CG-CG2 4.45Å; P386-F453 WeakPolarHBondContact CD-O 3.16Å; P386-T454 WeakPolarHBondContact CG-O 3.37Å; P386-V456 WeakPolarHBondContact O-CG2 3.04Å | ||
| 387 | P | 84.9 | Confident | 73.9 | Confident | 36 Ų | 36 | 36 Ų | 36 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -76.4 | -1.4 | 179.7 | 32.9 | -36.7 | 0 | 0 | 0 | 113.3 | H346 T389 | H346-P387 WeakPolarHBondContact NE2-CD 3.28Å; P387-T389 PolarHBondContact O-N 3.11Å |
| 388 | A | 84.3 | Confident | 71.8 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 26% | 0.256 | 24% | 0.242 | S | C | . | . | trans | -62.3 | 129.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | P386 C455 V456 | P386-A388 PolarHBondContact O-N 3.24Å; A388-C455 CarbonylContact O-C 3.44Å; A388-C455 WeakPolarHBondContact O-CA 3.46Å; A388-C455 WeakPolarHBondContact O-CB 3.44Å; A388-V456 WeakPolarHBondContact O-CG2 3.48Å; A388-V456 PolarHBondContact O-N 3Å | ||
| 389 | T | 79.1 | Confident | 69.6 | Low | 20 Ų | 20 | 40.1 Ų | 40.1 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -70.2 | -37.7 | -175.3 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | P387 N457 | P387-T389 PolarHBondContact O-N 3.11Å; T389-N457 WeakPolarHBondContact O-CB 3.03Å; T389-N457 PolarHBondContact O-N 3.19Å |
| 390 | A | 76.6 | Confident | 66.9 | Low | 14 Ų | 14 | 44.4 Ų | 44.4 | 12% | 0.116 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -135.7 | 166.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D394 C397 | A390-D394 HydrophobicContact CB-CB 4.27Å; A390-C397 HydrophobicContact CB-CB 3.81Å |
| 391 | S | 60.8 | Low | 64.3 | Low | 39 Ų | 39 | 45.9 Ų | 45.9 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | trans | -68.9 | 153.1 | 174.9 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | D393 D394 | S391-D393 PolarHBondContact O-N 3.07Å; S391-D394 PolarHBondContact O-N 3.04Å; S391-D394 VanDerWaalsContact O-N 3.15Å | ||
| 392 | S | 57.4 | Low | 61.4 | Low | 79 Ų | 79 | 44.9 Ų | 44.9 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.4 | 177.4 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | D394 R424 | S392-D394 VanDerWaalsContact C-N 3.33Å; S392-R424 PolarHBondContact OG-NH1 3.34Å; S392-R424 VanDerWaalsContact OG-NH1 3.11Å |
| 393 | D | 48.9 | Very low | 58.3 | Low | 121 Ų | 121 | 48.3 Ų | 48.3 | 65% | 0.647 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.9 | -174 | -51.7 | -20.1 | 0 | 0 | 0 | 111.6 | S391 P395 | S391-D393 PolarHBondContact O-N 3.07Å; D393-P395 VanDerWaalsContact O-CD 3.31Å; D393-P395 WeakPolarHBondContact O-CD 3.25Å |
| 394 | D | 42.7 | Very low | 55.2 | Low | 62 Ų | 62 | 50.9 Ų | 50.9 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | trans | -80.8 | 113.9 | 172.6 | -177.7 | -1.6 | 0 | 0 | 0 | 110.2 | A390 S391 S392 A396 C397 | A390-D394 HydrophobicContact CB-CB 4.27Å; S391-D394 PolarHBondContact O-N 3.04Å; S391-D394 VanDerWaalsContact O-N 3.15Å; S392-D394 VanDerWaalsContact C-N 3.33Å; D394-A396 PolarHBondContact O-N 3.45Å; D394-A396 VanDerWaalsContact O-N 3.14Å; D394-A396 WeakPolarHBondContact OD1-CB 3.38Å; D394-A396 PolarHBondContact OD1-N 3.14Å; D394-C397 HydrophobicContact CB-CB 3.85Å; D394-C397 WeakPolarHBondContact O-CA 3.44Å; D394-C397 VanDerWaalsContact O-CB 3.23Å; D394-C397 WeakPolarHBondContact O-CB 3.39Å; D394-C397 PolarHBondContact O-N 3.15Å | ||
| 395 | P | 34.5 | Very low | 52.3 | Low | 134 Ų | 134 | 52.5 Ų | 52.5 | 87% | 0.87 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.3 | 178.4 | 24 | -31.4 | 0 | 0 | 0 | 113.8 | D393 | D393-P395 VanDerWaalsContact O-CD 3.31Å; D393-P395 WeakPolarHBondContact O-CD 3.25Å |
| 396 | A | 37.2 | Very low | 49.2 | Very low | 82 Ų | 82 | 52.9 Ų | 52.9 | 68% | 0.678 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -14.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D394 G398 | D394-A396 PolarHBondContact O-N 3.45Å; D394-A396 VanDerWaalsContact O-N 3.14Å; D394-A396 WeakPolarHBondContact OD1-CB 3.38Å; D394-A396 PolarHBondContact OD1-N 3.14Å; A396-G398 PolarHBondContact O-N 3.06Å |
| 397 | C | 37.8 | Very low | 46.3 | Very low | 30 Ų | 30 | 62.5 Ų | 62.5 | 20% | 0.203 | 38% | 0.376 | C | S | . | . | trans | -80.7 | 64.7 | -179.6 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | A390 D394 N399 | A390-C397 HydrophobicContact CB-CB 3.81Å; D394-C397 HydrophobicContact CB-CB 3.85Å; D394-C397 WeakPolarHBondContact O-CA 3.44Å; D394-C397 VanDerWaalsContact O-CB 3.23Å; D394-C397 WeakPolarHBondContact O-CB 3.39Å; D394-C397 PolarHBondContact O-N 3.15Å; C397-N399 PolarHBondContact O-N 2.88Å | ||
| 398 | G | 33.1 | Very low | 44 | Very low | 29 Ų | 29 | 67.5 Ų | 67.5 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | trans | -60.3 | 105.1 | 135.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | A396 L400 V403 | A396-G398 PolarHBondContact O-N 3.06Å; G398-L400 PolarHBondContact O-N 2.92Å; G398-V403 WeakPolarHBondContact O-CG2 3.5Å | ||
| 399 | N | 35 | Very low | 41.7 | Very low | 62 Ų | 62 | 71.7 Ų | 71.7 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | trans | -37.7 | 122.4 | 168.9 | -96.3 | -35.9 | 0 | 0 | 0 | 107.5 | C397 T401 S402 V403 | C397-N399 PolarHBondContact O-N 2.88Å; N399-T401 PolarHBondContact O-N 3.05Å; N399-S402 WeakPolarHBondContact CB-OG 3.3Å; N399-S402 PolarHBondContact N-OG 2.99Å; N399-S402 CarbonylContact O-C 3.02Å; N399-S402 WeakPolarHBondContact O-CA 3.36Å; N399-S402 WeakPolarHBondContact O-CB 3.36Å; N399-S402 PolarHBondContact O-N 3.05Å; N399-S402 PolarHBondContact O-OG 2.84Å; N399-V403 WeakPolarHBondContact O-CG2 3.32Å; N399-V403 PolarHBondContact O-N 2.8Å | ||
| 400 | L | 32.8 | Very low | 39.4 | Very low | 90 Ų | 90 | 75.8 Ų | 75.8 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -24.6 | -179.1 | -89.2 | 154.9 | 0 | 0 | 0 | 112 | G398 S402 V403 | G398-L400 PolarHBondContact O-N 2.92Å; L400-S402 PolarHBondContact O-N 3.09Å; L400-S402 VanDerWaalsContact O-N 3.07Å; L400-V403 HydrophobicContact CD2-CB 4.26Å; L400-V403 HydrophobicContact CD2-CG2 4.3Å; L400-V403 HydrophobicContact CG-CG2 4.43Å; L400-V403 PolarHBondContact O-N 2.79Å |
| 401 | T | 35.7 | Very low | 37.2 | Very low | 84 Ų | 84 | 78.8 Ų | 78.8 | 52% | 0.515 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.8 | -11.5 | 162.8 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | N399 | N399-T401 PolarHBondContact O-N 3.05Å |
| 402 | S | 33.9 | Very low | 36 | Very low | 23 Ų | 23 | 81.1 Ų | 81.1 | 16% | 0.161 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -123.8 | -15.6 | -177.6 | 105.6 | 0 | 0 | 0 | 0 | 113.9 | N399 L400 C404 F405 G406 R407 | N399-S402 WeakPolarHBondContact CB-OG 3.3Å; N399-S402 PolarHBondContact N-OG 2.99Å; N399-S402 CarbonylContact O-C 3.02Å; N399-S402 WeakPolarHBondContact O-CA 3.36Å; N399-S402 WeakPolarHBondContact O-CB 3.36Å; N399-S402 PolarHBondContact O-N 3.05Å; N399-S402 PolarHBondContact O-OG 2.84Å; L400-S402 PolarHBondContact O-N 3.09Å; L400-S402 VanDerWaalsContact O-N 3.07Å; S402-C404 PolarHBondContact O-N 3.42Å; S402-F405 CarbonylContact O-C 3.5Å; S402-F405 PolarHBondContact O-N 3.3Å; S402-G406 VanDerWaalsContact C-N 3.3Å; S402-G406 CarbonylContact O-C 2.93Å; S402-G406 WeakPolarHBondContact O-CA 3.46Å; S402-G406 PolarHBondContact O-N 3.44Å; S402-R407 PolarHBondContact O-N 3.2Å; S402-R407 VanDerWaalsContact O-N 3.11Å |
| 403 | V | 30.5 | Very low | 34.7 | Very low | 71 Ų | 71 | 81.4 Ų | 81.4 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.8 | -39.2 | -179.7 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | G398 N399 L400 F405 | G398-V403 WeakPolarHBondContact O-CG2 3.5Å; N399-V403 WeakPolarHBondContact O-CG2 3.32Å; N399-V403 PolarHBondContact O-N 2.8Å; L400-V403 HydrophobicContact CD2-CB 4.26Å; L400-V403 HydrophobicContact CD2-CG2 4.3Å; L400-V403 HydrophobicContact CG-CG2 4.43Å; L400-V403 PolarHBondContact O-N 2.79Å; V403-F405 VanDerWaalsContact C-N 3.31Å |
| 404 | C | 32.9 | Very low | 33.9 | Very low | 56 Ų | 56 | 81.7 Ų | 81.7 | 38% | 0.378 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.3 | 168.6 | -61 | 0 | 0 | 0 | 0 | 112.9 | S402 | S402-C404 PolarHBondContact O-N 3.42Š|
| 405 | F | 34.9 | Very low | 33.2 | Very low | 34 Ų | 34 | 82.2 Ų | 82.2 | 15% | 0.149 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -79.8 | -173.9 | -95.5 | -100.9 | 0 | 0 | 0 | 112.5 | V78 F94 F98 F108 S402 V403 R407 Y408 Y409 | V78-F405 HydrophobicContact CB-CE2 4.33Å; V78-F405 HydrophobicContact CG1-CD2 4.09Å; V78-F405 HydrophobicContact CG1-CE2 3.75Å; V78-F405 HydrophobicContact CG2-CE2 4.3Å; F94-F405 AromaticContact CE1-CE2 3.89Å; F94-F405 HydrophobicContact CE1-CE2 3.89Å; F94-F405 HydrophobicContact CE1-CZ 4.43Å; F94-F405 AromaticContact CZ-CE2 3.77Å; F94-F405 HydrophobicContact CZ-CE2 3.77Å; F94-F405 HydrophobicContact CZ-CZ 4.14Å; F98-F405 HydrophobicContact CD2-CZ 4.08Å; F98-F405 AromaticContact CE2-CE1 3.92Å; F98-F405 HydrophobicContact CE2-CE1 3.92Å; F98-F405 AromaticContact CE2-CZ 3.73Å; F98-F405 HydrophobicContact CE2-CZ 3.73Å; F108-F405 HydrophobicContact CE2-CZ 4.41Å; F108-F405 AromaticContact CZ-CE1 3.91Å; F108-F405 HydrophobicContact CZ-CE1 3.91Å; F108-F405 AromaticContact CZ-CZ 3.83Å; F108-F405 HydrophobicContact CZ-CZ 3.83Å; S402-F405 CarbonylContact O-C 3.5Å; S402-F405 PolarHBondContact O-N 3.3Å; V403-F405 VanDerWaalsContact C-N 3.31Å; F405-R407 PolarHBondContact O-N 3.12Å; F405-Y408 CarbonylContact O-C 3.5Å; F405-Y408 WeakPolarHBondContact O-CA 3.11Å; F405-Y408 PolarHBondContact O-N 3.11Å; F405-Y409 AromaticContact CD1-CD2 3.31Å; F405-Y409 HydrophobicContact CD1-CD2 3.31Å; F405-Y409 AromaticContact CD1-CE2 3.81Å; F405-Y409 HydrophobicContact CD1-CE2 3.81Å; F405-Y409 AromaticContact CD1-CG 3.99Å; F405-Y409 HydrophobicContact CD1-CG 3.99Å; F405-Y409 AromaticContact CE1-CD2 3.67Å; F405-Y409 HydrophobicContact CE1-CD2 3.67Å; F405-Y409 AromaticContact CE1-CE2 3.84Å; F405-Y409 HydrophobicContact CE1-CE2 3.84Å; F405-Y409 HydrophobicContact CG-CD2 4.49Å; F405-Y409 WeakPolarHBondContact O-CB 3.36Å; F405-Y409 PolarHBondContact O-N 2.95Å |
