| 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 | 48.7 | Very low | 78.3 | Confident | 243 Ų | 243 | 133.2 Ų | 133.2 | 100% | 1.197 | 66% | 0.66 | S | S | * | * | 0 | 143.9 | 0 | -65.3 | -178.9 | -161 | 0 | 0 | 108.6 | R3 | M1-R3 PolarHBondContact O-N 2.66Š| |||
| 2 | A | 59.7 | Low | 79.1 | Confident | 61 Ų | 61 | 132.8 Ų | 132.8 | 50% | 0.504 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 133 | 174 | 0 | 0 | 0 | 0 | 0 | 109.2 | L4 R10 | A2-L4 PolarHBondContact O-N 2.97Å; A2-R10 HydrophobicContact CB-CG 4.37Å |
| 3 | R | 70.2 | Confident | 79.6 | Confident | 203 Ų | 203 | 129.6 Ų | 129.6 | 77% | 0.766 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.2 | 172.2 | -73.7 | -173 | 177.4 | -179.1 | -2.1 | 108.3 | M1 L11 | M1-R3 PolarHBondContact O-N 2.66Å; R3-L11 HydrophobicContact CB-CD1 4.12Å; R3-L11 PolarHBondContact O-N 3.29Å |
| 4 | L | 76.8 | Confident | 80.4 | Confident | 98 Ų | 98 | 124.2 Ų | 124.2 | 51% | 0.513 | 65% | 0.648 | S | S | . | * | B | Isolated β-bridge | trans | -98.5 | 151.1 | 176.5 | -56.8 | 178.3 | 0 | 0 | 0 | 109 | A2 I9 R10 | A2-L4 PolarHBondContact O-N 2.97Å; L4-I9 CarbonylContact C-O 3.49Å; L4-I9 WeakPolarHBondContact CA-O 3.36Å; L4-R10 HydrophobicContact CD2-CB 4.47Å; L4-R10 HydrophobicContact CD2-CG 3.8Å |
| 5 | S | 83.2 | Confident | 81.3 | Confident | 34 Ų | 34 | 119.8 Ų | 119.8 | 24% | 0.238 | 63% | 0.631 | C | S | . | * | P | Polyproline II helix | trans | -67.7 | 170.2 | 165.2 | 71.1 | 0 | 0 | 0 | 0 | 110.2 | Q7 G8 I9 | S5-Q7 PolarHBondContact O-N 3.42Å; S5-Q7 PolarHBondContact OG-N 2.82Å; S5-G8 PolarHBondContact O-N 2.94Å; S5-I9 PolarHBondContact N-O 3.16Å; S5-I9 WeakPolarHBondContact OG-CB 3.26Å; S5-I9 PolarHBondContact OG-N 2.73Å; S5-I9 VanDerWaalsContact OG-N 3.14Å; S5-I9 PolarHBondContact OG-O 3.4Å |
| 6 | E | 81.6 | Confident | 82.1 | Confident | 213 Ų | 213 | 113.4 Ų | 113.4 | 100% | 0.995 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -21.7 | 172.2 | -64.8 | -179.6 | 176.8 | 0 | 0 | 112.9 | ||
| 7 | Q | 88.8 | Confident | 82.8 | Confident | 161 Ų | 161 | 111.2 Ų | 111.2 | 75% | 0.752 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 8.2 | 177.9 | -63.1 | 156.7 | -10.2 | 0 | 0 | 113 | S5 I9 | S5-Q7 PolarHBondContact O-N 3.42Å; S5-Q7 PolarHBondContact OG-N 2.82Å; Q7-I9 VanDerWaalsContact C-N 3.33Å; Q7-I9 HydrophobicContact CB-CD1 4.35Å; Q7-I9 HydrophobicContact CB-CG1 4.39Å; Q7-I9 PolarHBondContact O-N 3.38Å |
| 8 | G | 88.9 | Confident | 83.5 | Confident | 47 Ų | 47 | 109.6 Ų | 109.6 | 49% | 0.485 | 58% | 0.582 | S | S | . | * | S | Bend | trans | 78.3 | 10.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S5 | S5-G8 PolarHBondContact O-N 2.94Š|
| 9 | I | 88.8 | Confident | 84.1 | Confident | 106 Ų | 106 | 103.8 Ų | 103.8 | 54% | 0.544 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -89.8 | 135.4 | -177.7 | -56.6 | 173.1 | 0 | 0 | 0 | 109.8 | L4 S5 Q7 L11 | L4-I9 CarbonylContact C-O 3.49Å; L4-I9 WeakPolarHBondContact CA-O 3.36Å; S5-I9 PolarHBondContact N-O 3.16Å; S5-I9 WeakPolarHBondContact OG-CB 3.26Å; S5-I9 PolarHBondContact OG-N 2.73Å; S5-I9 VanDerWaalsContact OG-N 3.14Å; S5-I9 PolarHBondContact OG-O 3.4Å; Q7-I9 VanDerWaalsContact C-N 3.33Å; Q7-I9 HydrophobicContact CB-CD1 4.35Å; Q7-I9 HydrophobicContact CB-CG1 4.39Å; Q7-I9 PolarHBondContact O-N 3.38Å; I9-L11 PolarHBondContact O-N 3.28Å |
| 10 | R | 88.2 | Confident | 84.6 | Confident | 204 Ų | 204 | 102 Ų | 102 | 77% | 0.77 | 54% | 0.542 | S | S | * | . | B | Isolated β-bridge | trans | -60.4 | 127.2 | 178.7 | -68 | -178.5 | -177.5 | 175.5 | 1.8 | 111.3 | A2 L4 | A2-R10 HydrophobicContact CB-CG 4.37Å; L4-R10 HydrophobicContact CD2-CB 4.47Å; L4-R10 HydrophobicContact CD2-CG 3.8Å |
| 11 | L | 86.1 | Confident | 85 | Confident | 95 Ų | 95 | 100.3 Ų | 100.3 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 139.4 | 172.6 | -63.5 | 175.6 | 0 | 0 | 0 | 110.3 | R3 I9 S13 | R3-L11 HydrophobicContact CB-CD1 4.12Å; R3-L11 PolarHBondContact O-N 3.29Å; I9-L11 PolarHBondContact O-N 3.28Å; L11-S13 PolarHBondContact O-N 3.34Å |
| 12 | S | 88.2 | Confident | 87 | Confident | 128 Ų | 128 | 89.3 Ų | 89.3 | 90% | 0.895 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 134.7 | 165.7 | -175 | 0 | 0 | 0 | 0 | 108.9 | ||
| 13 | S | 85.4 | Confident | 88.7 | Confident | 92 Ų | 92 | 86.4 Ų | 86.4 | 64% | 0.643 | 46% | 0.46 | S | S | * | . | trans | -123 | 154.6 | -179.3 | 66.5 | 0 | 0 | 0 | 0 | 109.9 | L11 | L11-S13 PolarHBondContact O-N 3.34Š| ||
| 14 | M | 90.8 | Very high | 89.7 | Confident | 54 Ų | 54 | 81.2 Ų | 81.2 | 27% | 0.266 | 45% | 0.451 | S | S | . | . | trans | -117 | 118.1 | -175.4 | -178.2 | 160.8 | 38.6 | 0 | 0 | 108.7 | F18 F83 A143 V144 | M14-F18 HydrophobicContact CG-CB 3.71Å; M14-F18 HydrophobicContact CG-CD1 3.66Å; M14-F18 HydrophobicContact CG-CG 3.85Å; M14-F18 HydrophobicContact SD-CB 4.44Å; M14-F18 HydrophobicContact SD-CD1 3.2Å; M14-F18 WeakPolarHBondContact SD-CD1 3.28Å; M14-F18 HydrophobicContact SD-CE1 3.59Å; M14-F18 VanDerWaalsContact SD-CE1 3.59Å; M14-F18 HydrophobicContact SD-CG 4Å; M14-F83 HydrophobicContact CE-CB 3.98Å; M14-F83 HydrophobicContact CE-CD1 4.46Å; M14-F83 HydrophobicContact CE-CD2 2.99Å; M14-F83 HydrophobicContact CE-CE2 3.42Å; M14-F83 VanDerWaalsContact CE-CE2 3.42Å; M14-F83 HydrophobicContact CE-CG 3.56Å; M14-F83 HydrophobicContact CE-CZ 4.33Å; M14-F83 HydrophobicContact SD-CB 4.38Å; M14-F83 HydrophobicContact SD-CD1 4.07Å; M14-F83 HydrophobicContact SD-CD2 3.56Å; M14-F83 VanDerWaalsContact SD-CD2 3.56Å; M14-F83 HydrophobicContact SD-CE1 4.19Å; M14-F83 HydrophobicContact SD-CE2 3.66Å; M14-F83 HydrophobicContact SD-CG 3.73Å; M14-F83 HydrophobicContact SD-CZ 3.98Å; M14-A143 CarbonylContact O-C 3.46Å; M14-A143 VanDerWaalsContact O-CA 3.28Å; M14-A143 WeakPolarHBondContact O-CA 3.39Å; M14-V144 HydrophobicContact CB-CG2 4.49Å; M14-V144 HydrophobicContact CG-CG2 4.16Å; M14-V144 PolarHBondContact O-N 3.5Å | ||
| 15 | S | 93.9 | Very high | 90.4 | Very high | 58 Ų | 58 | 77.9 Ų | 77.9 | 41% | 0.406 | 44% | 0.436 | S | S | . | . | trans | -62.8 | 144 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | S17 F18 | S15-S17 PolarHBondContact O-N 2.85Å; S15-S17 VanDerWaalsContact O-N 3.1Å; S15-S17 PolarHBondContact OG-N 3.14Å; S15-S17 PolarHBondContact OG-OG 3.04Å; S15-S17 VanDerWaalsContact OG-OG 3.11Å; S15-F18 VanDerWaalsContact O-CB 3.22Å; S15-F18 WeakPolarHBondContact O-CB 3.31Å; S15-F18 PolarHBondContact O-N 3.44Å | ||
| 16 | P | 94.6 | Very high | 90.8 | Very high | 18 Ų | 18 | 76.3 Ų | 76.3 | 12% | 0.117 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -29.8 | 172.2 | -29.6 | 37.6 | 0 | 0 | 0 | 114.4 | F18 L19 L136 A141 | P16-F18 PolarHBondContact O-N 3.43Å; P16-L19 WeakPolarHBondContact O-CB 3.43Å; P16-L19 PolarHBondContact O-N 2.71Å; P16-L19 VanDerWaalsContact O-N 3.13Å; P16-L136 HydrophobicContact CB-CB 3.93Å; P16-L136 HydrophobicContact CB-CD1 3.93Å; P16-L136 HydrophobicContact CG-CB 4.05Å; P16-L136 HydrophobicContact CG-CD1 4.21Å; P16-A141 HydrophobicContact CG-CB 4.18Å; P16-A141 WeakPolarHBondContact CG-O 3.28Å |
| 17 | S | 94.5 | Very high | 91.2 | Very high | 75 Ų | 75 | 71.8 Ų | 71.8 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.4 | -25.2 | 177.4 | 62.5 | 0 | 0 | 0 | 0 | 113 | S15 L19 N20 S21 | S15-S17 PolarHBondContact O-N 2.85Å; S15-S17 VanDerWaalsContact O-N 3.1Å; S15-S17 PolarHBondContact OG-N 3.14Å; S15-S17 PolarHBondContact OG-OG 3.04Å; S15-S17 VanDerWaalsContact OG-OG 3.11Å; S17-L19 PolarHBondContact O-N 3Å; S17-N20 PolarHBondContact O-N 3.41Å; S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 VanDerWaalsContact O-N 3.11Å; S17-S21 PolarHBondContact O-OG 3.38Å |
| 18 | F | 95 | Very high | 91.3 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 36% | 0.36 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.8 | -29.4 | 177 | -174 | -100 | 0 | 0 | 0 | 112.7 | M14 S15 P16 N20 S21 N22 F83 | M14-F18 HydrophobicContact CG-CB 3.71Å; M14-F18 HydrophobicContact CG-CD1 3.66Å; M14-F18 HydrophobicContact CG-CG 3.85Å; M14-F18 HydrophobicContact SD-CB 4.44Å; M14-F18 HydrophobicContact SD-CD1 3.2Å; M14-F18 WeakPolarHBondContact SD-CD1 3.28Å; M14-F18 HydrophobicContact SD-CE1 3.59Å; M14-F18 VanDerWaalsContact SD-CE1 3.59Å; M14-F18 HydrophobicContact SD-CG 4Å; S15-F18 VanDerWaalsContact O-CB 3.22Å; S15-F18 WeakPolarHBondContact O-CB 3.31Å; S15-F18 PolarHBondContact O-N 3.44Å; P16-F18 PolarHBondContact O-N 3.43Å; F18-N20 VanDerWaalsContact C-N 3.28Å; F18-N20 PolarHBondContact O-N 2.94Å; F18-S21 PolarHBondContact O-N 2.82Å; F18-N22 HydrophobicContact CD1-CB 4.26Å; F18-N22 HydrophobicContact CE1-CB 3.98Å; F18-N22 HydrophobicContact CZ-CB 4.26Å; F18-N22 WeakPolarHBondContact O-CB 3.41Å; F18-N22 PolarHBondContact O-N 2.72Å; F18-F83 HydrophobicContact CD1-CD1 4.46Å; F18-F83 AromaticContact CD1-CE1 3.92Å; F18-F83 HydrophobicContact CD1-CE1 3.92Å; F18-F83 HydrophobicContact CD1-CZ 4.09Å; F18-F83 AromaticContact CE1-CD1 3.76Å; F18-F83 HydrophobicContact CE1-CD1 3.76Å; F18-F83 AromaticContact CE1-CE1 3.48Å; F18-F83 HydrophobicContact CE1-CE1 3.48Å; F18-F83 VanDerWaalsContact CE1-CE1 3.48Å; F18-F83 HydrophobicContact CE1-CZ 4.13Å |