| 406 | G | 30.3 | Very low | 33.1 | Very low | 8 Ų | 8 | 80.1 Ų | 80.1 | 8% | 0.082 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -3.9 | -70.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 119 | S402 Y408 H410 | S402-G406 VanDerWaalsContact C-N 3.3Å; S402-G406 CarbonylContact O-C 2.93Å; S402-G406 WeakPolarHBondContact O-CA 3.46Å; S402-G406 PolarHBondContact O-N 3.44Å; G406-Y408 PolarHBondContact O-N 3.33Å; G406-H410 WeakPolarHBondContact O-CB 3.45Å; G406-H410 PolarHBondContact O-CD2 3.16Å; G406-H410 PolarHBondContact O-N 3.37Å |
| 407 | R | 29.2 | Very low | 32.8 | Very low | 208 Ų | 208 | 81.7 Ų | 81.7 | 79% | 0.785 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.2 | -32.8 | -179.5 | -80.7 | -168.4 | 179 | -168.9 | 2.2 | 113.5 | S402 F405 | S402-R407 PolarHBondContact O-N 3.2Å; S402-R407 VanDerWaalsContact O-N 3.11Å; F405-R407 PolarHBondContact O-N 3.12Å |
| 408 | Y | 36.2 | Very low | 32.2 | Very low | 140 Ų | 140 | 84 Ų | 84 | 55% | 0.549 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -97.5 | -30 | -179.8 | -81.2 | -79.9 | 0 | 0 | 0 | 114.4 | W99 F405 G406 A411 | W99-Y408 HydrophobicContact CH2-CD1 4.07Å; W99-Y408 HydrophobicContact CH2-CE1 4.48Å; W99-Y408 AromaticContact CZ2-CD1 3.67Å; W99-Y408 HydrophobicContact CZ2-CD1 3.67Å; W99-Y408 AromaticContact CZ2-CE1 3.83Å; W99-Y408 HydrophobicContact CZ2-CE1 3.83Å; F405-Y408 CarbonylContact O-C 3.5Å; F405-Y408 WeakPolarHBondContact O-CA 3.11Å; F405-Y408 PolarHBondContact O-N 3.11Å; G406-Y408 PolarHBondContact O-N 3.33Å; Y408-A411 PolarHBondContact O-N 2.58Å |
| 409 | Y | 36.2 | Very low | 32.1 | Very low | 119 Ų | 119 | 83.3 Ų | 83.3 | 47% | 0.467 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76.4 | -33.2 | 177.1 | -146.5 | -101.7 | 0 | 0 | 0 | 110.8 | F405 A411 | F405-Y409 AromaticContact CD1-CD2 3.31Å; F405-Y409 HydrophobicContact CD1-CD2 3.31Å; F405-Y409 AromaticContact CD1-CE2 3.81Å; F405-Y409 HydrophobicContact CD1-CE2 3.81Å; F405-Y409 AromaticContact CD1-CG 3.99Å; F405-Y409 HydrophobicContact CD1-CG 3.99Å; F405-Y409 AromaticContact CE1-CD2 3.67Å; F405-Y409 HydrophobicContact CE1-CD2 3.67Å; F405-Y409 AromaticContact CE1-CE2 3.84Å; F405-Y409 HydrophobicContact CE1-CE2 3.84Å; F405-Y409 HydrophobicContact CG-CD2 4.49Å; F405-Y409 WeakPolarHBondContact O-CB 3.36Å; F405-Y409 PolarHBondContact O-N 2.95Å; Y409-A411 VanDerWaalsContact C-N 3.32Å |
| 410 | H | 31.9 | Very low | 31.8 | Very low | 106 Ų | 106 | 84.3 Ų | 84.3 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.9 | -26.1 | 169.8 | -75.1 | -65.1 | 0 | 0 | 0 | 112.8 | G406 V412 | G406-H410 WeakPolarHBondContact O-CB 3.45Å; G406-H410 PolarHBondContact O-CD2 3.16Å; G406-H410 PolarHBondContact O-N 3.37Å; H410-V412 VanDerWaalsContact C-N 3.31Å; H410-V412 PolarHBondContact O-N 2.92Å |
| 411 | A | 29.6 | Very low | 31.8 | Very low | 78 Ų | 78 | 83.8 Ų | 83.8 | 65% | 0.645 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -72.2 | -22.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y408 Y409 | Y408-A411 PolarHBondContact O-N 2.58Å; Y409-A411 VanDerWaalsContact C-N 3.32Å |
| 412 | V | 35.6 | Very low | 32 | Very low | 87 Ų | 87 | 81.9 Ų | 81.9 | 53% | 0.527 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -101.7 | -16.3 | -174.4 | -177.3 | 0 | 0 | 0 | 0 | 113.1 | H410 | H410-V412 VanDerWaalsContact C-N 3.31Å; H410-V412 PolarHBondContact O-N 2.92Å |
| 413 | I | 30.1 | Very low | 33.3 | Very low | 85 Ų | 85 | 86.1 Ų | 86.1 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | trans | -134.1 | 104.7 | 174.5 | -55.6 | -177.6 | 0 | 0 | 0 | 110.3 | A415 | I413-A415 VanDerWaalsContact C-N 3.33Å; I413-A415 PolarHBondContact O-N 2.97Å | ||
| 414 | P | 31.7 | Very low | 34.7 | Very low | 128 Ų | 128 | 89.2 Ų | 89.2 | 83% | 0.831 | 48% | 0.48 | S | S | * | . | trans | -73.9 | -11.8 | -175.1 | -18.2 | 30.9 | 0 | 0 | 0 | 116.2 | ||||
| 415 | A | 29.2 | Very low | 35.8 | Very low | 72 Ų | 72 | 92.3 Ų | 92.3 | 60% | 0.595 | 49% | 0.489 | S | S | * | . | trans | -98.6 | 95.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | I413 | I413-A415 VanDerWaalsContact C-N 3.33Å; I413-A415 PolarHBondContact O-N 2.97Å | ||
| 416 | D | 30.9 | Very low | 37.6 | Very low | 90 Ų | 90 | 96.7 Ų | 96.7 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | trans | 178.1 | 37.9 | 151.7 | -100.5 | -1.2 | 0 | 0 | 0 | 118.1 | A418 S419 L420 | D416-A418 PolarHBondContact O-N 2.77Å; D416-S419 WeakPolarHBondContact CB-OG 2.96Å; D416-S419 PolarHBondContact O-N 2.98Å; D416-S419 VanDerWaalsContact O-N 3.11Å; D416-S419 PolarHBondContact O-OG 3.25Å; D416-S419 WeakPolarHBondContact OD2-CB 3.33Å; D416-S419 PolarHBondContact OD2-OG 3.33Å; D416-L420 PolarHBondContact O-N 3.36Å | ||
| 417 | V | 30.8 | Very low | 40 | Very low | 115 Ų | 115 | 98.8 Ų | 98.8 | 70% | 0.697 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.5 | -35 | 165.1 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | S419 L420 V421 | V417-S419 PolarHBondContact O-N 3.43Å; V417-L420 PolarHBondContact O-N 3.2Å; V417-V421 PolarHBondContact O-N 3.01Å |
| 418 | A | 26.2 | Very low | 42.6 | Very low | 78 Ų | 78 | 94.4 Ų | 94.4 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -33.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D416 V421 S422 | D416-A418 PolarHBondContact O-N 2.77Å; A418-V421 PolarHBondContact O-N 2.78Å; A418-S422 PolarHBondContact O-N 2.83Å |
| 419 | S | 30.3 | Very low | 45 | Very low | 16 Ų | 16 | 92.5 Ų | 92.5 | 11% | 0.112 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -79.4 | -18.7 | 177.8 | 92.4 | 0 | 0 | 0 | 0 | 113.8 | D416 V417 S422 K423 | D416-S419 WeakPolarHBondContact CB-OG 2.96Å; D416-S419 PolarHBondContact O-N 2.98Å; D416-S419 VanDerWaalsContact O-N 3.11Å; D416-S419 PolarHBondContact O-OG 3.25Å; D416-S419 WeakPolarHBondContact OD2-CB 3.33Å; D416-S419 PolarHBondContact OD2-OG 3.33Å; V417-S419 PolarHBondContact O-N 3.43Å; S419-S422 WeakPolarHBondContact CA-OG 3.11Å; S419-S422 PolarHBondContact O-OG 3.47Å; S419-K423 WeakPolarHBondContact O-CB 3.42Å; S419-K423 VanDerWaalsContact O-CD 3.28Å; S419-K423 WeakPolarHBondContact O-CD 3.2Å; S419-K423 WeakPolarHBondContact O-CG 3.08Å; S419-K423 PolarHBondContact O-N 3.01Å |
| 420 | L | 29.5 | Very low | 47.4 | Very low | 83 Ų | 83 | 88.2 Ų | 88.2 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.7 | -42.3 | 169.6 | -67.8 | 173.4 | 0 | 0 | 0 | 111.2 | D416 V417 R424 | D416-L420 PolarHBondContact O-N 3.36Å; V417-L420 PolarHBondContact O-N 3.2Å; L420-R424 PolarHBondContact O-N 3.13Å; L420-R424 VanDerWaalsContact O-N 3.09Å |
| 421 | V | 33.1 | Very low | 50.3 | Low | 79 Ų | 79 | 83.4 Ų | 83.4 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -47 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | V417 A418 K423 R424 E425 | V417-V421 PolarHBondContact O-N 3.01Å; A418-V421 PolarHBondContact O-N 2.78Å; V421-K423 VanDerWaalsContact C-N 3.33Å; V421-K423 PolarHBondContact O-N 2.85Å; V421-R424 WeakPolarHBondContact O-CB 3.21Å; V421-R424 PolarHBondContact O-N 2.98Å; V421-E425 PolarHBondContact O-N 3.42Å |
| 422 | S | 39.7 | Very low | 53.3 | Low | 43 Ų | 43 | 83.1 Ų | 83.1 | 30% | 0.301 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 177.5 | 81.1 | 0 | 0 | 0 | 0 | 112.1 | A418 S419 R424 E425 E426 | A418-S422 PolarHBondContact O-N 2.83Å; S419-S422 WeakPolarHBondContact CA-OG 3.11Å; S419-S422 PolarHBondContact O-OG 3.47Å; S422-R424 VanDerWaalsContact C-N 3.3Å; S422-R424 PolarHBondContact O-N 3.14Å; S422-E425 PolarHBondContact O-N 2.71Å; S422-E426 WeakPolarHBondContact O-CB 3.25Å; S422-E426 WeakPolarHBondContact O-CG 3.23Å; S422-E426 PolarHBondContact O-N 3.12Å |
| 423 | K | 61.5 | Low | 56.1 | Low | 112 Ų | 112 | 82 Ų | 82 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.6 | -35.7 | 174.2 | -79.1 | 168.2 | -169.3 | 162.6 | 0 | 112.3 | S419 V421 T427 | S419-K423 WeakPolarHBondContact O-CB 3.42Å; S419-K423 VanDerWaalsContact O-CD 3.28Å; S419-K423 WeakPolarHBondContact O-CD 3.2Å; S419-K423 WeakPolarHBondContact O-CG 3.08Å; S419-K423 PolarHBondContact O-N 3.01Å; V421-K423 VanDerWaalsContact C-N 3.33Å; V421-K423 PolarHBondContact O-N 2.85Å; K423-T427 WeakPolarHBondContact O-CB 3.49Å; K423-T427 PolarHBondContact O-N 3.11Å; K423-T427 PolarHBondContact O-OG1 3.41Å |
| 424 | R | 58.1 | Low | 59.2 | Low | 136 Ų | 136 | 78.2 Ų | 78.2 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.1 | -49 | 177.2 | -174.6 | 179.2 | 177.1 | 163.3 | 2.9 | 110.9 | S392 L420 V421 S422 E426 T427 E428 | S392-R424 PolarHBondContact OG-NH1 3.34Å; S392-R424 VanDerWaalsContact OG-NH1 3.11Å; L420-R424 PolarHBondContact O-N 3.13Å; L420-R424 VanDerWaalsContact O-N 3.09Å; V421-R424 WeakPolarHBondContact O-CB 3.21Å; V421-R424 PolarHBondContact O-N 2.98Å; S422-R424 VanDerWaalsContact C-N 3.3Å; S422-R424 PolarHBondContact O-N 3.14Å; R424-E426 PolarHBondContact O-N 3.09Å; R424-T427 WeakPolarHBondContact O-CB 3.25Å; R424-T427 PolarHBondContact O-N 3.12Å; R424-T427 VanDerWaalsContact O-N 3.1Å; R424-E428 PolarHBondContact O-N 3.36Å |
| 425 | E | 57.1 | Low | 62.2 | Low | 121 Ų | 121 | 74.2 Ų | 74.2 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60 | -46.3 | 176.8 | -69.7 | 177.2 | 175.7 | 0 | 0 | 111.4 | V421 S422 T427 E428 V429 | V421-E425 PolarHBondContact O-N 3.42Å; S422-E425 PolarHBondContact O-N 2.71Å; E425-T427 PolarHBondContact O-N 3.2Å; E425-E428 PolarHBondContact O-N 3.06Å; E425-V429 WeakPolarHBondContact O-CB 2.95Å; E425-V429 VanDerWaalsContact O-CG2 3.22Å; E425-V429 WeakPolarHBondContact O-CG2 3.08Å; E425-V429 PolarHBondContact O-N 3.45Å |
| 426 | E | 72.4 | Confident | 65.3 | Low | 127 Ų | 127 | 74.3 Ų | 74.3 | 59% | 0.593 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.7 | -36.7 | 174.4 | -75.6 | 171.5 | -160.3 | 0 | 0 | 112.2 | S422 R424 A430 | S422-E426 WeakPolarHBondContact O-CB 3.25Å; S422-E426 WeakPolarHBondContact O-CG 3.23Å; S422-E426 PolarHBondContact O-N 3.12Å; R424-E426 PolarHBondContact O-N 3.09Å; E426-A430 WeakPolarHBondContact O-CB 3.36Å; E426-A430 PolarHBondContact O-N 3.33Å |
| 427 | T | 80 | Confident | 68.3 | Low | 51 Ų | 51 | 70.3 Ų | 70.3 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.9 | -44.4 | -179 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | P386 K423 R424 E425 A430 V431 | P386-T427 HydrophobicContact CB-CG2 3.13Å; P386-T427 HydrophobicContact CG-CG2 3.89Å; K423-T427 WeakPolarHBondContact O-CB 3.49Å; K423-T427 PolarHBondContact O-N 3.11Å; K423-T427 PolarHBondContact O-OG1 3.41Å; R424-T427 WeakPolarHBondContact O-CB 3.25Å; R424-T427 PolarHBondContact O-N 3.12Å; R424-T427 VanDerWaalsContact O-N 3.1Å; E425-T427 PolarHBondContact O-N 3.2Å; T427-A430 PolarHBondContact O-N 3.11Å; T427-V431 WeakPolarHBondContact O-CG2 3.31Å; T427-V431 PolarHBondContact O-N 3.13Å |
| 428 | E | 83.8 | Confident | 71.3 | Confident | 117 Ų | 117 | 64.9 Ų | 64.9 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 176.9 | -173.9 | 175.3 | 170.8 | 0 | 0 | 111.4 | R424 E425 A430 V431 N432 | R424-E428 PolarHBondContact O-N 3.36Å; E425-E428 PolarHBondContact O-N 3.06Å; E428-A430 VanDerWaalsContact C-N 3.28Å; E428-A430 PolarHBondContact O-N 2.92Å; E428-V431 PolarHBondContact O-N 3.3Å; E428-N432 PolarHBondContact O-N 2.88Å; E428-N432 PolarHBondContact O-ND2 3.39Å |
| 429 | V | 86.4 | Confident | 74.5 | Confident | 100 Ų | 100 | 65 Ų | 65 | 61% | 0.606 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.2 | -41.4 | 174.2 | 171 | 0 | 0 | 0 | 0 | 111.1 | E425 S433 | E425-V429 WeakPolarHBondContact O-CB 2.95Å; E425-V429 VanDerWaalsContact O-CG2 3.22Å; E425-V429 WeakPolarHBondContact O-CG2 3.08Å; E425-V429 PolarHBondContact O-N 3.45Å; V429-S433 VanDerWaalsContact O-CB 3.31Å; V429-S433 WeakPolarHBondContact O-CB 3.29Å; V429-S433 PolarHBondContact O-N 3.33Å |
| 430 | A | 88 | Confident | 77.5 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E426 T427 E428 S433 H434 | E426-A430 WeakPolarHBondContact O-CB 3.36Å; E426-A430 PolarHBondContact O-N 3.33Å; T427-A430 PolarHBondContact O-N 3.11Å; E428-A430 VanDerWaalsContact C-N 3.28Å; E428-A430 PolarHBondContact O-N 2.92Å; A430-S433 PolarHBondContact O-N 2.94Å; A430-H434 PolarHBondContact O-CD2 3.1Å; A430-H434 PolarHBondContact O-CE1 3.09Å; A430-H434 PolarHBondContact O-N 3.19Å; A430-H434 PolarHBondContact O-ND1 2.85Å; A430-H434 PolarHBondContact O-NE2 2.82Å |
| 431 | V | 92.9 | Very high | 80.3 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 178.8 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | F384 P386 T427 E428 S433 H434 E435 | F384-V431 HydrophobicContact CB-CG1 3.99Å; P386-V431 HydrophobicContact CB-CG2 4.23Å; P386-V431 HydrophobicContact CG-CG2 4.45Å; T427-V431 WeakPolarHBondContact O-CG2 3.31Å; T427-V431 PolarHBondContact O-N 3.13Å; E428-V431 PolarHBondContact O-N 3.3Å; V431-S433 VanDerWaalsContact C-N 3.32Å; V431-S433 PolarHBondContact O-N 2.79Å; V431-H434 WeakPolarHBondContact O-CB 3.41Å; V431-H434 PolarHBondContact O-N 3.01Å; V431-E435 PolarHBondContact O-N 3.29Å |
| 432 | N | 92.9 | Very high | 83 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.8 | -69.9 | -21.1 | 0 | 0 | 0 | 111.6 | E428 H434 E435 T436 | E428-N432 PolarHBondContact O-N 2.88Å; E428-N432 PolarHBondContact O-ND2 3.39Å; N432-H434 VanDerWaalsContact C-N 3.28Å; N432-H434 PolarHBondContact O-N 3.43Å; N432-E435 PolarHBondContact O-N 3.26Å; N432-T436 PolarHBondContact O-N 3.45Å; N432-T436 PolarHBondContact O-OG1 3.25Å; N432-T436 VanDerWaalsContact O-OG1 3.08Å |
| 433 | S | 93.3 | Very high | 85.2 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 43% | 0.434 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 175 | 174.6 | 0 | 0 | 0 | 0 | 112.6 | V429 A430 V431 A437 | V429-S433 VanDerWaalsContact O-CB 3.31Å; V429-S433 WeakPolarHBondContact O-CB 3.29Å; V429-S433 PolarHBondContact O-N 3.33Å; A430-S433 PolarHBondContact O-N 2.94Å; V431-S433 VanDerWaalsContact C-N 3.32Å; V431-S433 PolarHBondContact O-N 2.79Å; S433-A437 VanDerWaalsContact O-CB 3.28Å; S433-A437 WeakPolarHBondContact O-CB 2.92Å; S433-A437 PolarHBondContact O-N 2.92Å |
| 434 | H | 95 | Very high | 86 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.028 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 177.1 | -57.4 | 159.5 | 0 | 0 | 0 | 111.1 | H346 C347 A353 F384 A430 V431 N432 A437 W438 | H346-H434 AromaticContact CE1-CE1 3.69Å; H346-H434 AromaticContact ND1-CE1 3.44Å; H346-H434 PolarHBondContact ND1-CE1 3.07Å; H346-H434 AromaticContact ND1-ND1 3.57Å; C347-H434 PolarHBondContact N-CE1 3.43Å; C347-H434 VanDerWaalsContact N-CE1 3.31Å; C347-H434 PolarHBondContact O-CE1 2.96Å; C347-H434 PolarHBondContact O-NE2 3.44Å; C347-H434 PolarHBondContact SG-NE2 2.95Å; A353-H434 HydrophobicContact CB-CB 4.14Å; A353-H434 WeakPolarHBondContact CB-CD2 3.23Å; F384-H434 HydrophobicContact CD1-CB 3.55Å; F384-H434 HydrophobicContact CE1-CB 4.02Å; F384-H434 HydrophobicContact CG-CB 4.23Å; A430-H434 PolarHBondContact O-CD2 3.1Å; A430-H434 PolarHBondContact O-CE1 3.09Å; A430-H434 PolarHBondContact O-N 3.19Å; A430-H434 PolarHBondContact O-ND1 2.85Å; A430-H434 PolarHBondContact O-NE2 2.82Å; V431-H434 WeakPolarHBondContact O-CB 3.41Å; V431-H434 PolarHBondContact O-N 3.01Å; N432-H434 VanDerWaalsContact C-N 3.28Å; N432-H434 PolarHBondContact O-N 3.43Å; H434-A437 PolarHBondContact O-N 2.95Å; H434-W438 PolarHBondContact O-N 2.95Å |
| 435 | E | 95.4 | Very high | 86.7 | Confident | 45 Ų | 45 | 62 Ų | 62 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 175.4 | 173.5 | 167.7 | -148.4 | 0 | 0 | 111.5 | F384 V431 N432 A437 W438 L439 T450 S452 | F384-E435 HydrophobicContact CD2-CB 3.88Å; F384-E435 HydrophobicContact CD2-CG 4.45Å; F384-E435 HydrophobicContact CE2-CB 4.37Å; F384-E435 HydrophobicContact CG-CB 4.38Å; V431-E435 PolarHBondContact O-N 3.29Å; N432-E435 PolarHBondContact O-N 3.26Å; E435-A437 VanDerWaalsContact C-N 3.34Å; E435-A437 PolarHBondContact O-N 3.14Å; E435-W438 WeakPolarHBondContact O-CB 3.46Å; E435-W438 PolarHBondContact O-N 2.91Å; E435-W438 VanDerWaalsContact O-N 3.13Å; E435-L439 HydrophobicContact CG-CD1 3.93Å; E435-L439 HydrophobicContact CG-CG 4.38Å; E435-L439 WeakPolarHBondContact O-CG 3.2Å; E435-L439 PolarHBondContact O-N 3.1Å; E435-T450 HydrophobicContact CG-CG2 3.83Å; E435-S452 VanDerWaalsContact CD-OG 3.28Å; E435-S452 WeakPolarHBondContact OE2-CB 3.31Å; E435-S452 PolarHBondContact OE2-OG 3.25Å |
| 436 | T | 95 | Very high | 87.4 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | N432 W438 L439 D440 | N432-T436 PolarHBondContact O-N 3.45Å; N432-T436 PolarHBondContact O-OG1 3.25Å; N432-T436 VanDerWaalsContact O-OG1 3.08Å; T436-W438 PolarHBondContact O-N 3.03Å; T436-L439 PolarHBondContact O-N 3.2Å; T436-D440 WeakPolarHBondContact O-CB 3.25Å; T436-D440 VanDerWaalsContact O-CG 3.27Å; T436-D440 PolarHBondContact O-N 2.86Å |
| 437 | A | 93.8 | Very high | 88 | Confident | 6 Ų | 6 | 59 Ų | 59 | 5% | 0.05 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -31.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | A353 K354 L357 S433 H434 E435 L441 | A353-A437 HydrophobicContact CB-CB 4Å; K354-A437 HydrophobicContact CG-CB 3.66Å; L357-A437 HydrophobicContact CD1-CB 4.05Å; S433-A437 VanDerWaalsContact O-CB 3.28Å; S433-A437 WeakPolarHBondContact O-CB 2.92Å; S433-A437 PolarHBondContact O-N 2.92Å; H434-A437 PolarHBondContact O-N 2.95Å; E435-A437 VanDerWaalsContact C-N 3.34Å; E435-A437 PolarHBondContact O-N 3.14Å; A437-L441 WeakPolarHBondContact O-CB 3.31Å; A437-L441 PolarHBondContact O-N 2.77Å |
| 438 | W | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.8 | -48.7 | 173.9 | -178.5 | -100.3 | 0 | 0 | 0 | 112 | L343 L357 I361 C377 F379 A382 F384 H434 E435 T436 D440 L441 I442 T450 | L343-W438 HydrophobicContact CD2-CE3 4.08Å; L343-W438 HydrophobicContact CD2-CH2 3.61Å; L343-W438 HydrophobicContact CD2-CZ2 4.31Å; L343-W438 HydrophobicContact CD2-CZ3 3.48Å; L343-W438 VanDerWaalsContact CD2-CZ3 3.48Å; L357-W438 HydrophobicContact CB-CE3 4.28Å; L357-W438 HydrophobicContact CD1-CB 3.98Å; L357-W438 HydrophobicContact CD1-CE3 4.21Å; L357-W438 HydrophobicContact CD2-CE3 3.89Å; L357-W438 HydrophobicContact CD2-CZ3 4.29Å; L357-W438 HydrophobicContact CG-CE3 4.35Å; I361-W438 HydrophobicContact CD1-CE3 4.39Å; I361-W438 HydrophobicContact CD1-CH2 3.71Å; I361-W438 HydrophobicContact CD1-CZ2 4.3Å; I361-W438 HydrophobicContact CD1-CZ3 3.76Å; I361-W438 HydrophobicContact CG1-CH2 3.88Å; I361-W438 HydrophobicContact CG1-CZ3 4.04Å; C377-W438 HydrophobicContact CB-CH2 4.49Å; C377-W438 HydrophobicContact CB-CZ2 4.32Å; F379-W438 HydrophobicContact CD2-CH2 4.03Å; A382-W438 HydrophobicContact CB-CD2 4.04Å; A382-W438 HydrophobicContact CB-CG 4.28Å; A382-W438 HydrophobicContact CB-CZ2 3.7Å; F384-W438 HydrophobicContact CE1-CB 4.28Å; F384-W438 HydrophobicContact CE2-CB 3.75Å; F384-W438 AromaticContact CE2-CG 3.88Å; F384-W438 HydrophobicContact CE2-CG 3.88Å; F384-W438 HydrophobicContact CZ-CB 3.32Å; F384-W438 HydrophobicContact CZ-CD2 4.01Å; F384-W438 HydrophobicContact CZ-CE3 4.44Å; F384-W438 AromaticContact CZ-CG 3.52Å; F384-W438 HydrophobicContact CZ-CG 3.52Å; H434-W438 PolarHBondContact O-N 2.95Å; E435-W438 WeakPolarHBondContact O-CB 3.46Å; E435-W438 PolarHBondContact O-N 2.91Å; E435-W438 VanDerWaalsContact O-N 3.13Å; T436-W438 PolarHBondContact O-N 3.03Å; W438-D440 VanDerWaalsContact C-N 3.3Å; W438-D440 PolarHBondContact O-N 3.21Å; W438-L441 HydrophobicContact CE3-CD2 4.36Å; W438-L441 CarbonylContact O-C 3.44Å; W438-L441 WeakPolarHBondContact O-CA 3.46Å; W438-L441 WeakPolarHBondContact O-CB 3.41Å; W438-L441 PolarHBondContact O-N 3.23Å; W438-I442 HydrophobicContact CD2-CG2 4.24Å; W438-I442 HydrophobicContact CH2-CG2 4.49Å; W438-I442 HydrophobicContact CZ2-CG2 3.9Å; W438-I442 VanDerWaalsContact O-CG1 3.29Å; W438-I442 WeakPolarHBondContact O-CG1 3.3Å; W438-I442 PolarHBondContact O-N 3.27Å; W438-T450 VanDerWaalsContact CD1-OG1 3.29Å; W438-T450 PolarHBondContact NE1-OG1 2.87Å |