| 19 | L | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 176.2 | -63.4 | -175.4 | 0 | 0 | 0 | 111.3 | P16 S17 S23 F83 M110 L131 Q133 L136 V144 | P16-L19 WeakPolarHBondContact O-CB 3.43Å; P16-L19 PolarHBondContact O-N 2.71Å; P16-L19 VanDerWaalsContact O-N 3.13Å; S17-L19 PolarHBondContact O-N 3Å; L19-S23 PolarHBondContact O-N 2.94Å; L19-F83 HydrophobicContact CD2-CE2 3.92Å; L19-F83 HydrophobicContact CD2-CZ 3.62Å; L19-M110 HydrophobicContact CB-CG 4.14Å; L19-M110 HydrophobicContact CB-SD 4.2Å; L19-M110 HydrophobicContact CD1-SD 4.26Å; L19-L131 HydrophobicContact CD1-CD1 3.9Å; L19-L131 HydrophobicContact CD1-CG 4.43Å; L19-L131 HydrophobicContact CD2-CD1 4.09Å; L19-Q133 HydrophobicContact CB-CG 4.01Å; L19-Q133 HydrophobicContact CD1-CG 3.99Å; L19-L136 HydrophobicContact CD1-CD1 3.76Å; L19-V144 HydrophobicContact CD1-CG2 4.4Å; L19-V144 HydrophobicContact CD2-CG2 4.17Å; L19-V144 HydrophobicContact CG-CG2 4.11Å |
| 20 | N | 92.9 | Very high | 92 | Very high | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.353 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.4 | -46.6 | 175.1 | -175.5 | 56.8 | 0 | 0 | 0 | 111.3 | S17 F18 N22 S23 T24 R206 | S17-N20 PolarHBondContact O-N 3.41Å; F18-N20 VanDerWaalsContact C-N 3.28Å; F18-N20 PolarHBondContact O-N 2.94Å; N20-N22 VanDerWaalsContact C-N 3.26Å; N20-N22 PolarHBondContact O-N 2.98Å; N20-S23 WeakPolarHBondContact O-CB 3.35Å; N20-S23 PolarHBondContact O-N 3.44Å; N20-S23 PolarHBondContact O-OG 3.05Å; N20-T24 PolarHBondContact O-N 3.31Å; N20-R206 PolarHBondContact OD1-NH2 3.38Å |
| 21 | S | 93.3 | Very high | 92.3 | Very high | 68 Ų | 68 | 48.7 Ų | 48.7 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -36.6 | 178.9 | -57.8 | 0 | 0 | 0 | 0 | 113 | S17 F18 S23 T24 | S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 VanDerWaalsContact O-N 3.11Å; S17-S21 PolarHBondContact O-OG 3.38Å; F18-S21 PolarHBondContact O-N 2.82Å; S21-S23 VanDerWaalsContact C-N 3.32Å; S21-T24 PolarHBondContact O-N 3.47Å; S21-T24 PolarHBondContact O-OG1 2.98Å |
| 22 | N | 92.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.064 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.4 | -31 | 178.1 | -172.9 | 47.1 | 0 | 0 | 0 | 112.5 | F18 N20 T24 S25 N103 S107 | F18-N22 HydrophobicContact CD1-CB 4.26Å; F18-N22 HydrophobicContact CE1-CB 3.98Å; F18-N22 HydrophobicContact CZ-CB 4.26Å; F18-N22 WeakPolarHBondContact O-CB 3.41Å; F18-N22 PolarHBondContact O-N 2.72Å; N20-N22 VanDerWaalsContact C-N 3.26Å; N20-N22 PolarHBondContact O-N 2.98Å; N22-T24 VanDerWaalsContact C-N 3.3Å; N22-T24 PolarHBondContact O-N 3.21Å; N22-S25 PolarHBondContact O-OG 2.89Å; N22-N103 PolarHBondContact ND2-ND2 3.19Å; N22-N103 PolarHBondContact ND2-OD1 3.24Å; N22-N103 PolarHBondContact OD1-ND2 3.45Å; N22-S107 PolarHBondContact ND2-N 2.85Å |
| 23 | S | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.5 | -23.2 | 179.3 | 77.5 | 0 | 0 | 0 | 0 | 113.9 | L19 N20 S21 S25 H26 M110 R206 | L19-S23 PolarHBondContact O-N 2.94Å; N20-S23 WeakPolarHBondContact O-CB 3.35Å; N20-S23 PolarHBondContact O-N 3.44Å; N20-S23 PolarHBondContact O-OG 3.05Å; S21-S23 VanDerWaalsContact C-N 3.32Å; S23-S25 PolarHBondContact O-N 3.33Å; S23-S25 VanDerWaalsContact O-N 3.16Å; S23-H26 PolarHBondContact O-N 3.38Å; S23-M110 VanDerWaalsContact CB-C 3.48Å; S23-M110 WeakPolarHBondContact CB-O 3.36Å; S23-R206 PolarHBondContact OG-NH2 3.3Å |
| 24 | T | 92.4 | Very high | 93.9 | Very high | 94 Ų | 94 | 33.7 Ų | 33.7 | 58% | 0.577 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13 | -178.6 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | N20 S21 N22 H26 | N20-T24 PolarHBondContact O-N 3.31Å; S21-T24 PolarHBondContact O-N 3.47Å; S21-T24 PolarHBondContact O-OG1 2.98Å; N22-T24 VanDerWaalsContact C-N 3.3Å; N22-T24 PolarHBondContact O-N 3.21Å; T24-H26 PolarHBondContact O-N 3.05Å |
| 25 | S | 90.3 | Very high | 94.1 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 19% | 0.189 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.4 | 171.7 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | N22 S23 H364 N365 | N22-S25 PolarHBondContact O-OG 2.89Å; S23-S25 PolarHBondContact O-N 3.33Å; S23-S25 VanDerWaalsContact O-N 3.16Å; S25-H364 WeakPolarHBondContact CB-ND1 3.39Å; S25-H364 PolarHBondContact OG-ND1 3.46Å; S25-N365 WeakPolarHBondContact O-CB 3.13Å; S25-N365 PolarHBondContact O-ND2 3.02Å |
| 26 | H | 92.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | trans | -93.7 | 100.9 | 175.2 | -65.9 | -77.6 | 0 | 0 | 0 | 110.4 | S23 T24 S31 A32 S107 R111 | S23-H26 PolarHBondContact O-N 3.38Å; T24-H26 PolarHBondContact O-N 3.05Å; H26-S31 PolarHBondContact ND1-OG 2.9Å; H26-A32 HydrophobicContact CB-CB 4.38Å; H26-S107 PolarHBondContact NE2-OG 3.22Å; H26-S107 VanDerWaalsContact NE2-OG 3.08Å; H26-R111 HydrophobicContact CB-CB 4.14Å; H26-R111 HydrophobicContact CB-CG 3.66Å; H26-R111 WeakPolarHBondContact O-CD 3.19Å; H26-R111 PolarHBondContact O-NE 2.97Å | ||
| 27 | T | 89.8 | Confident | 94.4 | Very high | 118 Ų | 118 | 27.9 Ų | 27.9 | 72% | 0.724 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -76.7 | -32.4 | 172.8 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 28 | W | 91.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 24.3 Ų | 24.3 | 9% | 0.087 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -106.3 | 122.8 | -179.3 | -179.2 | 52.6 | 0 | 0 | 0 | 111.6 | F30 S31 M253 Y254 Y260 | W28-F30 VanDerWaalsContact C-N 3.3Å; W28-F30 HydrophobicContact CD2-CB 3.97Å; W28-F30 AromaticContact CE2-CD2 3.62Å; W28-F30 AromaticContact CE2-CG 3.86Å; W28-F30 HydrophobicContact CE3-CB 4.18Å; W28-F30 HydrophobicContact CH2-CB 3.84Å; W28-F30 HydrophobicContact CH2-CD2 4.07Å; W28-F30 HydrophobicContact CH2-CG 4.47Å; W28-F30 HydrophobicContact CZ2-CB 3.62Å; W28-F30 AromaticContact CZ2-CD2 3.26Å; W28-F30 HydrophobicContact CZ2-CD2 3.26Å; W28-F30 HydrophobicContact CZ2-CE2 4.19Å; W28-F30 AromaticContact CZ2-CG 3.83Å; W28-F30 HydrophobicContact CZ2-CG 3.83Å; W28-F30 HydrophobicContact CZ3-CB 4.11Å; W28-F30 AromaticContact NE1-CD2 3.79Å; W28-F30 PolarHBondContact O-N 2.84Å; W28-S31 WeakPolarHBondContact O-CB 3.44Å; W28-S31 PolarHBondContact O-N 3.23Å; W28-S31 VanDerWaalsContact O-N 3.1Å; W28-S31 PolarHBondContact O-OG 3.31Å; W28-M253 HydrophobicContact CH2-CE 4.24Å; W28-M253 WeakPolarHBondContact CH2-O 3.38Å; W28-M253 WeakPolarHBondContact CZ2-O 3.31Å; W28-Y254 PolarHBondContact NE1-O 3.34Å; W28-Y260 AromaticContact CH2-CD1 3.77Å; W28-Y260 HydrophobicContact CH2-CD1 3.77Å; W28-Y260 AromaticContact CH2-CD2 3.64Å; W28-Y260 HydrophobicContact CH2-CD2 3.64Å; W28-Y260 AromaticContact CH2-CE1 3.92Å; W28-Y260 HydrophobicContact CH2-CE1 3.92Å; W28-Y260 AromaticContact CH2-CE2 3.8Å; W28-Y260 HydrophobicContact CH2-CE2 3.8Å; W28-Y260 AromaticContact CH2-CG 3.61Å; W28-Y260 HydrophobicContact CH2-CG 3.61Å; W28-Y260 AromaticContact CH2-CZ 3.93Å; W28-Y260 HydrophobicContact CZ2-CG 4.49Å; W28-Y260 HydrophobicContact CZ3-CD1 4.19Å; W28-Y260 HydrophobicContact CZ3-CD2 4.13Å; W28-Y260 AromaticContact CZ3-CE1 3.84Å; W28-Y260 HydrophobicContact CZ3-CE1 3.84Å; W28-Y260 AromaticContact CZ3-CE2 3.78Å; W28-Y260 HydrophobicContact CZ3-CE2 3.78Å; W28-Y260 HydrophobicContact CZ3-CG 4.31Å; W28-Y260 AromaticContact CZ3-CZ 3.61Å |
| 29 | P | 94.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 6% | 0.058 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63 | -30.4 | -171.7 | 23.6 | -34.5 | 0 | 0 | 0 | 113.9 | S31 A32 V33 L112 I215 L226 | P29-S31 PolarHBondContact O-N 2.99Å; P29-A32 WeakPolarHBondContact O-CB 3.34Å; P29-A32 PolarHBondContact O-N 3.19Å; P29-V33 PolarHBondContact O-N 3.3Å; P29-L112 HydrophobicContact CB-CD2 4.41Å; P29-I215 HydrophobicContact CB-CD1 4.22Å; P29-I215 HydrophobicContact CB-CG1 4.24Å; P29-I215 HydrophobicContact CG-CG1 4.36Å; P29-L226 HydrophobicContact CG-CD2 3.6Å |