| 439 | L | 93.5 | Very high | 88.9 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 179.3 | -69.6 | 172.7 | 0 | 0 | 0 | 112 | E435 T436 L441 I442 S443 T450 | E435-L439 HydrophobicContact CG-CD1 3.93Å; E435-L439 HydrophobicContact CG-CG 4.38Å; E435-L439 WeakPolarHBondContact O-CG 3.2Å; E435-L439 PolarHBondContact O-N 3.1Å; T436-L439 PolarHBondContact O-N 3.2Å; L439-L441 VanDerWaalsContact C-N 3.25Å; L439-L441 PolarHBondContact O-N 3.37Å; L439-I442 PolarHBondContact O-N 3.31Å; L439-S443 PolarHBondContact O-N 3.34Å; L439-T450 HydrophobicContact CD2-CG2 4.28Å; L439-T450 HydrophobicContact CG-CG2 4.48Å |
| 440 | D | 92.5 | Very high | 89.3 | Confident | 96 Ų | 96 | 54.5 Ų | 54.5 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 173 | -72.3 | -13.1 | 0 | 0 | 0 | 111.5 | K354 T436 W438 | K354-D440 IonicContact NZ-OD2 2.88Å; T436-D440 WeakPolarHBondContact O-CB 3.25Å; T436-D440 VanDerWaalsContact O-CG 3.27Å; T436-D440 PolarHBondContact O-N 2.86Å; W438-D440 VanDerWaalsContact C-N 3.3Å; W438-D440 PolarHBondContact O-N 3.21Å |
| 441 | L | 88.8 | Confident | 89.7 | Confident | 61 Ų | 61 | 57.7 Ų | 57.7 | 32% | 0.319 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -77.7 | -28.3 | -176.3 | 177.7 | 65.8 | 0 | 0 | 0 | 113 | L357 P358 I361 A437 W438 L439 | L357-L441 HydrophobicContact CB-CD2 3.81Å; P358-L441 HydrophobicContact CB-CD1 3.98Å; P358-L441 HydrophobicContact CB-CD2 4.32Å; P358-L441 HydrophobicContact CG-CD1 4.1Å; P358-L441 HydrophobicContact CG-CD2 4.16Å; I361-L441 HydrophobicContact CD1-CD2 3.64Å; I361-L441 HydrophobicContact CD1-CG 3.69Å; A437-L441 WeakPolarHBondContact O-CB 3.31Å; A437-L441 PolarHBondContact O-N 2.77Å; W438-L441 HydrophobicContact CE3-CD2 4.36Å; W438-L441 CarbonylContact O-C 3.44Å; W438-L441 WeakPolarHBondContact O-CA 3.46Å; W438-L441 WeakPolarHBondContact O-CB 3.41Å; W438-L441 PolarHBondContact O-N 3.23Å; L439-L441 VanDerWaalsContact C-N 3.25Å; L439-L441 PolarHBondContact O-N 3.37Å |
| 442 | I | 88.1 | Confident | 89.8 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.062 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 20.3 | 179.8 | 66.2 | 151.1 | 0 | 0 | 0 | 113.5 | I361 C377 W438 L439 D444 C445 C448 | I361-I442 HydrophobicContact CD1-CG2 3.49Å; I361-I442 VanDerWaalsContact CD1-CG2 3.49Å; C377-I442 HydrophobicContact CB-CG2 3.83Å; W438-I442 HydrophobicContact CD2-CG2 4.24Å; W438-I442 HydrophobicContact CH2-CG2 4.49Å; W438-I442 HydrophobicContact CZ2-CG2 3.9Å; W438-I442 VanDerWaalsContact O-CG1 3.29Å; W438-I442 WeakPolarHBondContact O-CG1 3.3Å; W438-I442 PolarHBondContact O-N 3.27Å; L439-I442 PolarHBondContact O-N 3.31Å; I442-D444 PolarHBondContact O-N 2.94Å; I442-C445 HydrophobicContact CB-CB 4.26Å; I442-C445 CarbonylContact O-C 3.58Å; I442-C445 WeakPolarHBondContact O-CA 3.4Å; I442-C445 PolarHBondContact O-N 3.48Å; I442-C448 HydrophobicContact CD1-CB 3.78Å |
| 443 | S | 86.4 | Confident | 89.9 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -34 | -179.9 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | L439 C445 | L439-S443 PolarHBondContact O-N 3.34Å; S443-C445 VanDerWaalsContact C-N 3.34Å |
| 444 | D | 78.2 | Confident | 89.8 | Confident | 136 Ų | 136 | 58.1 Ų | 58.1 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 5 | -177.8 | -57.3 | -11.9 | 0 | 0 | 0 | 112.9 | I442 | I442-D444 PolarHBondContact O-N 2.94Š|
| 445 | C | 73.5 | Confident | 89.6 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 10% | 0.101 | 33% | 0.326 | C | S | . | . | trans | -134.9 | 71.2 | -174 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | R376 I442 S443 S447 | R376-C445 WeakPolarHBondContact CB-SG 3.31Å; I442-C445 HydrophobicContact CB-CB 4.26Å; I442-C445 CarbonylContact O-C 3.58Å; I442-C445 WeakPolarHBondContact O-CA 3.4Å; I442-C445 PolarHBondContact O-N 3.48Å; S443-C445 VanDerWaalsContact C-N 3.34Å; C445-S447 PolarHBondContact O-N 2.9Å | ||
| 446 | P | 72.6 | Confident | 89.4 | Confident | 127 Ų | 127 | 55.7 Ų | 55.7 | 83% | 0.825 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -3.7 | -172.9 | 29.3 | -36.2 | 0 | 0 | 0 | 114.7 | ||
| 447 | S | 83.3 | Confident | 89.4 | Confident | 60 Ų | 60 | 54.5 Ų | 54.5 | 42% | 0.42 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -15.5 | -177.1 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | N375 C445 | N375-S447 WeakPolarHBondContact CB-OG 3.36Å; N375-S447 PolarHBondContact ND2-OG 3.06Å; N375-S447 PolarHBondContact OD1-OG 2.86Å; C445-S447 PolarHBondContact O-N 2.9Å |
| 448 | C | 89.7 | Confident | 89.5 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -82 | 115.2 | 176.5 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | C377 F379 I442 T450 | C377-C448 VanDerWaalsContact SG-CB 3.56Å; F379-C448 WeakPolarHBondContact O-CB 3.16Å; F379-C448 PolarHBondContact O-SG 3.32Å; I442-C448 HydrophobicContact CD1-CB 3.78Å; C448-T450 PolarHBondContact O-N 3.2Å |
| 449 | K | 93.1 | Very high | 89.6 | Confident | 131 Ų | 131 | 56.8 Ų | 56.8 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.8 | 175.7 | -68.4 | 178.1 | -179 | 178.1 | 0 | 109.9 | Q380 Y381 A382 | Q380-K449 PolarHBondContact O-N 2.94Å; Y381-K449 CarbonylContact C-O 3.6Å; Y381-K449 VanDerWaalsContact CA-O 3.25Å; Y381-K449 WeakPolarHBondContact CA-O 3.05Å; Y381-K449 HydrophobicContact CD1-CB 3.7Å; Y381-K449 HydrophobicContact CD1-CD 4.24Å; Y381-K449 HydrophobicContact CE1-CB 3.85Å; Y381-K449 HydrophobicContact CE1-CD 3.5Å; Y381-K449 VanDerWaalsContact CE1-CD 3.5Å; Y381-K449 HydrophobicContact CE1-CG 4.28Å; A382-K449 PolarHBondContact N-O 3.05Å |
| 450 | T | 94.9 | Very high | 89.8 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 20% | 0.202 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.9 | -179 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | A382 F384 E435 W438 L439 C448 | A382-T450 WeakPolarHBondContact O-CA 3.49Å; F384-T450 HydrophobicContact CD2-CG2 3.98Å; F384-T450 HydrophobicContact CE2-CG2 3.63Å; E435-T450 HydrophobicContact CG-CG2 3.83Å; W438-T450 VanDerWaalsContact CD1-OG1 3.29Å; W438-T450 PolarHBondContact NE1-OG1 2.87Å; L439-T450 HydrophobicContact CD2-CG2 4.28Å; L439-T450 HydrophobicContact CG-CG2 4.48Å; C448-T450 PolarHBondContact O-N 3.2Å |
| 451 | K | 96.3 | Very high | 89.9 | Confident | 94 Ų | 94 | 51.9 Ų | 51.9 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 136.5 | 176.5 | -172.9 | 170 | 176.9 | -178.7 | 0 | 112.7 | A382 L383 F384 F453 F462 | A382-K451 PolarHBondContact O-N 3.23Å; L383-K451 VanDerWaalsContact CA-O 3.3Å; L383-K451 WeakPolarHBondContact CA-O 3.42Å; L383-K451 HydrophobicContact CD2-CB 4.22Å; F384-K451 PolarHBondContact N-O 3.45Å; K451-F453 HydrophobicContact CB-CE2 3.91Å; K451-F453 HydrophobicContact CB-CZ 4.4Å; K451-F453 HydrophobicContact CD-CE1 4.27Å; K451-F453 HydrophobicContact CD-CE2 3.94Å; K451-F453 HydrophobicContact CD-CZ 3.59Å; K451-F453 HydrophobicContact CG-CD2 4.32Å; K451-F453 HydrophobicContact CG-CE2 3.67Å; K451-F453 HydrophobicContact CG-CZ 3.88Å; K451-F462 HydrophobicContact CD-CE2 4.4Å; K451-F462 HydrophobicContact CD-CZ 4.35Å |
| 452 | S | 96.4 | Very high | 90.3 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 150.3 | 171.5 | -70.7 | 0 | 0 | 0 | 0 | 112.9 | F384 E435 | F384-S452 CarbonylContact O-C 3.54Å; F384-S452 WeakPolarHBondContact O-CA 3.5Å; E435-S452 VanDerWaalsContact CD-OG 3.28Å; E435-S452 WeakPolarHBondContact OE2-CB 3.31Å; E435-S452 PolarHBondContact OE2-OG 3.25Å |
| 453 | F | 95.3 | Very high | 90.7 | Very high | 23 Ų | 23 | 51 Ų | 51 | 10% | 0.101 | 28% | 0.284 | C | S | . | . | trans | -136.1 | 158.8 | -177.7 | -65.9 | -97.3 | 0 | 0 | 0 | 111.1 | L383 F384 P386 K451 D458 V459 F462 | L383-F453 HydrophobicContact CB-CD2 4.35Å; L383-F453 HydrophobicContact CB-CE2 4Å; L383-F453 HydrophobicContact CD1-CE2 4.36Å; L383-F453 HydrophobicContact CD2-CE2 3.91Å; L383-F453 HydrophobicContact CD2-CZ 4.5Å; L383-F453 HydrophobicContact CG-CE2 4.29Å; F384-F453 PolarHBondContact O-N 2.92Å; P386-F453 WeakPolarHBondContact CD-O 3.16Å; K451-F453 HydrophobicContact CB-CE2 3.91Å; K451-F453 HydrophobicContact CB-CZ 4.4Å; K451-F453 HydrophobicContact CD-CE1 4.27Å; K451-F453 HydrophobicContact CD-CE2 3.94Å; K451-F453 HydrophobicContact CD-CZ 3.59Å; K451-F453 HydrophobicContact CG-CD2 4.32Å; K451-F453 HydrophobicContact CG-CE2 3.67Å; K451-F453 HydrophobicContact CG-CZ 3.88Å; F453-D458 HydrophobicContact CD1-CB 3.69Å; F453-D458 HydrophobicContact CE1-CB 4.42Å; F453-V459 HydrophobicContact CB-CG2 3.66Å; F453-V459 HydrophobicContact CD1-CG2 4.2Å; F453-V459 HydrophobicContact CD2-CG2 3.71Å; F453-V459 HydrophobicContact CE2-CG2 4.39Å; F453-V459 HydrophobicContact CG-CG2 3.6Å; F453-F462 HydrophobicContact CE1-CB 3.78Å; F453-F462 HydrophobicContact CE1-CG 4.06Å; F453-F462 HydrophobicContact CE2-CD1 4.41Å; F453-F462 HydrophobicContact CZ-CB 3.73Å; F453-F462 AromaticContact CZ-CD1 3.65Å; F453-F462 HydrophobicContact CZ-CD1 3.65Å; F453-F462 HydrophobicContact CZ-CD2 4.2Å; F453-F462 HydrophobicContact CZ-CE1 4.27Å; F453-F462 AromaticContact CZ-CG 3.59Å; F453-F462 HydrophobicContact CZ-CG 3.59Å | ||
| 454 | T | 91.1 | Very high | 91.1 | Very high | 94 Ų | 94 | 49.9 Ų | 49.9 | 58% | 0.577 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -91.3 | -19.4 | -179.6 | 41.1 | 0 | 0 | 0 | 0 | 114 | P386 D458 | P386-T454 WeakPolarHBondContact CG-O 3.37Å; T454-D458 PolarHBondContact OG1-OD2 2.85Å; T454-D458 VanDerWaalsContact OG1-OD2 3.09Å |
| 455 | C | 90.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -158.3 | 164.2 | 178.1 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | S385 A388 N457 D458 V459 | S385-C455 PolarHBondContact OG-O 2.84Å; A388-C455 CarbonylContact O-C 3.44Å; A388-C455 WeakPolarHBondContact O-CA 3.46Å; A388-C455 WeakPolarHBondContact O-CB 3.44Å; C455-N457 VanDerWaalsContact C-N 3.35Å; C455-N457 PolarHBondContact O-N 3.3Å; C455-D458 PolarHBondContact O-N 2.76Å; C455-D458 PolarHBondContact SG-OD2 2.93Å; C455-V459 PolarHBondContact O-N 2.88Å |
| 456 | V | 91.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -36.9 | -179.6 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | S385 P386 A388 D458 V459 Y460 L488 F492 F495 | S385-V456 PolarHBondContact OG-N 3.18Å; P386-V456 WeakPolarHBondContact O-CG2 3.04Å; A388-V456 WeakPolarHBondContact O-CG2 3.48Å; A388-V456 PolarHBondContact O-N 3Å; V456-D458 VanDerWaalsContact C-N 3.28Å; V456-D458 PolarHBondContact O-N 2.72Å; V456-V459 WeakPolarHBondContact O-CB 3.42Å; V456-V459 PolarHBondContact O-N 3.39Å; V456-Y460 WeakPolarHBondContact O-CB 3.25Å; V456-Y460 PolarHBondContact O-N 3.07Å; V456-L488 HydrophobicContact CG2-CD1 3.78Å; V456-F492 HydrophobicContact CG1-CD2 3.47Å; V456-F492 VanDerWaalsContact CG1-CD2 3.47Å; V456-F492 HydrophobicContact CG1-CE2 3.53Å; V456-F492 HydrophobicContact CG1-CG 4.04Å; V456-F492 HydrophobicContact CG1-CZ 4.14Å; V456-F495 HydrophobicContact CB-CE2 4.36Å; V456-F495 HydrophobicContact CG1-CD2 4.32Å; V456-F495 HydrophobicContact CG1-CE2 3.92Å |
| 457 | N | 94.3 | Very high | 93.6 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 26% | 0.262 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.6 | -40.9 | 177.4 | -179.8 | 64.7 | 0 | 0 | 0 | 112.2 | T389 C455 Y460 N461 F495 | T389-N457 WeakPolarHBondContact O-CB 3.03Å; T389-N457 PolarHBondContact O-N 3.19Å; C455-N457 VanDerWaalsContact C-N 3.35Å; C455-N457 PolarHBondContact O-N 3.3Å; N457-Y460 PolarHBondContact O-N 3.28Å; N457-N461 PolarHBondContact ND2-ND2 3.28Å; N457-N461 WeakPolarHBondContact O-CB 3.35Å; N457-N461 VanDerWaalsContact O-CG 3.29Å; N457-N461 PolarHBondContact O-N 2.88Å; N457-N461 PolarHBondContact O-ND2 3.23Å; N457-N461 PolarHBondContact OD1-ND2 3.43Å; N457-F495 HydrophobicContact CB-CZ 3.88Å |
| 458 | D | 96 | Very high | 93.9 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 179.3 | -59.7 | -30.5 | 0 | 0 | 0 | 111.7 | F453 T454 C455 V456 N461 F462 | F453-D458 HydrophobicContact CD1-CB 3.69Å; F453-D458 HydrophobicContact CE1-CB 4.42Å; T454-D458 PolarHBondContact OG1-OD2 2.85Å; T454-D458 VanDerWaalsContact OG1-OD2 3.09Å; C455-D458 PolarHBondContact O-N 2.76Å; C455-D458 PolarHBondContact SG-OD2 2.93Å; V456-D458 VanDerWaalsContact C-N 3.28Å; V456-D458 PolarHBondContact O-N 2.72Å; D458-N461 PolarHBondContact O-N 2.85Å; D458-F462 WeakPolarHBondContact O-CB 3.41Å; D458-F462 PolarHBondContact O-N 3.39Å |
| 459 | V | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 172.7 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | V344 L383 F453 C455 V456 N461 F462 V463 F492 | V344-V459 HydrophobicContact CG1-CG1 3.92Å; V344-V459 HydrophobicContact CG2-CG1 3.93Å; L383-V459 HydrophobicContact CB-CG1 4.16Å; L383-V459 HydrophobicContact CD1-CG1 3.69Å; F453-V459 HydrophobicContact CB-CG2 3.66Å; F453-V459 HydrophobicContact CD1-CG2 4.2Å; F453-V459 HydrophobicContact CD2-CG2 3.71Å; F453-V459 HydrophobicContact CE2-CG2 4.39Å; F453-V459 HydrophobicContact CG-CG2 3.6Å; C455-V459 PolarHBondContact O-N 2.88Å; V456-V459 WeakPolarHBondContact O-CB 3.42Å; V456-V459 PolarHBondContact O-N 3.39Å; V459-N461 VanDerWaalsContact C-N 3.32Å; V459-N461 PolarHBondContact O-N 3.02Å; V459-F462 PolarHBondContact O-N 3.49Å; V459-V463 HydrophobicContact CG1-CG2 4.3Å; V459-V463 WeakPolarHBondContact O-CB 3.32Å; V459-V463 VanDerWaalsContact O-CG2 3.32Å; V459-V463 WeakPolarHBondContact O-CG2 3.46Å; V459-V463 PolarHBondContact O-N 3.43Å; V459-F492 HydrophobicContact CB-CZ 4.23Å; V459-F492 HydrophobicContact CG1-CZ 3.82Å |
| 460 | Y | 95.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -41.9 | -179.3 | -174.9 | -110.5 | 0 | 0 | 0 | 111.5 | F306 V456 N457 V463 K464 F492 F495 L496 | F306-Y460 HydrophobicContact CE1-CD2 4.24Å; F306-Y460 HydrophobicContact CE1-CE2 4.23Å; F306-Y460 HydrophobicContact CE2-CE2 4.16Å; F306-Y460 AromaticContact CZ-CD2 3.99Å; F306-Y460 HydrophobicContact CZ-CD2 3.99Å; F306-Y460 AromaticContact CZ-CE2 3.6Å; F306-Y460 HydrophobicContact CZ-CE2 3.6Å; V456-Y460 WeakPolarHBondContact O-CB 3.25Å; V456-Y460 PolarHBondContact O-N 3.07Å; N457-Y460 PolarHBondContact O-N 3.28Å; Y460-V463 PolarHBondContact O-N 2.63Å; Y460-K464 HydrophobicContact CD1-CD 4.33Å; Y460-K464 HydrophobicContact CE1-CD 3.91Å; Y460-K464 WeakPolarHBondContact O-CG 3.33Å; Y460-K464 PolarHBondContact O-N 3.38Å; Y460-K464 VanDerWaalsContact O-N 3.08Å; Y460-F492 HydrophobicContact CD2-CD1 4.37Å; Y460-F492 HydrophobicContact CD2-CE1 4.25Å; Y460-F495 HydrophobicContact CD1-CB 4.47Å; Y460-F495 HydrophobicContact CD1-CG 4.44Å; Y460-F495 HydrophobicContact CE1-CB 4.26Å; Y460-L496 HydrophobicContact CE2-CD2 3.91Å; Y460-L496 HydrophobicContact CE2-CG 4.49Å |
| 461 | N | 95.9 | Very high | 92.4 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 174.2 | -70.4 | -37.3 | 0 | 0 | 0 | 112.2 | N457 D458 V459 V463 K464 E465 | N457-N461 PolarHBondContact ND2-ND2 3.28Å; N457-N461 WeakPolarHBondContact O-CB 3.35Å; N457-N461 VanDerWaalsContact O-CG 3.29Å; N457-N461 PolarHBondContact O-N 2.88Å; N457-N461 PolarHBondContact O-ND2 3.23Å; N457-N461 PolarHBondContact OD1-ND2 3.43Å; D458-N461 PolarHBondContact O-N 2.85Å; V459-N461 VanDerWaalsContact C-N 3.32Å; V459-N461 PolarHBondContact O-N 3.02Å; N461-V463 VanDerWaalsContact C-N 3.34Å; N461-V463 PolarHBondContact O-N 3.33Å; N461-K464 WeakPolarHBondContact O-CB 3.42Å; N461-K464 PolarHBondContact O-N 3.47Å; N461-K464 WeakPolarHBondContact OD1-CE 3.48Å; N461-K464 PolarHBondContact OD1-NZ 2.84Å; N461-E465 PolarHBondContact O-N 3.02Å; N461-E465 VanDerWaalsContact O-N 3.08Å |
| 462 | F | 96.8 | Very high | 91.1 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 176.4 | -176 | -105.6 | 0 | 0 | 0 | 112.7 | Y381 L383 K451 F453 D458 V459 K464 E465 I466 | Y381-F462 HydrophobicContact CD1-CE1 4.19Å; Y381-F462 HydrophobicContact CD1-CZ 4.48Å; Y381-F462 HydrophobicContact CE1-CE1 4.45Å; Y381-F462 HydrophobicContact CE1-CZ 4.36Å; L383-F462 HydrophobicContact CD1-CD1 3.83Å; L383-F462 HydrophobicContact CD1-CE1 4.27Å; L383-F462 HydrophobicContact CD2-CD1 4.05Å; L383-F462 HydrophobicContact CD2-CE1 3.74Å; K451-F462 HydrophobicContact CD-CE2 4.4Å; K451-F462 HydrophobicContact CD-CZ 4.35Å; F453-F462 HydrophobicContact CE1-CB 3.78Å; F453-F462 HydrophobicContact CE1-CG 4.06Å; F453-F462 HydrophobicContact CE2-CD1 4.41Å; F453-F462 HydrophobicContact CZ-CB 3.73Å; F453-F462 AromaticContact CZ-CD1 3.65Å; F453-F462 HydrophobicContact CZ-CD1 3.65Å; F453-F462 HydrophobicContact CZ-CD2 4.2Å; F453-F462 HydrophobicContact CZ-CE1 4.27Å; F453-F462 AromaticContact CZ-CG 3.59Å; F453-F462 HydrophobicContact CZ-CG 3.59Å; D458-F462 WeakPolarHBondContact O-CB 3.41Å; D458-F462 PolarHBondContact O-N 3.39Å; V459-F462 PolarHBondContact O-N 3.49Å; F462-K464 VanDerWaalsContact C-N 3.35Å; F462-K464 PolarHBondContact O-N 3.2Å; F462-E465 PolarHBondContact O-N 2.93Å; F462-I466 HydrophobicContact CD1-CD1 3.82Å; F462-I466 HydrophobicContact CE1-CD1 3.48Å; F462-I466 VanDerWaalsContact CE1-CD1 3.48Å; F462-I466 HydrophobicContact CE1-CG1 4.31Å; F462-I466 HydrophobicContact CZ-CD1 4.09Å; F462-I466 PolarHBondContact O-N 3.04Å |
| 463 | V | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 175.2 | 164.7 | 0 | 0 | 0 | 0 | 111.6 | I304 F306 I342 L383 V459 Y460 N461 I466 A467 V480 | I304-V463 HydrophobicContact CD1-CG1 3.94Å; I304-V463 HydrophobicContact CG2-CG1 4.13Å; F306-V463 HydrophobicContact CE1-CG1 4.07Å; F306-V463 HydrophobicContact CZ-CG1 4.04Å; I342-V463 HydrophobicContact CD1-CG1 4.39Å; I342-V463 HydrophobicContact CD1-CG2 4.08Å; I342-V463 HydrophobicContact CG2-CG2 4.31Å; L383-V463 HydrophobicContact CD1-CG2 3.88Å; V459-V463 HydrophobicContact CG1-CG2 4.3Å; V459-V463 WeakPolarHBondContact O-CB 3.32Å; V459-V463 VanDerWaalsContact O-CG2 3.32Å; V459-V463 WeakPolarHBondContact O-CG2 3.46Å; V459-V463 PolarHBondContact O-N 3.43Å; Y460-V463 PolarHBondContact O-N 2.63Å; N461-V463 VanDerWaalsContact C-N 3.34Å; N461-V463 PolarHBondContact O-N 3.33Å; V463-I466 PolarHBondContact O-N 3.33Å; V463-A467 PolarHBondContact O-N 3.44Å; V463-V480 HydrophobicContact CG1-CG2 3.73Å |