| 30 | F | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.2 | -24.8 | 179 | -58.9 | -12.4 | 0 | 0 | 0 | 112.7 | W28 A32 V33 A34 F224 L226 S256 L257 Y260 | W28-F30 VanDerWaalsContact C-N 3.3Å; W28-F30 HydrophobicContact CD2-CB 3.97Å; W28-F30 AromaticContact CE2-CD2 3.62Å; W28-F30 AromaticContact CE2-CG 3.86Å; W28-F30 HydrophobicContact CE3-CB 4.18Å; W28-F30 HydrophobicContact CH2-CB 3.84Å; W28-F30 HydrophobicContact CH2-CD2 4.07Å; W28-F30 HydrophobicContact CH2-CG 4.47Å; W28-F30 HydrophobicContact CZ2-CB 3.62Å; W28-F30 AromaticContact CZ2-CD2 3.26Å; W28-F30 HydrophobicContact CZ2-CD2 3.26Å; W28-F30 HydrophobicContact CZ2-CE2 4.19Å; W28-F30 AromaticContact CZ2-CG 3.83Å; W28-F30 HydrophobicContact CZ2-CG 3.83Å; W28-F30 HydrophobicContact CZ3-CB 4.11Å; W28-F30 AromaticContact NE1-CD2 3.79Å; W28-F30 PolarHBondContact O-N 2.84Å; F30-A32 VanDerWaalsContact C-N 3.26Å; F30-A32 PolarHBondContact O-N 3.03Å; F30-V33 PolarHBondContact O-N 2.97Å; F30-A34 PolarHBondContact O-N 2.94Å; F30-F224 HydrophobicContact CE1-CB 4.5Å; F30-F224 VanDerWaalsContact CZ-O 3.25Å; F30-F224 WeakPolarHBondContact CZ-O 3.38Å; F30-L226 HydrophobicContact CE1-CD2 4.32Å; F30-L226 HydrophobicContact CE2-CG 4.39Å; F30-L226 HydrophobicContact CZ-CD2 4.26Å; F30-L226 HydrophobicContact CZ-CG 4.06Å; F30-S256 VanDerWaalsContact CE2-C 3.49Å; F30-L257 HydrophobicContact CB-CD1 3.84Å; F30-L257 HydrophobicContact CD1-CB 4.14Å; F30-L257 HydrophobicContact CD1-CD1 3.93Å; F30-L257 HydrophobicContact CD1-CG 4.47Å; F30-L257 HydrophobicContact CD2-CB 4.19Å; F30-L257 HydrophobicContact CD2-CD1 4.12Å; F30-L257 HydrophobicContact CE1-CB 3.92Å; F30-L257 HydrophobicContact CE2-CB 4.01Å; F30-L257 VanDerWaalsContact CE2-N 3.27Å; F30-L257 HydrophobicContact CG-CB 4.3Å; F30-L257 HydrophobicContact CG-CD1 3.71Å; F30-L257 HydrophobicContact CZ-CB 3.87Å; F30-Y260 HydrophobicContact CB-CD1 3.82Å; F30-Y260 HydrophobicContact CB-CE1 4.07Å |
| 31 | S | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.3 | -34.2 | 171 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | H26 W28 P29 A34 E35 Q367 | H26-S31 PolarHBondContact ND1-OG 2.9Å; W28-S31 WeakPolarHBondContact O-CB 3.44Å; W28-S31 PolarHBondContact O-N 3.23Å; W28-S31 VanDerWaalsContact O-N 3.1Å; W28-S31 PolarHBondContact O-OG 3.31Å; P29-S31 PolarHBondContact O-N 2.99Å; S31-A34 PolarHBondContact O-N 3.25Å; S31-E35 PolarHBondContact O-N 3.28Å; S31-Q367 VanDerWaalsContact CB-CG 3.47Å |
| 32 | A | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -73.4 | -36.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | H26 P29 F30 A34 E35 R111 L112 | H26-A32 HydrophobicContact CB-CB 4.38Å; P29-A32 WeakPolarHBondContact O-CB 3.34Å; P29-A32 PolarHBondContact O-N 3.19Å; F30-A32 VanDerWaalsContact C-N 3.26Å; F30-A32 PolarHBondContact O-N 3.03Å; A32-A34 VanDerWaalsContact C-N 3.32Å; A32-E35 PolarHBondContact O-N 2.54Å; A32-R111 HydrophobicContact CB-CB 3.81Å; A32-R111 HydrophobicContact CB-CG 3.77Å; A32-L112 HydrophobicContact CB-CD1 4.48Å; A32-L112 HydrophobicContact CB-CD2 4.15Å; A32-L112 HydrophobicContact CB-CG 4Å |
| 33 | V | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 170.5 | 178.2 | 0 | 0 | 0 | 0 | 110 | P29 F30 E35 L36 I37 I52 F65 L112 L257 | P29-V33 PolarHBondContact O-N 3.3Å; F30-V33 PolarHBondContact O-N 2.97Å; V33-E35 VanDerWaalsContact C-N 3.29Å; V33-E35 PolarHBondContact O-N 3.27Å; V33-L36 WeakPolarHBondContact O-CB 3.22Å; V33-L36 PolarHBondContact O-N 2.81Å; V33-I37 HydrophobicContact CG1-CD1 4.02Å; V33-I37 PolarHBondContact O-N 2.96Å; V33-I52 HydrophobicContact CG1-CD1 4.17Å; V33-F65 HydrophobicContact CB-CE1 4.45Å; V33-F65 HydrophobicContact CG1-CE1 3.68Å; V33-F65 HydrophobicContact CG1-CZ 4.19Å; V33-F65 HydrophobicContact CG2-CZ 4.36Å; V33-L112 HydrophobicContact CG2-CD1 4.17Å; V33-L112 HydrophobicContact CG2-CD2 3.99Å; V33-L257 HydrophobicContact CB-CD1 4.31Å; V33-L257 HydrophobicContact CG1-CD1 4.03Å; V33-L257 HydrophobicContact CG1-CD2 3.86Å; V33-L257 HydrophobicContact CG2-CD2 4.4Å |
| 34 | A | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -32.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F30 S31 A32 L36 I37 D38 Y260 L264 | F30-A34 PolarHBondContact O-N 2.94Å; S31-A34 PolarHBondContact O-N 3.25Å; A32-A34 VanDerWaalsContact C-N 3.32Å; A34-L36 VanDerWaalsContact C-N 3.26Å; A34-L36 PolarHBondContact O-N 2.83Å; A34-I37 PolarHBondContact O-N 3.37Å; A34-D38 WeakPolarHBondContact O-CB 3.41Å; A34-D38 PolarHBondContact O-N 3.3Å; A34-Y260 HydrophobicContact CB-CE1 3.9Å; A34-L264 HydrophobicContact CB-CD1 4.01Å; A34-L264 HydrophobicContact CB-CD2 3.93Å |
| 35 | E | 96.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.5 | -36.7 | 172 | -76.8 | -67.3 | 165 | 0 | 0 | 112.9 | S31 A32 V33 N39 G104 K366 | S31-E35 PolarHBondContact O-N 3.28Å; A32-E35 PolarHBondContact O-N 2.54Å; V33-E35 VanDerWaalsContact C-N 3.29Å; V33-E35 PolarHBondContact O-N 3.27Å; E35-N39 PolarHBondContact O-N 3.15Å; E35-N39 PolarHBondContact O-ND2 2.89Å; E35-G104 WeakPolarHBondContact CB-O 3.42Å; E35-G104 WeakPolarHBondContact OE2-CA 3.25Å; E35-K366 WeakPolarHBondContact OE1-CD 3.4Å; E35-K366 WeakPolarHBondContact OE1-CE 3.27Å; E35-K366 IonicContact OE1-NZ 2.72Å; E35-K366 PolarHBondContact OE1-NZ 2.88Å; E35-K366 IonicContact OE2-NZ 3.28Å; E35-K366 PolarHBondContact OE2-NZ 3.47Å |
| 36 | L | 97.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.7 | -37.8 | 178.9 | -56.9 | -176.8 | 0 | 0 | 0 | 111.3 | V33 A34 N39 A40 F65 F105 L112 I200 I202 | V33-L36 WeakPolarHBondContact O-CB 3.22Å; V33-L36 PolarHBondContact O-N 2.81Å; A34-L36 VanDerWaalsContact C-N 3.26Å; A34-L36 PolarHBondContact O-N 2.83Å; L36-N39 PolarHBondContact O-N 2.69Å; L36-A40 PolarHBondContact O-N 3.4Å; L36-F65 HydrophobicContact CB-CD1 4.01Å; L36-F65 HydrophobicContact CB-CE1 4.27Å; L36-F65 HydrophobicContact CB-CG 4.39Å; L36-F65 HydrophobicContact CD1-CD1 3.9Å; L36-F65 HydrophobicContact CD1-CD2 3.56Å; L36-F65 HydrophobicContact CD1-CE1 3.84Å; L36-F65 HydrophobicContact CD1-CE2 3.5Å; L36-F65 HydrophobicContact CD1-CG 3.79Å; L36-F65 HydrophobicContact CD1-CZ 3.66Å; L36-F105 HydrophobicContact CD2-CD2 3.67Å; L36-F105 HydrophobicContact CD2-CE2 4.28Å; L36-L112 HydrophobicContact CD1-CD1 4.05Å; L36-I200 HydrophobicContact CD2-CD1 4.21Å; L36-I202 HydrophobicContact CD1-CD1 3.92Å |
| 37 | I | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.1 | -39.7 | 176.6 | -56.3 | 171.6 | 0 | 0 | 0 | 111.2 | V33 A34 N39 A40 S41 I50 I52 L261 L264 Y265 V272 | V33-I37 HydrophobicContact CG1-CD1 4.02Å; V33-I37 PolarHBondContact O-N 2.96Å; A34-I37 PolarHBondContact O-N 3.37Å; I37-N39 PolarHBondContact O-N 3.13Å; I37-A40 PolarHBondContact O-N 3.35Å; I37-A40 VanDerWaalsContact O-N 3.17Å; I37-S41 WeakPolarHBondContact O-CB 3.42Å; I37-S41 PolarHBondContact O-N 2.81Å; I37-S41 PolarHBondContact O-OG 2.99Å; I37-I50 HydrophobicContact CG1-CD1 4.2Å; I37-I50 HydrophobicContact CG2-CG2 4.35Å; I37-I52 HydrophobicContact CD1-CD1 3.62Å; I37-I52 HydrophobicContact CG1-CD1 3.91Å; I37-L261 HydrophobicContact CD1-CD1 4.2Å; I37-L261 HydrophobicContact CD1-CD2 3.22Å; I37-L261 HydrophobicContact CD1-CG 4.32Å; I37-L264 HydrophobicContact CD1-CD2 4.35Å; I37-L264 HydrophobicContact CG2-CD2 4.41Å; I37-Y265 HydrophobicContact CG2-CE2 3.94Å; I37-Y265 WeakPolarHBondContact CG2-OH 3.43Å; I37-V272 HydrophobicContact CG2-CG2 4.23Å |
| 38 | D | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.2 | -41.8 | 175.6 | -69.1 | -20.8 | 0 | 0 | 0 | 110.4 | A34 A40 S41 D42 I98 Y265 R328 K366 | A34-D38 WeakPolarHBondContact O-CB 3.41Å; A34-D38 PolarHBondContact O-N 3.3Å; D38-A40 PolarHBondContact O-N 3.31Å; D38-S41 PolarHBondContact O-N 3.46Å; D38-D42 VanDerWaalsContact O-CG 3.28Å; D38-D42 PolarHBondContact O-N 3.49Å; D38-I98 HydrophobicContact CB-CB 4.38Å; D38-I98 HydrophobicContact CB-CD1 4.28Å; D38-I98 HydrophobicContact CB-CG2 4.06Å; D38-Y265 WeakPolarHBondContact CA-OH 3.42Å; D38-Y265 PolarHBondContact N-OH 3.34Å; D38-Y265 PolarHBondContact OD1-OH 2.85Å; D38-R328 WeakPolarHBondContact OD1-CD 3.31Å; D38-R328 IonicContact OD1-CZ 2.82Å; D38-R328 IonicContact OD1-NE 3.17Å; D38-R328 PolarHBondContact OD1-NE 3.39Å; D38-R328 IonicContact OD1-NH2 3.69Å; D38-R328 IonicContact OD2-CZ 3.77Å; D38-R328 IonicContact OD2-NE 2.7Å; D38-R328 PolarHBondContact OD2-NE 3.33Å; D38-R328 VanDerWaalsContact OD2-NE 3.14Å; D38-R328 IonicContact OD2-NH2 2.62Å; D38-R328 PolarHBondContact OD2-NH2 2.83Å; D38-K366 IonicContact OD2-NZ 3.97Å; D38-K366 PolarHBondContact OD2-NZ 2.78Å |