| 464 | K | 94.6 | Very high | 88.2 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 27% | 0.265 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174 | -73.3 | -177.6 | -61.4 | -179.9 | 0 | 112.6 | I304 Y460 N461 F462 A467 K468 | I304-K464 HydrophobicContact CD1-CG 4.26Å; Y460-K464 HydrophobicContact CD1-CD 4.33Å; Y460-K464 HydrophobicContact CE1-CD 3.91Å; Y460-K464 WeakPolarHBondContact O-CG 3.33Å; Y460-K464 PolarHBondContact O-N 3.38Å; Y460-K464 VanDerWaalsContact O-N 3.08Å; N461-K464 WeakPolarHBondContact O-CB 3.42Å; N461-K464 PolarHBondContact O-N 3.47Å; N461-K464 WeakPolarHBondContact OD1-CE 3.48Å; N461-K464 PolarHBondContact OD1-NZ 2.84Å; F462-K464 VanDerWaalsContact C-N 3.35Å; F462-K464 PolarHBondContact O-N 3.2Å; K464-A467 PolarHBondContact O-N 3.24Å; K464-K468 WeakPolarHBondContact O-CG 3.48Å; K464-K468 PolarHBondContact O-N 3.3Å |
| 465 | E | 94 | Very high | 87 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 176.5 | -66 | -51 | 123.9 | 0 | 0 | 112.3 | N461 F462 A467 K468 T469 | N461-E465 PolarHBondContact O-N 3.02Å; N461-E465 VanDerWaalsContact O-N 3.08Å; F462-E465 PolarHBondContact O-N 2.93Å; E465-A467 VanDerWaalsContact C-N 3.34Å; E465-K468 IonicContact OE1-NZ 2.72Å; E465-K468 PolarHBondContact OE1-NZ 3.06Å; E465-K468 IonicContact OE2-NZ 3.78Å; E465-T469 PolarHBondContact O-N 3.39Å; E465-T469 PolarHBondContact O-OG1 2.77Å |
| 466 | I | 92.2 | Very high | 86.3 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 170.2 | -66.8 | 168.1 | 0 | 0 | 0 | 110.1 | V340 I342 Y381 F462 V463 K468 T469 V470 | V340-I466 HydrophobicContact CG1-CG2 4.26Å; I342-I466 HydrophobicContact CD1-CB 4.39Å; I342-I466 HydrophobicContact CD1-CD1 3.73Å; I342-I466 HydrophobicContact CD1-CG2 4.15Å; Y381-I466 HydrophobicContact CD1-CD1 3.92Å; Y381-I466 HydrophobicContact CD2-CD1 3.91Å; Y381-I466 HydrophobicContact CE1-CD1 3.89Å; Y381-I466 HydrophobicContact CE2-CD1 3.89Å; Y381-I466 HydrophobicContact CE2-CG1 4.4Å; Y381-I466 HydrophobicContact CE2-CG2 4.21Å; Y381-I466 HydrophobicContact CG-CD1 3.94Å; F462-I466 HydrophobicContact CD1-CD1 3.82Å; F462-I466 HydrophobicContact CE1-CD1 3.48Å; F462-I466 VanDerWaalsContact CE1-CD1 3.48Å; F462-I466 HydrophobicContact CE1-CG1 4.31Å; F462-I466 HydrophobicContact CZ-CD1 4.09Å; F462-I466 PolarHBondContact O-N 3.04Å; V463-I466 PolarHBondContact O-N 3.33Å; I466-K468 PolarHBondContact O-N 2.86Å; I466-T469 WeakPolarHBondContact O-CB 3.44Å; I466-T469 PolarHBondContact O-N 2.78Å; I466-T469 VanDerWaalsContact O-N 3.12Å; I466-V470 HydrophobicContact CG2-CG2 4.2Å; I466-V470 WeakPolarHBondContact O-CG2 3.49Å; I466-V470 PolarHBondContact O-N 3.12Å |
| 467 | A | 90.8 | Very high | 86 | Confident | 12 Ų | 12 | 65 Ų | 65 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I304 V463 K464 E465 T469 V470 D471 V478 | I304-A467 HydrophobicContact CD1-CB 3.46Å; I304-A467 VanDerWaalsContact CD1-CB 3.46Å; I304-A467 HydrophobicContact CG1-CB 3.52Å; V463-A467 PolarHBondContact O-N 3.44Å; K464-A467 PolarHBondContact O-N 3.24Å; E465-A467 VanDerWaalsContact C-N 3.34Å; A467-T469 VanDerWaalsContact C-N 3.27Å; A467-T469 PolarHBondContact O-N 3.06Å; A467-V470 PolarHBondContact O-N 3.19Å; A467-D471 WeakPolarHBondContact O-CB 3.29Å; A467-D471 PolarHBondContact O-N 3.41Å; A467-V478 HydrophobicContact CB-CG2 4.02Å |
| 468 | K | 89.9 | Confident | 85.8 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.6 | -40.7 | 173.4 | -70.5 | 173 | -176.3 | 170.8 | 0 | 112.4 | K464 E465 I466 V470 A472 | K464-K468 WeakPolarHBondContact O-CG 3.48Å; K464-K468 PolarHBondContact O-N 3.3Å; E465-K468 IonicContact OE1-NZ 2.72Å; E465-K468 PolarHBondContact OE1-NZ 3.06Å; E465-K468 IonicContact OE2-NZ 3.78Å; I466-K468 PolarHBondContact O-N 2.86Å; K468-V470 VanDerWaalsContact C-N 3.35Å; K468-A472 WeakPolarHBondContact O-CB 3.33Å; K468-A472 PolarHBondContact O-N 2.91Å; K468-A472 VanDerWaalsContact O-N 3.14Å |
| 469 | T | 87.4 | Confident | 85.7 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 56% | 0.564 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.1 | -34.6 | 179.6 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | E465 I466 A467 N473 | E465-T469 PolarHBondContact O-N 3.39Å; E465-T469 PolarHBondContact O-OG1 2.77Å; I466-T469 WeakPolarHBondContact O-CB 3.44Å; I466-T469 PolarHBondContact O-N 2.78Å; I466-T469 VanDerWaalsContact O-N 3.12Å; A467-T469 VanDerWaalsContact C-N 3.27Å; A467-T469 PolarHBondContact O-N 3.06Å; T469-N473 PolarHBondContact O-ND2 3.45Å; T469-N473 VanDerWaalsContact O-ND2 3.16Å |
| 470 | V | 83.7 | Confident | 85.6 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.6 | -43.9 | 178.8 | 173 | 0 | 0 | 0 | 0 | 111.5 | V340 I466 A467 K468 A472 N473 N474 R476 V478 | V340-V470 HydrophobicContact CB-CG2 4.3Å; V340-V470 HydrophobicContact CG2-CG1 4.33Å; V340-V470 HydrophobicContact CG2-CG2 3.73Å; I466-V470 HydrophobicContact CG2-CG2 4.2Å; I466-V470 WeakPolarHBondContact O-CG2 3.49Å; I466-V470 PolarHBondContact O-N 3.12Å; A467-V470 PolarHBondContact O-N 3.19Å; K468-V470 VanDerWaalsContact C-N 3.35Å; V470-A472 VanDerWaalsContact C-N 3.34Å; V470-A472 PolarHBondContact O-N 3.08Å; V470-N473 PolarHBondContact O-N 3.2Å; V470-N473 VanDerWaalsContact O-N 3.14Å; V470-N474 PolarHBondContact O-N 3.43Å; V470-R476 HydrophobicContact CG1-CB 3.72Å; V470-R476 WeakPolarHBondContact CG1-O 3.47Å; V470-V478 HydrophobicContact CB-CG2 4.02Å; V470-V478 HydrophobicContact CG1-CG2 4.15Å; V470-V478 HydrophobicContact CG2-CG2 4.06Å |
| 471 | D | 75.4 | Confident | 85.6 | Confident | 114 Ų | 114 | 59.4 Ų | 59.4 | 61% | 0.61 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.3 | -38 | 179.8 | -165.2 | 42.3 | 0 | 0 | 0 | 111.8 | A467 N473 N474 | A467-D471 WeakPolarHBondContact O-CB 3.29Å; A467-D471 PolarHBondContact O-N 3.41Å; D471-N473 PolarHBondContact O-N 3.46Å; D471-N473 VanDerWaalsContact O-N 3.1Å; D471-N474 WeakPolarHBondContact O-CA 3.12Å; D471-N474 PolarHBondContact O-N 3.08Å |
| 472 | A | 67.4 | Low | 85.6 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | K468 V470 | K468-A472 WeakPolarHBondContact O-CB 3.33Å; K468-A472 PolarHBondContact O-N 2.91Å; K468-A472 VanDerWaalsContact O-N 3.14Å; V470-A472 VanDerWaalsContact C-N 3.34Å; V470-A472 PolarHBondContact O-N 3.08Å |
| 473 | N | 67.8 | Low | 85.4 | Confident | 115 Ų | 115 | 54.2 Ų | 54.2 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -2.3 | 176.6 | -64.4 | -36.3 | 0 | 0 | 0 | 113.1 | T469 V470 D471 E475 | T469-N473 PolarHBondContact O-ND2 3.45Å; T469-N473 VanDerWaalsContact O-ND2 3.16Å; V470-N473 PolarHBondContact O-N 3.2Å; V470-N473 VanDerWaalsContact O-N 3.14Å; D471-N473 PolarHBondContact O-N 3.46Å; D471-N473 VanDerWaalsContact O-N 3.1Å; N473-E475 WeakPolarHBondContact O-CG 3.38Å; N473-E475 PolarHBondContact O-N 3.48Å |
| 474 | N | 63.3 | Low | 85.1 | Confident | 145 Ų | 145 | 54.2 Ų | 54.2 | 78% | 0.775 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 18.7 | 171.7 | -127.5 | 7.2 | 0 | 0 | 0 | 117.6 | V470 D471 | V470-N474 PolarHBondContact O-N 3.43Å; D471-N474 WeakPolarHBondContact O-CA 3.12Å; D471-N474 PolarHBondContact O-N 3.08Å |
| 475 | E | 65.7 | Low | 84.7 | Confident | 139 Ų | 139 | 51.5 Ų | 51.5 | 65% | 0.65 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -114.4 | -25.1 | -171.3 | -79 | -175.7 | 178.4 | 0 | 0 | 115.7 | N473 | N473-E475 WeakPolarHBondContact O-CG 3.38Å; N473-E475 PolarHBondContact O-N 3.48Å |
| 476 | R | 76.9 | Confident | 84.3 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | trans | -135.3 | 146.7 | -165.9 | -52.1 | -178.9 | -172.2 | -174.6 | 3.4 | 113 | N338 V340 V470 | N338-R476 VanDerWaalsContact O-CD 3.28Å; N338-R476 WeakPolarHBondContact O-CD 3.4Å; N338-R476 VanDerWaalsContact O-CG 3.31Å; N338-R476 WeakPolarHBondContact O-CG 3.41Å; V340-R476 HydrophobicContact CG2-CB 4.36Å; V470-R476 HydrophobicContact CG1-CB 3.72Å; V470-R476 WeakPolarHBondContact CG1-O 3.47Å | ||
| 477 | S | 84.4 | Confident | 84 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | trans | -83.1 | 154.2 | 165.2 | 45.5 | 0 | 0 | 0 | 0 | 110.3 | P339 V340 | P339-S477 CarbonylContact C-O 3.42Å; P339-S477 WeakPolarHBondContact CA-O 3.36Å; P339-S477 WeakPolarHBondContact CB-O 3.17Å; V340-S477 PolarHBondContact N-O 3.06Å | ||
| 478 | V | 91.1 | Very high | 84 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.4 | 168.9 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | I304 N305 V340 I342 A467 V470 V480 | I304-V478 HydrophobicContact CG2-CB 4.23Å; I304-V478 HydrophobicContact CG2-CG1 4.01Å; N305-V478 PolarHBondContact N-O 3.23Å; V340-V478 HydrophobicContact CB-CG2 4.48Å; V340-V478 WeakPolarHBondContact O-CA 3.12Å; I342-V478 HydrophobicContact CD1-CG1 3.81Å; I342-V478 HydrophobicContact CG1-CG1 4.37Å; A467-V478 HydrophobicContact CB-CG2 4.02Å; V470-V478 HydrophobicContact CB-CG2 4.02Å; V470-V478 HydrophobicContact CG1-CG2 4.15Å; V470-V478 HydrophobicContact CG2-CG2 4.06Å; V478-V480 HydrophobicContact CG1-CG2 4.12Å |
| 479 | E | 92.6 | 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 | -122.9 | 128.3 | 179.4 | -63.1 | -179.2 | 157.8 | 0 | 0 | 109.9 | N305 Y307 F328 S332 P339 V340 R341 I342 | N305-E479 HydrophobicContact CB-CG 4.42Å; N305-E479 CarbonylContact O-C 3.56Å; N305-E479 WeakPolarHBondContact O-CA 3.49Å; Y307-E479 HydrophobicContact CE2-CB 4.12Å; Y307-E479 HydrophobicContact CE2-CG 4.14Å; F328-E479 HydrophobicContact CE2-CB 4.24Å; F328-E479 HydrophobicContact CZ-CB 4.22Å; S332-E479 WeakPolarHBondContact CB-OE1 2.88Å; S332-E479 WeakPolarHBondContact CB-OE2 3.25Å; S332-E479 PolarHBondContact OG-OE1 2.83Å; S332-E479 PolarHBondContact OG-OE2 2.84Å; P339-E479 HydrophobicContact CB-CG 3.85Å; P339-E479 HydrophobicContact CG-CG 4.41Å; P339-E479 WeakPolarHBondContact CG-OE2 3.33Å; V340-E479 PolarHBondContact O-N 2.93Å; R341-E479 CarbonylContact C-O 3.59Å; R341-E479 WeakPolarHBondContact CA-O 3.45Å; R341-E479 HydrophobicContact CG-CB 4.43Å; R341-E479 IonicContact NE-OE2 3.27Å; R341-E479 PolarHBondContact NE-OE2 2.87Å; I342-E479 PolarHBondContact N-O 2.75Å |