| 39 | N | 93.8 | Very high | 92.7 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 21% | 0.214 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66 | -36.8 | 178.3 | -74.3 | -49.4 | 0 | 0 | 0 | 113.5 | E35 L36 I37 V45 K88 | E35-N39 PolarHBondContact O-N 3.15Å; E35-N39 PolarHBondContact O-ND2 2.89Å; L36-N39 PolarHBondContact O-N 2.69Å; I37-N39 PolarHBondContact O-N 3.13Å; N39-V45 VanDerWaalsContact O-CG2 3.22Å; N39-V45 WeakPolarHBondContact O-CG2 3.35Å; N39-K88 PolarHBondContact OD1-NZ 2.73Å |
| 40 | A | 94.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.8 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L36 I37 D38 V45 A47 I50 D67 | L36-A40 PolarHBondContact O-N 3.4Å; I37-A40 PolarHBondContact O-N 3.35Å; I37-A40 VanDerWaalsContact O-N 3.17Å; D38-A40 PolarHBondContact O-N 3.31Å; A40-V45 WeakPolarHBondContact O-CG1 3.34Å; A40-A47 HydrophobicContact CB-CB 4.15Å; A40-A47 VanDerWaalsContact O-CB 3.3Å; A40-A47 WeakPolarHBondContact O-CB 3.4Å; A40-A47 PolarHBondContact O-N 3.41Å; A40-A47 VanDerWaalsContact O-N 3.11Å; A40-I50 HydrophobicContact CB-CD1 3.84Å; A40-D67 HydrophobicContact CB-CB 3.92Å |
| 41 | S | 91.7 | Very high | 92.9 | Very high | 23 Ų | 23 | 24.9 Ų | 24.9 | 16% | 0.161 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -84.2 | -13.3 | -177.1 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | I37 D38 T270 | I37-S41 WeakPolarHBondContact O-CB 3.42Å; I37-S41 PolarHBondContact O-N 2.81Å; I37-S41 PolarHBondContact O-OG 2.99Å; D38-S41 PolarHBondContact O-N 3.46Å; S41-T270 VanDerWaalsContact CB-OG1 3.31Å; S41-T270 WeakPolarHBondContact CB-OG1 3.46Å; S41-T270 WeakPolarHBondContact OG-CB 3.27Å; S41-T270 PolarHBondContact OG-OG1 3.14Å |
| 42 | D | 88.4 | Confident | 93.1 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -63 | 146.9 | -178.2 | -92.2 | -30 | 0 | 0 | 0 | 111.9 | D38 G44 V45 C46 K88 A97 I98 G99 | D38-D42 VanDerWaalsContact O-CG 3.28Å; D38-D42 PolarHBondContact O-N 3.49Å; D42-G44 PolarHBondContact O-N 2.93Å; D42-V45 PolarHBondContact O-N 3.43Å; D42-C46 PolarHBondContact O-N 3.42Å; D42-K88 WeakPolarHBondContact OD2-CD 3.48Å; D42-K88 VanDerWaalsContact OD2-CE 3.27Å; D42-K88 WeakPolarHBondContact OD2-CE 3.45Å; D42-K88 IonicContact OD2-NZ 2.75Å; D42-K88 PolarHBondContact OD2-NZ 2.79Å; D42-A97 WeakPolarHBondContact OD1-CA 3.32Å; D42-I98 PolarHBondContact OD1-N 2.84Å; D42-G99 PolarHBondContact OD2-N 3.04Å |
| 43 | P | 80.9 | Confident | 93.2 | Very high | 44 Ų | 44 | 27.1 Ų | 27.1 | 29% | 0.286 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -16.6 | -174.5 | -26 | 33.1 | 0 | 0 | 0 | 116.4 | C46 Q95 | P43-C46 VanDerWaalsContact C-SG 3.53Å; P43-C46 PolarHBondContact O-SG 2.98Å; P43-Q95 HydrophobicContact CG-CB 3.87Å; P43-Q95 WeakPolarHBondContact CG-O 3.48Å |
| 44 | G | 78.4 | Confident | 93.1 | Very high | 51 Ų | 51 | 27.7 Ų | 27.7 | 53% | 0.526 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -11.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D42 S70 | D42-G44 PolarHBondContact O-N 2.93Å; G44-S70 PolarHBondContact O-OG 3.27Å |
| 45 | V | 85.1 | Confident | 93.1 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 16% | 0.158 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -45.6 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | N39 A40 D42 A47 G69 S70 | N39-V45 VanDerWaalsContact O-CG2 3.22Å; N39-V45 WeakPolarHBondContact O-CG2 3.35Å; A40-V45 WeakPolarHBondContact O-CG1 3.34Å; D42-V45 PolarHBondContact O-N 3.43Å; V45-A47 HydrophobicContact CG1-CB 4.45Å; V45-A47 PolarHBondContact O-N 3.47Å; V45-G69 WeakPolarHBondContact O-CA 3.42Å; V45-S70 WeakPolarHBondContact CA-OG 3.36Å; V45-S70 PolarHBondContact O-N 3.27Å |
| 46 | C | 82.8 | Confident | 93 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 55% | 0.554 | 20% | 0.202 | S | C | * | . | trans | 48.7 | 41.9 | 177.1 | -70.2 | 0 | 0 | 0 | 0 | 113.2 | D42 P43 K48 | D42-C46 PolarHBondContact O-N 3.42Å; P43-C46 VanDerWaalsContact C-SG 3.53Å; P43-C46 PolarHBondContact O-SG 2.98Å; C46-K48 PolarHBondContact O-N 2.92Å | ||
| 47 | A | 93.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | trans | -60.4 | 131.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | A40 V45 Q49 D67 T270 | A40-A47 HydrophobicContact CB-CB 4.15Å; A40-A47 VanDerWaalsContact O-CB 3.3Å; A40-A47 WeakPolarHBondContact O-CB 3.4Å; A40-A47 PolarHBondContact O-N 3.41Å; A40-A47 VanDerWaalsContact O-N 3.11Å; V45-A47 HydrophobicContact CG1-CB 4.45Å; V45-A47 PolarHBondContact O-N 3.47Å; A47-Q49 VanDerWaalsContact C-N 3.35Å; A47-D67 HydrophobicContact CB-CB 3.82Å; A47-T270 WeakPolarHBondContact O-CG2 3.44Å; A47-T270 PolarHBondContact O-OG1 3.48Å | ||
| 48 | K | 94.5 | Very high | 92.4 | Very high | 109 Ų | 109 | 43.7 Ų | 43.7 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -74.2 | -35.7 | 171.8 | -65 | -164.7 | 175.7 | -169.4 | 0 | 110.5 | C46 N68 Q271 E428 L430 | C46-K48 PolarHBondContact O-N 2.92Å; K48-N68 PolarHBondContact N-OD1 3.5Å; K48-Q271 PolarHBondContact O-N 3.43Å; K48-E428 PolarHBondContact NZ-O 3.44Å; K48-L430 HydrophobicContact CB-CD1 3.97Å; K48-L430 HydrophobicContact CD-CD1 4.4Å; K48-L430 HydrophobicContact CG-CD1 3.92Å |
| 49 | Q | 96.6 | Very high | 92.1 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 143.9 | -174.3 | -74.6 | 167.4 | -27.8 | 0 | 0 | 110.6 | A47 W51 D67 N68 Q271 I273 | A47-Q49 VanDerWaalsContact C-N 3.35Å; Q49-W51 HydrophobicContact CB-CE3 4.38Å; Q49-W51 HydrophobicContact CB-CH2 3.4Å; Q49-W51 VanDerWaalsContact CB-CH2 3.4Å; Q49-W51 HydrophobicContact CB-CZ2 3.74Å; Q49-W51 HydrophobicContact CB-CZ3 3.76Å; Q49-W51 HydrophobicContact CG-CH2 4.28Å; Q49-W51 HydrophobicContact CG-CZ2 4.29Å; Q49-D67 WeakPolarHBondContact O-CA 3.27Å; Q49-N68 PolarHBondContact N-OD1 3.08Å; Q49-N68 PolarHBondContact O-N 3.25Å; Q49-N68 PolarHBondContact O-OD1 3.23Å; Q49-Q271 CarbonylContact C-O 3.56Å; Q49-Q271 VanDerWaalsContact CA-O 3.3Å; Q49-Q271 WeakPolarHBondContact CA-O 3.09Å; Q49-Q271 HydrophobicContact CG-CB 3.87Å; Q49-I273 HydrophobicContact CB-CD1 3.92Å; Q49-I273 HydrophobicContact CG-CD1 3.94Å |
| 50 | I | 98.3 | Very high | 92 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.6 | 166.6 | -174.5 | 173.4 | 0 | 0 | 0 | 109.4 | I37 A40 I52 T66 D67 T270 Q271 V272 I273 | I37-I50 HydrophobicContact CG1-CD1 4.2Å; I37-I50 HydrophobicContact CG2-CG2 4.35Å; A40-I50 HydrophobicContact CB-CD1 3.84Å; I50-I52 HydrophobicContact CG1-CG1 4.43Å; I50-T66 CarbonylContact C-O 3.58Å; I50-T66 VanDerWaalsContact CA-O 3.28Å; I50-T66 WeakPolarHBondContact CA-O 3.19Å; I50-T66 WeakPolarHBondContact CG1-O 3.2Å; I50-D67 HydrophobicContact CB-CB 4.35Å; I50-D67 HydrophobicContact CG1-CB 4.31Å; I50-T270 HydrophobicContact CG2-CG2 4.08Å; I50-Q271 PolarHBondContact N-O 2.95Å; I50-V272 HydrophobicContact CG2-CB 4.24Å; I50-V272 HydrophobicContact CG2-CG1 4.11Å; I50-V272 HydrophobicContact CG2-CG2 3.87Å; I50-I273 PolarHBondContact O-N 3.48Å |
| 51 | W | 98.6 | Very high | 92.1 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.1 | 175.9 | -62.8 | -95 | 0 | 0 | 0 | 109.7 | Q49 F65 T66 N68 P193 I273 | Q49-W51 HydrophobicContact CB-CE3 4.38Å; Q49-W51 HydrophobicContact CB-CH2 3.4Å; Q49-W51 VanDerWaalsContact CB-CH2 3.4Å; Q49-W51 HydrophobicContact CB-CZ2 3.74Å; Q49-W51 HydrophobicContact CB-CZ3 3.76Å; Q49-W51 HydrophobicContact CG-CH2 4.28Å; Q49-W51 HydrophobicContact CG-CZ2 4.29Å; W51-F65 CarbonylContact O-C 3.59Å; W51-F65 WeakPolarHBondContact O-CA 3.42Å; W51-T66 VanDerWaalsContact CE3-O 3.32Å; W51-T66 PolarHBondContact N-O 3.15Å; W51-T66 PolarHBondContact O-N 3.15Å; W51-N68 HydrophobicContact CH2-CB 4.32Å; W51-N68 HydrophobicContact CZ3-CB 4.06Å; W51-P193 HydrophobicContact CE3-CG 4.43Å; W51-P193 HydrophobicContact CH2-CG 3.76Å; W51-P193 HydrophobicContact CZ3-CG 3.67Å; W51-I273 CarbonylContact C-O 3.53Å; W51-I273 WeakPolarHBondContact CA-O 3.21Å; W51-I273 HydrophobicContact CD2-CD1 4.38Å; W51-I273 HydrophobicContact CG-CB 4.19Å; W51-I273 HydrophobicContact CG-CD1 4.43Å; W51-I273 HydrophobicContact CZ2-CD1 4.47Å |
| 52 | I | 98.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122 | 179.2 | -52 | 176.1 | 0 | 0 | 0 | 107.5 | V33 I37 I50 T64 F65 F224 L261 V272 I273 L274 R275 | V33-I52 HydrophobicContact CG1-CD1 4.17Å; I37-I52 HydrophobicContact CD1-CD1 3.62Å; I37-I52 HydrophobicContact CG1-CD1 3.91Å; I50-I52 HydrophobicContact CG1-CG1 4.43Å; I52-T64 WeakPolarHBondContact CA-O 3.33Å; I52-F65 HydrophobicContact CB-CD1 4.49Å; I52-F65 HydrophobicContact CD1-CD1 4.24Å; I52-F65 HydrophobicContact CD1-CE1 4.15Å; I52-F65 HydrophobicContact CG1-CD1 3.88Å; I52-F65 HydrophobicContact CG1-CE1 4.12Å; I52-F65 HydrophobicContact CG2-CD1 4.08Å; I52-F65 HydrophobicContact CG2-CE1 3.7Å; I52-F65 HydrophobicContact CG2-CZ 4.14Å; I52-F224 HydrophobicContact CG2-CD2 4.41Å; I52-F224 HydrophobicContact CG2-CE2 3.6Å; I52-F224 HydrophobicContact CG2-CZ 4.14Å; I52-L261 HydrophobicContact CD1-CD1 4.22Å; I52-V272 HydrophobicContact CD1-CG1 3.73Å; I52-V272 HydrophobicContact CG1-CG1 4.36Å; I52-I273 PolarHBondContact N-O 3.47Å; I52-L274 HydrophobicContact CB-CD1 3.89Å; I52-L274 HydrophobicContact CG2-CD1 3.8Å; I52-L274 WeakPolarHBondContact O-CA 3.06Å; I52-R275 PolarHBondContact O-N 2.95Å |
| 53 | D | 98.4 | Very high | 92.9 | Very high | 45 Ų | 45 | 52 Ų | 52 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 166.8 | -178.7 | -141.2 | -35.5 | 0 | 0 | 0 | 112.2 | L63 T64 R275 | D53-L63 CarbonylContact O-C 3.4Å; D53-L63 WeakPolarHBondContact O-CA 3.26Å; D53-T64 WeakPolarHBondContact CB-OG1 3.48Å; D53-T64 PolarHBondContact N-O 3.14Å; D53-T64 VanDerWaalsContact N-O 3.08Å; D53-T64 PolarHBondContact O-N 2.8Å; D53-T64 PolarHBondContact O-OG1 3.03Å; D53-R275 WeakPolarHBondContact OD1-CD 3.41Å; D53-R275 IonicContact OD1-CZ 2.66Å; D53-R275 IonicContact OD1-NE 2.94Å; D53-R275 IonicContact OD1-NH1 3.87Å; D53-R275 PolarHBondContact OD1-NH1 2.68Å |
| 54 | V | 97.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.9 | 167.7 | 62.7 | 0 | 0 | 0 | 0 | 108.9 | L61 C62 L63 F217 F224 R275 | V54-L61 HydrophobicContact CG2-CB 4.48Å; V54-L61 HydrophobicContact CG2-CD2 3.99Å; V54-C62 WeakPolarHBondContact CA-O 3.34Å; V54-L63 HydrophobicContact CB-CD2 4.15Å; V54-L63 HydrophobicContact CG2-CD2 4.36Å; V54-F217 HydrophobicContact CB-CD1 4.08Å; V54-F217 HydrophobicContact CB-CE1 4.19Å; V54-F217 HydrophobicContact CB-CG 4.4Å; V54-F217 HydrophobicContact CG1-CB 4.02Å; V54-F217 HydrophobicContact CG1-CD1 3.73Å; V54-F217 HydrophobicContact CG1-CE1 4.34Å; V54-F217 HydrophobicContact CG1-CG 3.87Å; V54-F217 HydrophobicContact CG2-CD1 4.38Å; V54-F217 HydrophobicContact CG2-CD2 4.28Å; V54-F217 HydrophobicContact CG2-CE1 4.37Å; V54-F217 HydrophobicContact CG2-CE2 4.28Å; V54-F217 HydrophobicContact CG2-CG 4.34Å; V54-F217 HydrophobicContact CG2-CZ 4.32Å; V54-F224 HydrophobicContact CB-CE1 4.07Å; V54-F224 HydrophobicContact CB-CZ 4.14Å; V54-F224 HydrophobicContact CG1-CE1 3.92Å; V54-F224 HydrophobicContact CG1-CZ 4.48Å; V54-R275 PolarHBondContact O-NH1 3.31Å |
| 55 | V | 96 | Very high | 94.7 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.7 | -178.4 | -58.9 | 0 | 0 | 0 | 0 | 110 | I57 C62 T64 | V55-I57 HydrophobicContact CG2-CD1 4.12Å; V55-I57 HydrophobicContact CG2-CG1 4.09Å; V55-C62 HydrophobicContact CG2-CB 4.1Å; V55-C62 PolarHBondContact N-O 2.7Å; V55-C62 PolarHBondContact O-N 3.46Å; V55-T64 HydrophobicContact CG1-CG2 4.4Å; V55-T64 HydrophobicContact CG2-CG2 3.74Å |
| 56 | K | 95.4 | Very high | 95.3 | Very high | 134 Ų | 134 | 47.5 Ų | 47.5 | 58% | 0.583 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.9 | 172.1 | -151.6 | -173.6 | -160.7 | -157.7 | 0 | 108.6 | D59 Q60 | K56-D59 VanDerWaalsContact CE-CA 3.48Å; K56-D59 VanDerWaalsContact CE-O 3.26Å; K56-D59 WeakPolarHBondContact CE-O 3.31Å; K56-D59 WeakPolarHBondContact CE-OD1 3.39Å; K56-D59 IonicContact NZ-OD1 2.64Å; K56-D59 PolarHBondContact NZ-OD1 3.39Å; K56-Q60 WeakPolarHBondContact CA-O 3.4Å |
| 57 | I | 93.4 | Very high | 96.1 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.7 | 174.8 | -60.2 | 173.6 | 0 | 0 | 0 | 106 | V55 D59 Q60 C62 I178 L201 | V55-I57 HydrophobicContact CG2-CD1 4.12Å; V55-I57 HydrophobicContact CG2-CG1 4.09Å; I57-D59 VanDerWaalsContact C-N 3.3Å; I57-D59 PolarHBondContact O-N 2.91Å; I57-Q60 PolarHBondContact N-O 2.69Å; I57-Q60 WeakPolarHBondContact O-CA 3.12Å; I57-Q60 VanDerWaalsContact O-CB 3.28Å; I57-Q60 WeakPolarHBondContact O-CB 3.34Å; I57-Q60 PolarHBondContact O-N 3Å; I57-C62 HydrophobicContact CD1-CB 4.47Å; I57-I178 HydrophobicContact CD1-CD1 4.4Å; I57-L201 HydrophobicContact CD1-CD1 3.86Å; I57-L201 HydrophobicContact CD1-CD2 3.96Å |
| 58 | D | 87.8 | Confident | 96.2 | Very high | 125 Ų | 125 | 45.9 Ų | 45.9 | 67% | 0.668 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 52.4 | -175.4 | -63.2 | -12.2 | 0 | 0 | 0 | 113 | Q60 | D58-Q60 PolarHBondContact O-N 3.18Š|
| 59 | D | 88.2 | Confident | 96.3 | Very high | 129 Ų | 129 | 41 Ų | 41 | 69% | 0.69 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 3 | -175 | -70.1 | -47.8 | 0 | 0 | 0 | 116.8 | K56 I57 | K56-D59 VanDerWaalsContact CE-CA 3.48Å; K56-D59 VanDerWaalsContact CE-O 3.26Å; K56-D59 WeakPolarHBondContact CE-O 3.31Å; K56-D59 WeakPolarHBondContact CE-OD1 3.39Å; K56-D59 IonicContact NZ-OD1 2.64Å; K56-D59 PolarHBondContact NZ-OD1 3.39Å; I57-D59 VanDerWaalsContact C-N 3.3Å; I57-D59 PolarHBondContact O-N 2.91Å |
| 60 | Q | 93 | Very high | 96.3 | Very high | 51 Ų | 51 | 40.3 Ų | 40.3 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.9 | 178.3 | -174 | 159.4 | 21.5 | 0 | 0 | 112.4 | K56 I57 D58 C62 I178 W203 N204 | K56-Q60 WeakPolarHBondContact CA-O 3.4Å; I57-Q60 PolarHBondContact N-O 2.69Å; I57-Q60 WeakPolarHBondContact O-CA 3.12Å; I57-Q60 VanDerWaalsContact O-CB 3.28Å; I57-Q60 WeakPolarHBondContact O-CB 3.34Å; I57-Q60 PolarHBondContact O-N 3Å; D58-Q60 PolarHBondContact O-N 3.18Å; Q60-C62 PolarHBondContact O-N 2.52Å; Q60-C62 PolarHBondContact O-SG 2.9Å; Q60-C62 VanDerWaalsContact O-SG 3.34Å; Q60-I178 VanDerWaalsContact OE1-CG2 3.23Å; Q60-W203 HydrophobicContact CG-CB 4.31Å; Q60-N204 VanDerWaalsContact NE2-CG 3.27Å; Q60-N204 PolarHBondContact NE2-OD1 2.99Å |
| 61 | L | 96.1 | Very high | 96.2 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 32% | 0.319 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 128 | 170.7 | -71.2 | 172.4 | 0 | 0 | 0 | 110.7 | V54 I205 T213 | V54-L61 HydrophobicContact CG2-CB 4.48Å; V54-L61 HydrophobicContact CG2-CD2 3.99Å; L61-I205 HydrophobicContact CB-CD1 3.97Å; L61-I205 WeakPolarHBondContact O-CD1 3.45Å; L61-T213 HydrophobicContact CD1-CG2 4.37Å |
| 62 | C | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.2 | -178.2 | -58 | 0 | 0 | 0 | 0 | 110.3 | V54 V55 I57 Q60 L201 I202 W203 | V54-C62 WeakPolarHBondContact CA-O 3.34Å; V55-C62 HydrophobicContact CG2-CB 4.1Å; V55-C62 PolarHBondContact N-O 2.7Å; V55-C62 PolarHBondContact O-N 3.46Å; I57-C62 HydrophobicContact CD1-CB 4.47Å; Q60-C62 PolarHBondContact O-N 2.52Å; Q60-C62 PolarHBondContact O-SG 2.9Å; Q60-C62 VanDerWaalsContact O-SG 3.34Å; C62-L201 HydrophobicContact CB-CD1 3.62Å; C62-L201 HydrophobicContact CB-CG 4.42Å; C62-I202 CarbonylContact C-O 3.22Å; C62-I202 VanDerWaalsContact CA-O 3.26Å; C62-I202 WeakPolarHBondContact CA-O 3.45Å; C62-W203 HydrophobicContact CB-CB 4.49Å |
| 63 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.8 | 168.9 | -65.4 | 173.4 | 0 | 0 | 0 | 109.6 | D53 V54 F65 L112 L201 I202 I205 F217 F224 | D53-L63 CarbonylContact O-C 3.4Å; D53-L63 WeakPolarHBondContact O-CA 3.26Å; V54-L63 HydrophobicContact CB-CD2 4.15Å; V54-L63 HydrophobicContact CG2-CD2 4.36Å; L63-F65 HydrophobicContact CB-CE2 3.95Å; L63-L112 HydrophobicContact CD1-CB 4.06Å; L63-L112 HydrophobicContact CD1-CD1 4.32Å; L63-L112 HydrophobicContact CD1-CD2 4.34Å; L63-L112 HydrophobicContact CD1-CG 4.47Å; L63-L201 WeakPolarHBondContact O-CA 3.33Å; L63-I202 HydrophobicContact CB-CB 4.33Å; L63-I202 PolarHBondContact N-O 3.28Å; L63-I202 PolarHBondContact O-N 2.72Å; L63-I205 HydrophobicContact CD1-CD1 4.47Å; L63-I205 HydrophobicContact CD2-CD1 4.45Å; L63-I205 HydrophobicContact CG-CD1 3.83Å; L63-I205 HydrophobicContact CG-CG1 4.3Å; L63-F217 HydrophobicContact CD2-CE1 3.68Å; L63-F217 HydrophobicContact CD2-CZ 3.69Å; L63-F224 HydrophobicContact CD2-CE2 3.63Å; L63-F224 HydrophobicContact CD2-CZ 3.61Å |
| 64 | T | 98.5 | Very high | 95.8 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.8 | 176.8 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | I52 D53 V55 I200 L201 | I52-T64 WeakPolarHBondContact CA-O 3.33Å; D53-T64 WeakPolarHBondContact CB-OG1 3.48Å; D53-T64 PolarHBondContact N-O 3.14Å; D53-T64 VanDerWaalsContact N-O 3.08Å; D53-T64 PolarHBondContact O-N 2.8Å; D53-T64 PolarHBondContact O-OG1 3.03Å; V55-T64 HydrophobicContact CG1-CG2 4.4Å; V55-T64 HydrophobicContact CG2-CG2 3.74Å; T64-I200 CarbonylContact C-O 3.47Å; T64-I200 VanDerWaalsContact CA-O 3.31Å; T64-I200 WeakPolarHBondContact CA-O 3.07Å; T64-L201 HydrophobicContact CG2-CD1 3.64Å |