| 480 | V | 95.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 113.1 | -172.6 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | I304 N305 F306 Y307 I342 V344 V463 V478 V482 | I304-V480 HydrophobicContact CG2-CG2 3.58Å; N305-V480 PolarHBondContact O-N 2.81Å; F306-V480 CarbonylContact C-O 3.07Å; F306-V480 WeakPolarHBondContact CA-O 3.36Å; F306-V480 HydrophobicContact CD1-CB 3.74Å; F306-V480 HydrophobicContact CD1-CG1 3.96Å; F306-V480 HydrophobicContact CD1-CG2 4.14Å; F306-V480 HydrophobicContact CE1-CB 4.06Å; F306-V480 HydrophobicContact CE1-CG1 4.13Å; F306-V480 HydrophobicContact CE1-CG2 4Å; F306-V480 HydrophobicContact CG-CB 4.47Å; Y307-V480 PolarHBondContact N-O 2.9Å; I342-V480 HydrophobicContact CB-CG1 4.34Å; I342-V480 HydrophobicContact CB-CG2 4.24Å; I342-V480 HydrophobicContact CD1-CG2 4.3Å; I342-V480 HydrophobicContact CG2-CG1 4.39Å; I342-V480 CarbonylContact O-C 3.57Å; I342-V480 WeakPolarHBondContact O-CA 3.34Å; V344-V480 HydrophobicContact CG2-CG1 3.69Å; V463-V480 HydrophobicContact CG1-CG2 3.73Å; V478-V480 HydrophobicContact CG1-CG2 4.12Å; V480-V482 HydrophobicContact CG1-CG2 4.07Å |
| 481 | L | 95.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.4 | 171.5 | 178.1 | 62.3 | 0 | 0 | 0 | 109.4 | Y307 F328 I342 L343 V344 F379 T483 | Y307-L481 WeakPolarHBondContact O-CA 3.5Å; F328-L481 HydrophobicContact CB-CD1 4.18Å; F328-L481 HydrophobicContact CD1-CB 4.27Å; F328-L481 HydrophobicContact CD1-CD2 3.97Å; F328-L481 HydrophobicContact CD1-CG 4.5Å; F328-L481 HydrophobicContact CD2-CD1 4.44Å; F328-L481 HydrophobicContact CE1-CB 4.15Å; F328-L481 HydrophobicContact CE1-CD2 4.45Å; F328-L481 HydrophobicContact CE2-CB 4.41Å; F328-L481 HydrophobicContact CG-CB 4.45Å; F328-L481 HydrophobicContact CG-CD1 4.14Å; F328-L481 HydrophobicContact CG-CD2 4.36Å; F328-L481 HydrophobicContact CZ-CB 4.23Å; I342-L481 PolarHBondContact O-N 2.75Å; L343-L481 HydrophobicContact CD1-CD2 4.21Å; L343-L481 HydrophobicContact CD1-CG 4.35Å; V344-L481 PolarHBondContact N-O 3.48Å; F379-L481 HydrophobicContact CE1-CB 4.14Å; F379-L481 HydrophobicContact CE1-CD2 4.31Å; F379-L481 HydrophobicContact CZ-CD2 3.89Å; L481-T483 HydrophobicContact CD2-CG2 4.39Å; L481-T483 HydrophobicContact CG-CG2 4.3Å |
| 482 | V | 96 | Very high | 85.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115.5 | 174.3 | -172.3 | 0 | 0 | 0 | 0 | 109 | Y307 L308 D309 V344 V480 L488 V489 F492 | Y307-V482 PolarHBondContact O-N 2.61Å; L308-V482 HydrophobicContact CD2-CB 3.59Å; L308-V482 HydrophobicContact CD2-CG1 4.35Å; L308-V482 HydrophobicContact CD2-CG2 3.54Å; D309-V482 PolarHBondContact N-O 3.27Å; D309-V482 VanDerWaalsContact N-O 3.13Å; V344-V482 HydrophobicContact CB-CG1 4.43Å; V344-V482 HydrophobicContact CB-CG2 4.18Å; V344-V482 HydrophobicContact CG2-CG2 4.4Å; V344-V482 WeakPolarHBondContact O-CA 3.35Å; V480-V482 HydrophobicContact CG1-CG2 4.07Å; V482-L488 HydrophobicContact CG1-CD2 3.89Å; V482-L488 HydrophobicContact CG1-CG 3.77Å; V482-V489 HydrophobicContact CG1-CG2 4.22Å; V482-F492 HydrophobicContact CB-CD2 4.45Å; V482-F492 HydrophobicContact CG1-CD2 3.61Å; V482-F492 HydrophobicContact CG1-CE2 3.94Å; V482-F492 HydrophobicContact CG1-CG 4.18Å; V482-F492 HydrophobicContact CG2-CD1 3.98Å; V482-F492 HydrophobicContact CG2-CD2 4Å; V482-F492 HydrophobicContact CG2-CE1 4.06Å; V482-F492 HydrophobicContact CG2-CE2 4.08Å; V482-F492 HydrophobicContact CG2-CG 3.94Å; V482-F492 HydrophobicContact CG2-CZ 4.11Å |
| 483 | T | 94.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 179.7 | -173.8 | -161.7 | 0 | 0 | 0 | 0 | 114.6 | D309 L343 V344 F345 H346 L360 L481 S485 | D309-T483 VanDerWaalsContact O-CA 3.29Å; D309-T483 WeakPolarHBondContact O-CA 3.2Å; D309-T483 WeakPolarHBondContact O-CB 3.42Å; D309-T483 PolarHBondContact O-OG1 2.97Å; L343-T483 HydrophobicContact CD1-CG2 4.13Å; V344-T483 PolarHBondContact O-N 3.26Å; F345-T483 HydrophobicContact CD2-CG2 4.01Å; H346-T483 PolarHBondContact N-O 2.91Å; L360-T483 HydrophobicContact CD1-CG2 4.12Å; L360-T483 HydrophobicContact CD2-CG2 4.34Å; L481-T483 HydrophobicContact CD2-CG2 4.39Å; L481-T483 HydrophobicContact CG-CG2 4.3Å; T483-S485 PolarHBondContact O-N 2.86Å |
| 484 | G | 89.1 | Confident | 87.4 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 93.6 | -40.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A311 H312 H346 | A311-G484 WeakPolarHBondContact O-CA 3.46Å; A311-G484 PolarHBondContact O-N 3.43Å; A311-G484 VanDerWaalsContact O-N 3.16Å; H312-G484 WeakPolarHBondContact CB-O 3.43Å; H346-G484 CarbonylContact O-C 3.56Å; H346-G484 WeakPolarHBondContact O-CA 3.45Å |
| 485 | S | 86.4 | Confident | 88.7 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 3% | 0.028 | 9% | 0.094 | C | C | . | . | trans | -135.3 | 127.3 | -177.6 | 175 | 0 | 0 | 0 | 0 | 110.4 | H346 T483 Y487 L488 V489 | H346-S485 WeakPolarHBondContact O-CB 3.33Å; H346-S485 PolarHBondContact O-N 3.26Å; T483-S485 PolarHBondContact O-N 2.86Å; S485-Y487 PolarHBondContact O-N 2.99Å; S485-Y487 PolarHBondContact OG-N 3.5Å; S485-L488 WeakPolarHBondContact O-CB 3.43Å; S485-L488 PolarHBondContact O-N 2.72Å; S485-L488 VanDerWaalsContact O-N 3.09Å; S485-L488 PolarHBondContact OG-N 3.23Å; S485-V489 PolarHBondContact O-N 3.41Å; S485-V489 VanDerWaalsContact O-N 3.09Å | ||
| 486 | L | 84.9 | Confident | 89.9 | Confident | 16 Ų | 16 | 14.1 Ų | 14.1 | 8% | 0.084 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.6 | -29.8 | 175.9 | -168.7 | 66.3 | 0 | 0 | 0 | 112.1 | P73 I75 G490 | P73-L486 HydrophobicContact CG-CD2 4.07Å; I75-L486 HydrophobicContact CD1-CD1 3.72Å; I75-L486 HydrophobicContact CD1-CD2 4.27Å; I75-L486 HydrophobicContact CD1-CG 4.09Å; I75-L486 HydrophobicContact CG1-CD1 3.95Å; I75-L486 HydrophobicContact CG1-CD2 3.8Å; I75-L486 HydrophobicContact CG1-CG 3.73Å; L486-G490 PolarHBondContact O-N 3.41Å |
| 487 | Y | 86.9 | Confident | 90.4 | Very high | 51 Ų | 51 | 9.5 Ų | 9.5 | 20% | 0.2 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -74.5 | -29.8 | 175.1 | -59.3 | -68.7 | 0 | 0 | 0 | 112.9 | P73 H74 K349 S485 G490 G491 | P73-Y487 WeakPolarHBondContact CB-OH 3.36Å; H74-Y487 VanDerWaalsContact O-CE1 3.3Å; H74-Y487 WeakPolarHBondContact O-CE1 3.5Å; K349-Y487 PolarHBondContact NZ-OH 3.39Å; S485-Y487 PolarHBondContact O-N 2.99Å; S485-Y487 PolarHBondContact OG-N 3.5Å; Y487-G490 PolarHBondContact O-N 3.17Å; Y487-G491 PolarHBondContact O-N 3.2Å |
| 488 | L | 90.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.5 | -46.2 | 172.4 | 174.3 | 68.7 | 0 | 0 | 0 | 109.5 | V344 H346 V456 V482 S485 G490 G491 F492 | V344-L488 HydrophobicContact CG1-CD1 4.45Å; V344-L488 HydrophobicContact CG1-CD2 4.19Å; H346-L488 HydrophobicContact CB-CB 4.26Å; H346-L488 HydrophobicContact CB-CD2 3.71Å; H346-L488 HydrophobicContact CB-CG 4.4Å; V456-L488 HydrophobicContact CG2-CD1 3.78Å; V482-L488 HydrophobicContact CG1-CD2 3.89Å; V482-L488 HydrophobicContact CG1-CG 3.77Å; S485-L488 WeakPolarHBondContact O-CB 3.43Å; S485-L488 PolarHBondContact O-N 2.72Å; S485-L488 VanDerWaalsContact O-N 3.09Å; S485-L488 PolarHBondContact OG-N 3.23Å; L488-G490 PolarHBondContact O-N 3.35Å; L488-G491 PolarHBondContact O-N 2.9Å; L488-G491 VanDerWaalsContact O-N 3.11Å; L488-F492 HydrophobicContact CD1-CD2 4.36Å; L488-F492 HydrophobicContact CD1-CE2 4.15Å; L488-F492 PolarHBondContact O-N 2.99Å; L488-F492 VanDerWaalsContact O-N 3.12Å |
| 489 | V | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.6 | -43.5 | 172.4 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | L308 V482 S485 F492 L493 | L308-V489 HydrophobicContact CB-CG1 3.98Å; V482-V489 HydrophobicContact CG1-CG2 4.22Å; S485-V489 PolarHBondContact O-N 3.41Å; S485-V489 VanDerWaalsContact O-N 3.09Å; V489-F492 PolarHBondContact O-N 3.3Å; V489-L493 HydrophobicContact CG1-CD1 3.85Å; V489-L493 HydrophobicContact CG1-CG 4.36Å; V489-L493 WeakPolarHBondContact O-CG 3.44Å; V489-L493 PolarHBondContact O-N 2.98Å |
| 490 | G | 89.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58 | -48.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L76 L486 Y487 L488 F492 L493 S494 | L76-G490 WeakPolarHBondContact CD2-O 3.49Å; L486-G490 PolarHBondContact O-N 3.41Å; Y487-G490 PolarHBondContact O-N 3.17Å; L488-G490 PolarHBondContact O-N 3.35Å; G490-F492 PolarHBondContact O-N 2.92Å; G490-F492 VanDerWaalsContact O-N 3.16Å; G490-L493 CarbonylContact O-C 3.06Å; G490-L493 WeakPolarHBondContact O-CA 3.12Å; G490-L493 PolarHBondContact O-N 3.22Å; G490-S494 PolarHBondContact O-N 2.99Å |
| 491 | G | 89.7 | Confident | 88.7 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.1 | -31.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y487 L488 S494 F495 | Y487-G491 PolarHBondContact O-N 3.2Å; L488-G491 PolarHBondContact O-N 2.9Å; L488-G491 VanDerWaalsContact O-N 3.11Å; G491-S494 PolarHBondContact O-OG 3.34Å; G491-F495 WeakPolarHBondContact O-CD2 3.33Å; G491-F495 WeakPolarHBondContact O-CE2 3.28Å |