| 65 | F | 98.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 108 | 172.1 | -60.2 | -100.3 | 0 | 0 | 0 | 107.3 | V33 L36 W51 I52 L63 L112 K199 I200 I202 | V33-F65 HydrophobicContact CB-CE1 4.45Å; V33-F65 HydrophobicContact CG1-CE1 3.68Å; V33-F65 HydrophobicContact CG1-CZ 4.19Å; V33-F65 HydrophobicContact CG2-CZ 4.36Å; L36-F65 HydrophobicContact CB-CD1 4.01Å; L36-F65 HydrophobicContact CB-CE1 4.27Å; L36-F65 HydrophobicContact CB-CG 4.39Å; L36-F65 HydrophobicContact CD1-CD1 3.9Å; L36-F65 HydrophobicContact CD1-CD2 3.56Å; L36-F65 HydrophobicContact CD1-CE1 3.84Å; L36-F65 HydrophobicContact CD1-CE2 3.5Å; L36-F65 HydrophobicContact CD1-CG 3.79Å; L36-F65 HydrophobicContact CD1-CZ 3.66Å; W51-F65 CarbonylContact O-C 3.59Å; W51-F65 WeakPolarHBondContact O-CA 3.42Å; I52-F65 HydrophobicContact CB-CD1 4.49Å; I52-F65 HydrophobicContact CD1-CD1 4.24Å; I52-F65 HydrophobicContact CD1-CE1 4.15Å; I52-F65 HydrophobicContact CG1-CD1 3.88Å; I52-F65 HydrophobicContact CG1-CE1 4.12Å; I52-F65 HydrophobicContact CG2-CD1 4.08Å; I52-F65 HydrophobicContact CG2-CE1 3.7Å; I52-F65 HydrophobicContact CG2-CZ 4.14Å; L63-F65 HydrophobicContact CB-CE2 3.95Å; F65-L112 HydrophobicContact CE2-CD1 4.13Å; F65-L112 HydrophobicContact CZ-CD1 3.94Å; F65-K199 CarbonylContact O-C 3.48Å; F65-K199 VanDerWaalsContact O-CA 3.3Å; F65-K199 WeakPolarHBondContact O-CA 3.35Å; F65-I200 HydrophobicContact CB-CB 4.23Å; F65-I200 PolarHBondContact N-O 2.93Å; F65-I200 PolarHBondContact O-N 3.29Å; F65-I202 HydrophobicContact CD2-CD1 4.36Å; F65-I202 HydrophobicContact CE2-CD1 4.03Å |
| 66 | T | 98.7 | Very high | 95.5 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.08 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130 | -178.5 | -53 | 0 | 0 | 0 | 0 | 109.2 | I50 W51 I192 T198 K199 | I50-T66 CarbonylContact C-O 3.58Å; I50-T66 VanDerWaalsContact CA-O 3.28Å; I50-T66 WeakPolarHBondContact CA-O 3.19Å; I50-T66 WeakPolarHBondContact CG1-O 3.2Å; W51-T66 VanDerWaalsContact CE3-O 3.32Å; W51-T66 PolarHBondContact N-O 3.15Å; W51-T66 PolarHBondContact O-N 3.15Å; T66-I192 HydrophobicContact CG2-CB 4.49Å; T66-I192 HydrophobicContact CG2-CG1 4.29Å; T66-I192 HydrophobicContact CG2-CG2 4.41Å; T66-T198 CarbonylContact C-O 3.48Å; T66-T198 VanDerWaalsContact CA-O 3.28Å; T66-T198 WeakPolarHBondContact CA-O 3.32Å; T66-K199 HydrophobicContact CG2-CB 4.21Å; T66-K199 WeakPolarHBondContact OG1-CG 3.47Å |
| 67 | D | 98.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 154.8 | 175.3 | 76.2 | 82.1 | 0 | 0 | 0 | 111.5 | A40 A47 Q49 I50 G69 G197 T198 | A40-D67 HydrophobicContact CB-CB 3.92Å; A47-D67 HydrophobicContact CB-CB 3.82Å; Q49-D67 WeakPolarHBondContact O-CA 3.27Å; I50-D67 HydrophobicContact CB-CB 4.35Å; I50-D67 HydrophobicContact CG1-CB 4.31Å; D67-G69 VanDerWaalsContact OD1-CA 3.31Å; D67-G69 WeakPolarHBondContact OD1-CA 3.43Å; D67-G69 PolarHBondContact OD1-N 3.35Å; D67-G197 VanDerWaalsContact O-CA 3.24Å; D67-G197 WeakPolarHBondContact O-CA 3.21Å; D67-T198 PolarHBondContact N-O 3.33Å; D67-T198 PolarHBondContact O-N 2.9Å; D67-T198 VanDerWaalsContact O-N 3.16Å; D67-T198 VanDerWaalsContact OD2-CB 3.29Å; D67-T198 WeakPolarHBondContact OD2-CB 3.37Å |
| 68 | N | 97.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 20% | 0.198 | 23% | 0.225 | C | C | . | . | trans | -100.8 | 28.5 | 175.9 | 65 | 1.1 | 0 | 0 | 0 | 113 | K48 Q49 W51 P193 S194 | K48-N68 PolarHBondContact N-OD1 3.5Å; Q49-N68 PolarHBondContact N-OD1 3.08Å; Q49-N68 PolarHBondContact O-N 3.25Å; Q49-N68 PolarHBondContact O-OD1 3.23Å; W51-N68 HydrophobicContact CH2-CB 4.32Å; W51-N68 HydrophobicContact CZ3-CB 4.06Å; N68-P193 HydrophobicContact CB-CG 4.36Å; N68-S194 WeakPolarHBondContact CB-OG 3.25Å | ||
| 69 | G | 96.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -76.3 | -161.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | V45 D67 G71 K196 G197 | V45-G69 WeakPolarHBondContact O-CA 3.42Å; D67-G69 VanDerWaalsContact OD1-CA 3.31Å; D67-G69 WeakPolarHBondContact OD1-CA 3.43Å; D67-G69 PolarHBondContact OD1-N 3.35Å; G69-G71 VanDerWaalsContact C-N 3.31Å; G69-G71 PolarHBondContact O-N 2.99Å; G69-K196 CarbonylContact O-C 3.49Å; G69-K196 WeakPolarHBondContact O-CB 3.42Å; G69-G197 WeakPolarHBondContact O-CA 3.42Å; G69-G197 PolarHBondContact O-N 2.67Å; G69-G197 VanDerWaalsContact O-N 3.11Å |
| 70 | S | 95.4 | Very high | 96.4 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | trans | -71 | -20.2 | -172.8 | 64.1 | 0 | 0 | 0 | 0 | 115.2 | G44 V45 | G44-S70 PolarHBondContact O-OG 3.27Å; V45-S70 WeakPolarHBondContact CA-OG 3.36Å; V45-S70 PolarHBondContact O-N 3.27Å | ||
| 71 | G | 95.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | trans | 67.5 | -168.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G69 T120 K121 | G69-G71 VanDerWaalsContact C-N 3.31Å; G69-G71 PolarHBondContact O-N 2.99Å; G71-T120 WeakPolarHBondContact CA-OG1 3.45Å; G71-K121 WeakPolarHBondContact CA-O 3.4Å | ||
| 72 | M | 96.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | trans | -135.1 | 153.4 | -173.6 | -64.3 | 175.8 | -78.2 | 0 | 0 | 112.4 | K76 L77 M80 I118 T120 T198 | M72-K76 HydrophobicContact CB-CB 4.09Å; M72-K76 HydrophobicContact CB-CD 4.28Å; M72-K76 HydrophobicContact CB-CG 4.19Å; M72-K76 HydrophobicContact CG-CB 4.41Å; M72-K76 HydrophobicContact CG-CD 3.94Å; M72-K76 HydrophobicContact CG-CG 3.95Å; M72-K76 HydrophobicContact SD-CG 4.38Å; M72-L77 HydrophobicContact CE-CD1 3.87Å; M72-L77 HydrophobicContact SD-CD1 4.44Å; M72-M80 HydrophobicContact CE-SD 3.45Å; M72-M80 WeakPolarHBondContact CE-SD 3.4Å; M72-M80 HydrophobicContact SD-CB 4.16Å; M72-M80 HydrophobicContact SD-CG 4.48Å; M72-M80 HydrophobicContact SD-SD 3.48Å; M72-I118 HydrophobicContact CE-CG2 4.15Å; M72-T120 HydrophobicContact CB-CG2 3.86Å; M72-T120 HydrophobicContact CE-CG2 4.12Å; M72-T120 PolarHBondContact N-OG1 3.25Å; M72-T198 HydrophobicContact CE-CG2 3.91Å | ||
| 73 | T | 95.4 | Very high | 95.9 | Very high | 61 Ų | 61 | 31.8 Ų | 31.8 | 37% | 0.374 | 17% | 0.171 | S | C | . | . | trans | -79.8 | 164.3 | 163.1 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | N75 K76 L77 N122 | T73-N75 VanDerWaalsContact C-N 3.29Å; T73-N75 PolarHBondContact O-N 3.27Å; T73-K76 PolarHBondContact O-N 2.83Å; T73-K76 VanDerWaalsContact O-N 3.07Å; T73-K76 WeakPolarHBondContact OG1-CB 3.44Å; T73-K76 PolarHBondContact OG1-N 2.98Å; T73-L77 PolarHBondContact O-N 2.68Å; T73-N122 WeakPolarHBondContact CG2-ND2 3.38Å | ||
| 74 | P | 95.7 | Very high | 95.2 | Very high | 42 Ų | 42 | 34.6 Ų | 34.6 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -54.4 | -43.4 | 175.5 | -25.5 | 33.1 | 0 | 0 | 0 | 113.1 | K76 L77 H78 T127 P150 | P74-K76 PolarHBondContact O-N 2.71Å; P74-L77 PolarHBondContact O-N 3.01Å; P74-H78 PolarHBondContact O-N 3.46Å; P74-T127 HydrophobicContact CB-CG2 4.19Å; P74-T127 HydrophobicContact CG-CG2 4.33Å; P74-T127 WeakPolarHBondContact CG-OG1 3.34Å; P74-P150 HydrophobicContact CB-CB 4.43Å; P74-P150 HydrophobicContact CG-CB 3.8Å |
| 75 | N | 94.6 | Very high | 94.5 | Very high | 96 Ų | 96 | 39.5 Ų | 39.5 | 51% | 0.513 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.8 | -173.2 | 31.9 | 0 | 0 | 0 | 112.6 | T73 L77 H78 K79 | T73-N75 VanDerWaalsContact C-N 3.29Å; T73-N75 PolarHBondContact O-N 3.27Å; N75-L77 VanDerWaalsContact C-N 3.35Å; N75-H78 PolarHBondContact O-N 2.87Å; N75-K79 WeakPolarHBondContact O-CG 3.42Å; N75-K79 PolarHBondContact O-N 3.3Å |
| 76 | K | 94.8 | Very high | 93.6 | Very high | 77 Ų | 77 | 41.9 Ų | 41.9 | 34% | 0.335 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.8 | -35.5 | 177.2 | -172.4 | 174.1 | 178.6 | -174.2 | 0 | 111.5 | M72 T73 P74 K79 M80 | M72-K76 HydrophobicContact CB-CB 4.09Å; M72-K76 HydrophobicContact CB-CD 4.28Å; M72-K76 HydrophobicContact CB-CG 4.19Å; M72-K76 HydrophobicContact CG-CB 4.41Å; M72-K76 HydrophobicContact CG-CD 3.94Å; M72-K76 HydrophobicContact CG-CG 3.95Å; M72-K76 HydrophobicContact SD-CG 4.38Å; T73-K76 PolarHBondContact O-N 2.83Å; T73-K76 VanDerWaalsContact O-N 3.07Å; T73-K76 WeakPolarHBondContact OG1-CB 3.44Å; T73-K76 PolarHBondContact OG1-N 2.98Å; P74-K76 PolarHBondContact O-N 2.71Å; K76-K79 PolarHBondContact O-N 3.25Å; K76-M80 WeakPolarHBondContact O-CB 3.38Å; K76-M80 PolarHBondContact O-N 3.38Å |
| 77 | L | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 172.1 | -179.6 | 60.7 | 0 | 0 | 0 | 111.2 | M72 T73 P74 N75 K79 M80 L81 I118 T120 T127 I148 | M72-L77 HydrophobicContact CE-CD1 3.87Å; M72-L77 HydrophobicContact SD-CD1 4.44Å; T73-L77 PolarHBondContact O-N 2.68Å; P74-L77 PolarHBondContact O-N 3.01Å; N75-L77 VanDerWaalsContact C-N 3.35Å; L77-K79 PolarHBondContact O-N 2.94Å; L77-M80 HydrophobicContact CD1-SD 4.32Å; L77-M80 WeakPolarHBondContact O-CB 3.3Å; L77-M80 PolarHBondContact O-N 3.31Å; L77-M80 VanDerWaalsContact O-N 3.11Å; L77-L81 HydrophobicContact CD1-CG 4.44Å; L77-L81 HydrophobicContact CG-CD1 4.43Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 2.89Å; L77-I118 HydrophobicContact CD1-CB 4Å; L77-I118 HydrophobicContact CD1-CG2 3.71Å; L77-T120 HydrophobicContact CD2-CG2 4.24Å; L77-T127 HydrophobicContact CD2-CG2 3.64Å; L77-I148 HydrophobicContact CD2-CG2 4.42Å |
| 78 | H | 95.9 | Very high | 91.2 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 40% | 0.398 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.5 | -50.7 | 173.6 | -179.6 | -126 | 0 | 0 | 0 | 111.2 | P74 N75 M80 L81 S82 I148 | P74-H78 PolarHBondContact O-N 3.46Å; N75-H78 PolarHBondContact O-N 2.87Å; H78-M80 VanDerWaalsContact C-N 3.29Å; H78-M80 PolarHBondContact O-N 3.26Å; H78-L81 CarbonylContact O-C 3.46Å; H78-L81 WeakPolarHBondContact O-CA 3.4Å; H78-L81 PolarHBondContact O-N 3.24Å; H78-S82 PolarHBondContact O-N 2.67Å; H78-S82 PolarHBondContact O-OG 2.81Å; H78-I148 HydrophobicContact CB-CD1 3.54Å |
| 79 | K | 94.8 | Very high | 89.3 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -38.9 | 173.9 | -73.3 | 175.7 | 175.8 | 177.3 | 0 | 113 | N75 K76 L77 L81 S82 F85 E87 | N75-K79 WeakPolarHBondContact O-CG 3.42Å; N75-K79 PolarHBondContact O-N 3.3Å; K76-K79 PolarHBondContact O-N 3.25Å; L77-K79 PolarHBondContact O-N 2.94Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 3.07Å; K79-S82 PolarHBondContact O-N 3.42Å; K79-F85 HydrophobicContact CB-CB 4Å; K79-F85 HydrophobicContact CB-CG 4.43Å; K79-F85 HydrophobicContact CG-CB 4.32Å; K79-F85 HydrophobicContact CG-CD1 4.3Å; K79-F85 HydrophobicContact CG-CG 4.32Å; K79-E87 IonicContact NZ-OE1 3.74Å; K79-E87 PolarHBondContact NZ-OE1 2.84Å |
| 80 | M | 95.1 | Very high | 87.2 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 175.3 | 173.4 | -178.6 | 168 | 0 | 0 | 111.9 | M72 K76 L77 H78 F105 K106 I118 I200 | M72-M80 HydrophobicContact CE-SD 3.45Å; M72-M80 WeakPolarHBondContact CE-SD 3.4Å; M72-M80 HydrophobicContact SD-CB 4.16Å; M72-M80 HydrophobicContact SD-CG 4.48Å; M72-M80 HydrophobicContact SD-SD 3.48Å; K76-M80 WeakPolarHBondContact O-CB 3.38Å; K76-M80 PolarHBondContact O-N 3.38Å; L77-M80 HydrophobicContact CD1-SD 4.32Å; L77-M80 WeakPolarHBondContact O-CB 3.3Å; L77-M80 PolarHBondContact O-N 3.31Å; L77-M80 VanDerWaalsContact O-N 3.11Å; H78-M80 VanDerWaalsContact C-N 3.29Å; H78-M80 PolarHBondContact O-N 3.26Å; M80-F105 HydrophobicContact CE-CB 3.88Å; M80-F105 HydrophobicContact CE-CD1 3.73Å; M80-F105 HydrophobicContact CE-CD2 3.18Å; M80-F105 HydrophobicContact CE-CE1 4.11Å; M80-F105 HydrophobicContact CE-CE2 3.6Å; M80-F105 HydrophobicContact CE-CG 3.27Å; M80-F105 HydrophobicContact CE-CZ 4.06Å; M80-F105 HydrophobicContact CG-CD1 4.32Å; M80-F105 HydrophobicContact CG-CG 4.4Å; M80-K106 WeakPolarHBondContact O-CD 3.2Å; M80-K106 WeakPolarHBondContact O-CE 3.34Å; M80-K106 PolarHBondContact O-NZ 3.48Å; M80-I118 HydrophobicContact CE-CG1 4.49Å; M80-I200 HydrophobicContact CE-CD1 4.4Å |
| 81 | L | 95.6 | Very high | 85.2 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -80.5 | -25.1 | 176.9 | -63.2 | -179.1 | 0 | 0 | 0 | 112.9 | L77 H78 K79 F105 I118 L131 V146 I148 | L77-L81 HydrophobicContact CD1-CG 4.44Å; L77-L81 HydrophobicContact CG-CD1 4.43Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 2.89Å; H78-L81 CarbonylContact O-C 3.46Å; H78-L81 WeakPolarHBondContact O-CA 3.4Å; H78-L81 PolarHBondContact O-N 3.24Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 3.07Å; L81-F105 HydrophobicContact CD2-CD1 4.21Å; L81-F105 HydrophobicContact CD2-CE1 3.57Å; L81-F105 HydrophobicContact CD2-CZ 4.42Å; L81-I118 HydrophobicContact CD2-CD1 3.83Å; L81-L131 HydrophobicContact CD2-CB 4.1Å; L81-V146 HydrophobicContact CB-CB 4.33Å; L81-V146 HydrophobicContact CB-CG1 4.09Å; L81-V146 HydrophobicContact CB-CG2 4.35Å; L81-V146 HydrophobicContact CD1-CB 4Å; L81-V146 HydrophobicContact CD1-CG1 4.34Å; L81-I148 HydrophobicContact CD1-CD1 4.25Å; L81-I148 HydrophobicContact CD1-CG1 4.24Å |
| 82 | S | 92.3 | Very high | 82.8 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -81.5 | 147.1 | 174.5 | -52.6 | 0 | 0 | 0 | 0 | 112.8 | H78 K79 F85 K106 | H78-S82 PolarHBondContact O-N 2.67Å; H78-S82 PolarHBondContact O-OG 2.81Å; K79-S82 PolarHBondContact O-N 3.42Å; S82-F85 VanDerWaalsContact CB-CD2 3.4Å; S82-K106 WeakPolarHBondContact O-CE 3.44Å; S82-K106 PolarHBondContact O-NZ 3.07Å |
| 83 | F | 88.5 | Confident | 80.8 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 143.7 | -173.7 | -72.3 | -110.2 | 0 | 0 | 0 | 112.7 | M14 F18 L19 F85 N103 K106 | M14-F83 HydrophobicContact CE-CB 3.98Å; M14-F83 HydrophobicContact CE-CD1 4.46Å; M14-F83 HydrophobicContact CE-CD2 2.99Å; M14-F83 HydrophobicContact CE-CE2 3.42Å; M14-F83 VanDerWaalsContact CE-CE2 3.42Å; M14-F83 HydrophobicContact CE-CG 3.56Å; M14-F83 HydrophobicContact CE-CZ 4.33Å; M14-F83 HydrophobicContact SD-CB 4.38Å; M14-F83 HydrophobicContact SD-CD1 4.07Å; M14-F83 HydrophobicContact SD-CD2 3.56Å; M14-F83 VanDerWaalsContact SD-CD2 3.56Å; M14-F83 HydrophobicContact SD-CE1 4.19Å; M14-F83 HydrophobicContact SD-CE2 3.66Å; M14-F83 HydrophobicContact SD-CG 3.73Å; M14-F83 HydrophobicContact SD-CZ 3.98Å; F18-F83 HydrophobicContact CD1-CD1 4.46Å; F18-F83 AromaticContact CD1-CE1 3.92Å; F18-F83 HydrophobicContact CD1-CE1 3.92Å; F18-F83 HydrophobicContact CD1-CZ 4.09Å; F18-F83 AromaticContact CE1-CD1 3.76Å; F18-F83 HydrophobicContact CE1-CD1 3.76Å; F18-F83 AromaticContact CE1-CE1 3.48Å; F18-F83 HydrophobicContact CE1-CE1 3.48Å; F18-F83 VanDerWaalsContact CE1-CE1 3.48Å; F18-F83 HydrophobicContact CE1-CZ 4.13Å; L19-F83 HydrophobicContact CD2-CE2 3.92Å; L19-F83 HydrophobicContact CD2-CZ 3.62Å; F83-F85 WeakPolarHBondContact O-CD2 3.35Å; F83-F85 PolarHBondContact O-N 2.94Å; F83-N103 WeakPolarHBondContact CD1-OD1 3.25Å; F83-N103 WeakPolarHBondContact CE1-OD1 3.45Å; F83-K106 HydrophobicContact CD2-CG 4.44Å; F83-K106 HydrophobicContact CE1-CB 3.85Å; F83-K106 HydrophobicContact CE1-CG 4.01Å; F83-K106 HydrophobicContact CE2-CB 4.44Å; F83-K106 HydrophobicContact CE2-CG 3.9Å; F83-K106 HydrophobicContact CZ-CB 3.7Å; F83-K106 HydrophobicContact CZ-CG 3.66Å |
| 84 | G | 84.8 | Confident | 78.6 | Confident | 58 Ų | 58 | 73 Ų | 73 | 60% | 0.598 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -7.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T86 G102 | G84-T86 PolarHBondContact O-N 3.46Å; G84-G102 PolarHBondContact N-O 2.83Å |
| 85 | F | 84.3 | Confident | 76.9 | Confident | 115 Ų | 115 | 75.2 Ų | 75.2 | 50% | 0.504 | 43% | 0.434 | S | S | . | . | trans | -80.2 | 120.1 | 175.9 | -67.7 | -85.6 | 0 | 0 | 0 | 111.1 | K79 S82 F83 G102 | K79-F85 HydrophobicContact CB-CB 4Å; K79-F85 HydrophobicContact CB-CG 4.43Å; K79-F85 HydrophobicContact CG-CB 4.32Å; K79-F85 HydrophobicContact CG-CD1 4.3Å; K79-F85 HydrophobicContact CG-CG 4.32Å; S82-F85 VanDerWaalsContact CB-CD2 3.4Å; F83-F85 WeakPolarHBondContact O-CD2 3.35Å; F83-F85 PolarHBondContact O-N 2.94Å; F85-G102 WeakPolarHBondContact O-CA 3.42Å | ||
| 86 | T | 79.4 | Confident | 76 | Confident | 53 Ų | 53 | 75.9 Ų | 75.9 | 33% | 0.325 | 43% | 0.434 | S | S | . | . | trans | -150.6 | 133.8 | 166.7 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | G84 K88 L100 | G84-T86 PolarHBondContact O-N 3.46Å; T86-K88 VanDerWaalsContact C-N 3.35Å; T86-K88 VanDerWaalsContact OG1-CB 3.31Å; T86-K88 WeakPolarHBondContact OG1-CB 3.47Å; T86-K88 PolarHBondContact OG1-N 3.08Å; T86-L100 WeakPolarHBondContact CG2-O 3.49Å | ||
| 87 | E | 71.6 | Confident | 75.3 | Confident | 121 Ų | 121 | 72.7 Ų | 72.7 | 57% | 0.565 | 42% | 0.422 | S | S | * | . | trans | -98.7 | 3.5 | 171.4 | -66.1 | 169.3 | -174.6 | 0 | 0 | 110.6 | K79 T90 | K79-E87 IonicContact NZ-OE1 3.74Å; K79-E87 PolarHBondContact NZ-OE1 2.84Å; E87-T90 PolarHBondContact O-OG1 3.31Å | ||
| 88 | K | 74.2 | Confident | 74.6 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 26% | 0.261 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 127.3 | -179.2 | -60.2 | 175.3 | 177.3 | -178.7 | 0 | 109.3 | N39 D42 T86 A97 G99 | N39-K88 PolarHBondContact OD1-NZ 2.73Å; D42-K88 WeakPolarHBondContact OD2-CD 3.48Å; D42-K88 VanDerWaalsContact OD2-CE 3.27Å; D42-K88 WeakPolarHBondContact OD2-CE 3.45Å; D42-K88 IonicContact OD2-NZ 2.75Å; D42-K88 PolarHBondContact OD2-NZ 2.79Å; T86-K88 VanDerWaalsContact C-N 3.35Å; T86-K88 VanDerWaalsContact OG1-CB 3.31Å; T86-K88 WeakPolarHBondContact OG1-CB 3.47Å; T86-K88 PolarHBondContact OG1-N 3.08Å; K88-A97 HydrophobicContact CB-CB 3.69Å; K88-A97 HydrophobicContact CD-CB 4.28Å; K88-A97 HydrophobicContact CG-CB 4.26Å; K88-G99 VanDerWaalsContact CB-O 3.31Å; K88-G99 WeakPolarHBondContact CB-O 3.44Å; K88-G99 VanDerWaalsContact CD-O 3.29Å; K88-G99 WeakPolarHBondContact CD-O 3.31Å |