| 492 | F | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -73.9 | -43.1 | 171 | -88.2 | -96.2 | 0 | 0 | 0 | 112.1 | F306 L308 V344 V456 V459 Y460 V482 L488 V489 G490 S494 F495 L496 | F306-F492 HydrophobicContact CD1-CD1 4.06Å; F306-F492 HydrophobicContact CD1-CE1 4.21Å; F306-F492 HydrophobicContact CE1-CD1 4.05Å; F306-F492 AromaticContact CE1-CE1 3.89Å; F306-F492 HydrophobicContact CE1-CE1 3.89Å; L308-F492 HydrophobicContact CD2-CB 4.1Å; V344-F492 HydrophobicContact CB-CE2 4.46Å; V344-F492 HydrophobicContact CB-CZ 4.38Å; V344-F492 HydrophobicContact CG1-CE2 3.79Å; V344-F492 HydrophobicContact CG1-CZ 3.97Å; V344-F492 HydrophobicContact CG2-CZ 4.11Å; V456-F492 HydrophobicContact CG1-CD2 3.47Å; V456-F492 VanDerWaalsContact CG1-CD2 3.47Å; V456-F492 HydrophobicContact CG1-CE2 3.53Å; V456-F492 HydrophobicContact CG1-CG 4.04Å; V456-F492 HydrophobicContact CG1-CZ 4.14Å; V459-F492 HydrophobicContact CB-CZ 4.23Å; V459-F492 HydrophobicContact CG1-CZ 3.82Å; Y460-F492 HydrophobicContact CD2-CD1 4.37Å; Y460-F492 HydrophobicContact CD2-CE1 4.25Å; V482-F492 HydrophobicContact CB-CD2 4.45Å; V482-F492 HydrophobicContact CG1-CD2 3.61Å; V482-F492 HydrophobicContact CG1-CE2 3.94Å; V482-F492 HydrophobicContact CG1-CG 4.18Å; V482-F492 HydrophobicContact CG2-CD1 3.98Å; V482-F492 HydrophobicContact CG2-CD2 4Å; V482-F492 HydrophobicContact CG2-CE1 4.06Å; V482-F492 HydrophobicContact CG2-CE2 4.08Å; V482-F492 HydrophobicContact CG2-CG 3.94Å; V482-F492 HydrophobicContact CG2-CZ 4.11Å; L488-F492 HydrophobicContact CD1-CD2 4.36Å; L488-F492 HydrophobicContact CD1-CE2 4.15Å; L488-F492 PolarHBondContact O-N 2.99Å; L488-F492 VanDerWaalsContact O-N 3.12Å; V489-F492 PolarHBondContact O-N 3.3Å; G490-F492 PolarHBondContact O-N 2.92Å; G490-F492 VanDerWaalsContact O-N 3.16Å; F492-S494 PolarHBondContact O-N 2.85Å; F492-F495 PolarHBondContact O-N 3.12Å; F492-L496 HydrophobicContact CB-CD1 4.25Å; F492-L496 HydrophobicContact CD1-CD1 4.39Å; F492-L496 WeakPolarHBondContact O-CB 3.18Å; F492-L496 WeakPolarHBondContact O-CG 3.36Å; F492-L496 PolarHBondContact O-N 3.14Å |
| 493 | L | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -29 | 177.1 | -70.8 | 168.9 | 0 | 0 | 0 | 112.5 | I75 L76 P293 L308 V489 G490 F495 L496 D497 L500 | I75-L493 HydrophobicContact CG2-CD1 4Å; L76-L493 HydrophobicContact CD1-CB 4.11Å; P293-L493 HydrophobicContact CB-CD1 4.41Å; L308-L493 HydrophobicContact CD1-CD2 3.41Å; L308-L493 VanDerWaalsContact CD1-CD2 3.41Å; L308-L493 HydrophobicContact CD1-CG 3.9Å; V489-L493 HydrophobicContact CG1-CD1 3.85Å; V489-L493 HydrophobicContact CG1-CG 4.36Å; V489-L493 WeakPolarHBondContact O-CG 3.44Å; V489-L493 PolarHBondContact O-N 2.98Å; G490-L493 CarbonylContact O-C 3.06Å; G490-L493 WeakPolarHBondContact O-CA 3.12Å; G490-L493 PolarHBondContact O-N 3.22Å; L493-F495 PolarHBondContact O-N 3.34Å; L493-L496 PolarHBondContact O-N 3.23Å; L493-D497 HydrophobicContact CD2-CB 3.83Å; L493-D497 CarbonylContact O-C 3.58Å; L493-D497 WeakPolarHBondContact O-CA 3.49Å; L493-D497 PolarHBondContact O-N 3.35Å; L493-L500 HydrophobicContact CB-CD2 4.02Å; L493-L500 HydrophobicContact CD1-CD2 3.92Å; L493-L500 HydrophobicContact CG-CD2 4.44Å |
| 494 | S | 89.3 | Confident | 83 | Confident | 23 Ų | 23 | 33 Ų | 33 | 16% | 0.161 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -24.3 | 174.4 | 54.2 | 0 | 0 | 0 | 0 | 114 | G490 G491 F492 | G490-S494 PolarHBondContact O-N 2.99Å; G491-S494 PolarHBondContact O-OG 3.34Å; F492-S494 PolarHBondContact O-N 2.85Å |
| 495 | F | 90 | Very high | 80.2 | Confident | 72 Ų | 72 | 35.9 Ų | 35.9 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -95.4 | -27.9 | 175.2 | -57.2 | -71.5 | 0 | 0 | 0 | 112.7 | V456 N457 Y460 G491 F492 L493 | V456-F495 HydrophobicContact CB-CE2 4.36Å; V456-F495 HydrophobicContact CG1-CD2 4.32Å; V456-F495 HydrophobicContact CG1-CE2 3.92Å; N457-F495 HydrophobicContact CB-CZ 3.88Å; Y460-F495 HydrophobicContact CD1-CB 4.47Å; Y460-F495 HydrophobicContact CD1-CG 4.44Å; Y460-F495 HydrophobicContact CE1-CB 4.26Å; G491-F495 WeakPolarHBondContact O-CD2 3.33Å; G491-F495 WeakPolarHBondContact O-CE2 3.28Å; F492-F495 PolarHBondContact O-N 3.12Å; L493-F495 PolarHBondContact O-N 3.34Å |
| 496 | L | 91.2 | Very high | 77.5 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -95.6 | -52.6 | -170.9 | -71.2 | 179.4 | 0 | 0 | 0 | 111.9 | V299 F306 L308 Y460 F492 L493 I504 | V299-L496 HydrophobicContact CB-CD1 4.38Å; V299-L496 HydrophobicContact CG1-CB 4.03Å; V299-L496 HydrophobicContact CG1-CD1 4.11Å; V299-L496 HydrophobicContact CG1-CD2 3.93Å; V299-L496 HydrophobicContact CG1-CG 4.23Å; F306-L496 HydrophobicContact CB-CD1 3.82Å; F306-L496 HydrophobicContact CD1-CD1 3.99Å; F306-L496 HydrophobicContact CD2-CD1 3.86Å; F306-L496 HydrophobicContact CD2-CD2 3.81Å; F306-L496 HydrophobicContact CE2-CD1 4.43Å; F306-L496 HydrophobicContact CE2-CD2 3.8Å; F306-L496 HydrophobicContact CG-CD1 3.61Å; F306-L496 HydrophobicContact CG-CD2 4.41Å; F306-L496 HydrophobicContact CZ-CD2 4.42Å; L308-L496 HydrophobicContact CD1-CD1 4.14Å; Y460-L496 HydrophobicContact CE2-CD2 3.91Å; Y460-L496 HydrophobicContact CE2-CG 4.49Å; F492-L496 HydrophobicContact CB-CD1 4.25Å; F492-L496 HydrophobicContact CD1-CD1 4.39Å; F492-L496 WeakPolarHBondContact O-CB 3.18Å; F492-L496 WeakPolarHBondContact O-CG 3.36Å; F492-L496 PolarHBondContact O-N 3.14Å; L493-L496 PolarHBondContact O-N 3.23Å; L496-I504 HydrophobicContact CB-CD1 4.14Å; L496-I504 WeakPolarHBondContact O-CD1 3.49Å; L496-I504 VanDerWaalsContact O-CG1 3.25Å; L496-I504 WeakPolarHBondContact O-CG1 3.4Å |
| 497 | D | 88 | Confident | 74.8 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.032 | 32% | 0.322 | C | S | . | . | trans | -136.3 | 66.1 | -173.9 | -170.1 | 7.6 | 0 | 0 | 0 | 109.7 | Q297 L493 D499 L500 C501 G502 I504 | Q297-D497 PolarHBondContact NE2-OD2 3.49Å; L493-D497 HydrophobicContact CD2-CB 3.83Å; L493-D497 CarbonylContact O-C 3.58Å; L493-D497 WeakPolarHBondContact O-CA 3.49Å; L493-D497 PolarHBondContact O-N 3.35Å; D497-D499 PolarHBondContact O-N 3.45Å; D497-D499 VanDerWaalsContact O-N 3.14Å; D497-L500 PolarHBondContact O-N 3.14Å; D497-L500 PolarHBondContact OD1-N 3.17Å; D497-L500 WeakPolarHBondContact OD2-CA 3.31Å; D497-C501 PolarHBondContact OD1-N 3.16Å; D497-C501 PolarHBondContact OD2-N 2.88Å; D497-G502 WeakPolarHBondContact OD2-CA 3.44Å; D497-G502 PolarHBondContact OD2-N 3.1Å; D497-I504 HydrophobicContact CB-CD1 3.91Å; D497-I504 HydrophobicContact CB-CG1 4.32Å | ||
| 498 | P | 84 | Confident | 74.2 | Confident | 82 Ų | 82 | 50.4 Ų | 50.4 | 53% | 0.532 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.4 | -172.1 | 23.1 | -33.9 | 0 | 0 | 0 | 113.5 | ||
| 499 | D | 81.6 | Confident | 73.3 | Confident | 132 Ų | 132 | 53 Ų | 53 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5.9 | 177.7 | -63.5 | -42.6 | 0 | 0 | 0 | 113.4 | D497 C501 | D497-D499 PolarHBondContact O-N 3.45Å; D497-D499 VanDerWaalsContact O-N 3.14Å; D499-C501 VanDerWaalsContact C-N 3.27Å; D499-C501 PolarHBondContact O-N 3.45Å |
| 500 | L | 83.1 | Confident | 72.3 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | trans | 53.3 | 43.4 | -176.3 | -57.6 | 178.7 | 0 | 0 | 0 | 112.5 | L76 F291 P293 L493 D497 | L76-L500 HydrophobicContact CB-CD1 4.25Å; L76-L500 HydrophobicContact CD1-CD1 4.3Å; L76-L500 HydrophobicContact CD1-CD2 3.55Å; L76-L500 HydrophobicContact CD1-CG 3.9Å; L76-L500 HydrophobicContact CG-CD2 4.18Å; F291-L500 WeakPolarHBondContact CE1-O 3.15Å; P293-L500 HydrophobicContact CB-CB 4.33Å; P293-L500 HydrophobicContact CB-CD2 3.99Å; P293-L500 HydrophobicContact CG-CB 3.88Å; P293-L500 HydrophobicContact CG-CD1 4.46Å; P293-L500 HydrophobicContact CG-CD2 4.45Å; L493-L500 HydrophobicContact CB-CD2 4.02Å; L493-L500 HydrophobicContact CD1-CD2 3.92Å; L493-L500 HydrophobicContact CG-CD2 4.44Å; D497-L500 PolarHBondContact O-N 3.14Å; D497-L500 PolarHBondContact OD1-N 3.17Å; D497-L500 WeakPolarHBondContact OD2-CA 3.31Å | ||
| 501 | C | 78.5 | Confident | 71.3 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 51% | 0.514 | 39% | 0.386 | S | S | . | . | trans | -92.5 | -13.4 | -177.7 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | D497 D499 T503 | D497-C501 PolarHBondContact OD1-N 3.16Å; D497-C501 PolarHBondContact OD2-N 2.88Å; D499-C501 VanDerWaalsContact C-N 3.27Å; D499-C501 PolarHBondContact O-N 3.45Å; C501-T503 PolarHBondContact O-N 3.06Å | ||
| 502 | G | 70.3 | Confident | 70.2 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 32% | 0.32 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 75.3 | -4.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F291 D497 | F291-G502 VanDerWaalsContact CE1-N 3.32Å; F291-G502 VanDerWaalsContact CE2-CA 3.48Å; D497-G502 WeakPolarHBondContact OD2-CA 3.44Å; D497-G502 PolarHBondContact OD2-N 3.1Å |
| 503 | T | 56.8 | Low | 68.7 | Low | 110 Ų | 110 | 66.9 Ų | 66.9 | 68% | 0.675 | 44% | 0.435 | S | S | * | . | trans | -104.9 | 113 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 109.3 | C501 | C501-T503 PolarHBondContact O-N 3.06Š| ||
| 504 | I | 39.3 | Very low | 67.1 | Low | 57 Ų | 57 | 71.7 Ų | 71.7 | 29% | 0.292 | 47% | 0.466 | S | S | . | . | trans | -121.2 | 109.6 | 165.5 | -63.1 | 160.4 | 0 | 0 | 0 | 108.6 | V299 L496 D497 | V299-I504 HydrophobicContact CB-CD1 3.83Å; V299-I504 HydrophobicContact CG1-CB 4.46Å; V299-I504 HydrophobicContact CG1-CD1 3.08Å; V299-I504 HydrophobicContact CG1-CG1 4.37Å; V299-I504 HydrophobicContact CG2-CD1 3.51Å; L496-I504 HydrophobicContact CB-CD1 4.14Å; L496-I504 WeakPolarHBondContact O-CD1 3.49Å; L496-I504 VanDerWaalsContact O-CG1 3.25Å; L496-I504 WeakPolarHBondContact O-CG1 3.4Å; D497-I504 HydrophobicContact CB-CD1 3.91Å; D497-I504 HydrophobicContact CB-CG1 4.32Å | ||
| 505 | G | 30.8 | Very low | 65.4 | Low | 60 Ų | 60 | 75.5 Ų | 75.5 | 62% | 0.619 | 49% | 0.49 | S | S | * | . | trans | 73.4 | 136.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S507 | G505-S507 PolarHBondContact O-N 2.89Š| ||
| 506 | P | 28.5 | Very low | 63.4 | Low | 135 Ų | 135 | 75.8 Ų | 75.8 | 88% | 0.877 | 50% | 0.504 | S | S | * | . | trans | -58.4 | 130 | 154 | 26.3 | -29.2 | 0 | 0 | 0 | 108.1 | ||||
| 507 | S | 28.4 | Very low | 60.8 | Low | 190 Ų | 190 | 81.8 Ų | 81.8 | 100% | 1.329 | 55% | 0.546 | S | S | * | . | trans | -54.7 | 0 | 171.5 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | G505 | G505-S507 PolarHBondContact O-N 2.89Š|
Retrieved 507 of 507 residues in 325.9 ms
(Link to these results)