| 89 | G | 57.8 | Low | 73.6 | Confident | 61 Ų | 61 | 69.9 Ų | 69.9 | 63% | 0.629 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.7 | -0.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 90 | T | 53.1 | Low | 72.6 | Confident | 134 Ų | 134 | 69.8 Ų | 69.8 | 82% | 0.822 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -89.6 | -3.7 | 178.8 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | E87 | E87-T90 PolarHBondContact O-OG1 3.31Š|
| 91 | G | 51.5 | Low | 71.7 | Confident | 59 Ų | 59 | 72.6 Ų | 72.6 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -114.9 | 151 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A93 | G91-A93 PolarHBondContact O-N 2.9Š|
| 92 | K | 46.5 | Very low | 71 | Confident | 224 Ų | 224 | 73.1 Ų | 73.1 | 97% | 0.974 | 43% | 0.43 | S | S | * | . | trans | -76.3 | 48.6 | 170 | -64 | -177.9 | 179.8 | 177.8 | 0 | 112 | ||||
| 93 | A | 53.2 | Low | 70.9 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 48% | 0.479 | 43% | 0.426 | S | S | . | . | trans | -71.1 | 145.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G91 Q95 | G91-A93 PolarHBondContact O-N 2.9Å; A93-Q95 WeakPolarHBondContact CB-O 3.18Å; A93-Q95 PolarHBondContact O-N 2.9Å | ||
| 94 | S | 50.5 | Low | 71.1 | Confident | 132 Ų | 132 | 71.5 Ų | 71.5 | 92% | 0.923 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -63.9 | -22.8 | 176.8 | 55 | 0 | 0 | 0 | 0 | 113 | ||
| 95 | Q | 60.1 | Low | 71.6 | Confident | 87 Ų | 87 | 69 Ų | 69 | 41% | 0.407 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -113.7 | 128 | 170.8 | -73.1 | 179 | -21.1 | 0 | 0 | 109.7 | P43 A93 | P43-Q95 HydrophobicContact CG-CB 3.87Å; P43-Q95 WeakPolarHBondContact CG-O 3.48Å; A93-Q95 WeakPolarHBondContact CB-O 3.18Å; A93-Q95 PolarHBondContact O-N 2.9Å |
| 96 | Q | 74.4 | Confident | 72.2 | Confident | 111 Ų | 111 | 63.8 Ų | 63.8 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | trans | -80.5 | 138.7 | 174.9 | -64.3 | -177.7 | 1.1 | 0 | 0 | 109.9 | R326 | Q96-R326 HydrophobicContact CB-CG 4.2Š| ||
| 97 | A | 81.1 | Confident | 72.9 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | trans | -65.9 | 145.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D42 K88 R326 | D42-A97 WeakPolarHBondContact OD1-CA 3.32Å; K88-A97 HydrophobicContact CB-CB 3.69Å; K88-A97 HydrophobicContact CD-CB 4.28Å; K88-A97 HydrophobicContact CG-CB 4.26Å; A97-R326 WeakPolarHBondContact O-CD 3.25Å; A97-R326 PolarHBondContact O-NH1 2.95Å | ||
| 98 | I | 82.2 | Confident | 74.2 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -80.3 | -42.5 | 176.6 | -60 | 162.1 | 0 | 0 | 0 | 109.7 | D38 D42 L100 Y265 R328 K366 | D38-I98 HydrophobicContact CB-CB 4.38Å; D38-I98 HydrophobicContact CB-CD1 4.28Å; D38-I98 HydrophobicContact CB-CG2 4.06Å; D42-I98 PolarHBondContact OD1-N 2.84Å; I98-L100 PolarHBondContact O-N 2.84Å; I98-Y265 HydrophobicContact CD1-CD1 4.46Å; I98-Y265 HydrophobicContact CD1-CE1 3.64Å; I98-R328 HydrophobicContact CD1-CB 4.1Å; I98-R328 HydrophobicContact CG1-CB 4.19Å; I98-R328 HydrophobicContact CG2-CB 4.15Å; I98-R328 HydrophobicContact CG2-CG 4.06Å; I98-K366 HydrophobicContact CG2-CD 4.35Å |
| 99 | G | 75.4 | Confident | 75.3 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | trans | -79.7 | 109.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D42 K88 | D42-G99 PolarHBondContact OD2-N 3.04Å; K88-G99 VanDerWaalsContact CB-O 3.31Å; K88-G99 WeakPolarHBondContact CB-O 3.44Å; K88-G99 VanDerWaalsContact CD-O 3.29Å; K88-G99 WeakPolarHBondContact CD-O 3.31Å | ||
| 100 | L | 73.9 | Confident | 77.2 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | trans | -116.6 | -12.5 | 179.5 | -57.7 | 174.3 | 0 | 0 | 0 | 115 | T86 I98 R326 | T86-L100 WeakPolarHBondContact CG2-O 3.49Å; I98-L100 PolarHBondContact O-N 2.84Å; L100-R326 VanDerWaalsContact CD2-NH1 3.29Å | ||
| 101 | Y | 74.3 | Confident | 79.3 | Confident | 96 Ų | 96 | 44.5 Ų | 44.5 | 38% | 0.376 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -102.9 | -9 | -170.8 | -53.7 | -70.6 | 0 | 0 | 0 | 113.4 | N103 P362 | Y101-N103 PolarHBondContact O-N 2.88Å; Y101-P362 PolarHBondContact OH-O 3.25Å |
| 102 | G | 82.1 | Confident | 81.5 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 59.9 | 31 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G84 F85 K106 | G84-G102 PolarHBondContact N-O 2.83Å; F85-G102 WeakPolarHBondContact O-CA 3.42Å; G102-K106 PolarHBondContact O-NZ 2.91Å |
| 103 | N | 89.6 | Confident | 83.9 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 8% | 0.08 | 18% | 0.18 | C | C | . | . | trans | -127.5 | -23.3 | -175 | -161.1 | 27.4 | 0 | 0 | 0 | 115.3 | N22 F83 Y101 F105 K106 S107 H364 | N22-N103 PolarHBondContact ND2-ND2 3.19Å; N22-N103 PolarHBondContact ND2-OD1 3.24Å; N22-N103 PolarHBondContact OD1-ND2 3.45Å; F83-N103 WeakPolarHBondContact CD1-OD1 3.25Å; F83-N103 WeakPolarHBondContact CE1-OD1 3.45Å; Y101-N103 PolarHBondContact O-N 2.88Å; N103-F105 VanDerWaalsContact C-N 3.32Å; N103-F105 PolarHBondContact O-N 2.92Å; N103-F105 VanDerWaalsContact O-N 3.13Å; N103-K106 PolarHBondContact O-N 2.88Å; N103-S107 PolarHBondContact O-N 2.93Å; N103-S107 PolarHBondContact O-OG 2.87Å; N103-H364 PolarHBondContact ND2-CE1 2.77Å; N103-H364 PolarHBondContact ND2-NE2 3.09Å | ||
| 104 | G | 92.7 | Very high | 86.1 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -52.1 | -41.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E35 K106 S107 G108 | E35-G104 WeakPolarHBondContact CB-O 3.42Å; E35-G104 WeakPolarHBondContact OE2-CA 3.25Å; G104-K106 PolarHBondContact O-N 3.42Å; G104-S107 PolarHBondContact O-OG 3.47Å; G104-G108 WeakPolarHBondContact O-CA 3.38Å; G104-G108 PolarHBondContact O-N 2.92Å |
| 105 | F | 96 | Very high | 88.3 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 175.7 | 171.3 | -102.2 | 0 | 0 | 0 | 112.4 | L36 M80 L81 N103 S109 A116 I118 L131 I200 | L36-F105 HydrophobicContact CD2-CD2 3.67Å; L36-F105 HydrophobicContact CD2-CE2 4.28Å; M80-F105 HydrophobicContact CE-CB 3.88Å; M80-F105 HydrophobicContact CE-CD1 3.73Å; M80-F105 HydrophobicContact CE-CD2 3.18Å; M80-F105 HydrophobicContact CE-CE1 4.11Å; M80-F105 HydrophobicContact CE-CE2 3.6Å; M80-F105 HydrophobicContact CE-CG 3.27Å; M80-F105 HydrophobicContact CE-CZ 4.06Å; M80-F105 HydrophobicContact CG-CD1 4.32Å; M80-F105 HydrophobicContact CG-CG 4.4Å; L81-F105 HydrophobicContact CD2-CD1 4.21Å; L81-F105 HydrophobicContact CD2-CE1 3.57Å; L81-F105 HydrophobicContact CD2-CZ 4.42Å; N103-F105 VanDerWaalsContact C-N 3.32Å; N103-F105 PolarHBondContact O-N 2.92Å; N103-F105 VanDerWaalsContact O-N 3.13Å; F105-S109 WeakPolarHBondContact O-CB 3.24Å; F105-S109 PolarHBondContact O-N 3.09Å; F105-S109 PolarHBondContact O-OG 3.14Å; F105-A116 HydrophobicContact CZ-CB 4.34Å; F105-I118 HydrophobicContact CE1-CD1 4.08Å; F105-I118 HydrophobicContact CE1-CG1 4.31Å; F105-I118 HydrophobicContact CE2-CG1 4.07Å; F105-I118 HydrophobicContact CZ-CD1 3.58Å; F105-I118 HydrophobicContact CZ-CG1 3.58Å; F105-L131 HydrophobicContact CE1-CD2 3.91Å; F105-I200 HydrophobicContact CD2-CD1 4.06Å; F105-I200 HydrophobicContact CE2-CD1 3.84Å; F105-I200 HydrophobicContact CE2-CG1 4.24Å; F105-I200 HydrophobicContact CE2-CG2 3.92Å |
| 106 | K | 96.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 2% | 0.022 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.1 | -47.6 | -175.3 | -60 | 79.4 | 136.7 | 170.8 | 0 | 110.5 | M80 S82 F83 G102 N103 G104 S109 M110 L131 | M80-K106 WeakPolarHBondContact O-CD 3.2Å; M80-K106 WeakPolarHBondContact O-CE 3.34Å; M80-K106 PolarHBondContact O-NZ 3.48Å; S82-K106 WeakPolarHBondContact O-CE 3.44Å; S82-K106 PolarHBondContact O-NZ 3.07Å; F83-K106 HydrophobicContact CD2-CG 4.44Å; F83-K106 HydrophobicContact CE1-CB 3.85Å; F83-K106 HydrophobicContact CE1-CG 4.01Å; F83-K106 HydrophobicContact CE2-CB 4.44Å; F83-K106 HydrophobicContact CE2-CG 3.9Å; F83-K106 HydrophobicContact CZ-CB 3.7Å; F83-K106 HydrophobicContact CZ-CG 3.66Å; G102-K106 PolarHBondContact O-NZ 2.91Å; N103-K106 PolarHBondContact O-N 2.88Å; G104-K106 PolarHBondContact O-N 3.42Å; K106-S109 PolarHBondContact O-OG 3.43Å; K106-M110 WeakPolarHBondContact O-CB 3.03Å; K106-M110 WeakPolarHBondContact O-CG 3.41Å; K106-M110 PolarHBondContact O-N 3.09Å; K106-M110 VanDerWaalsContact O-N 3.13Å; K106-L131 HydrophobicContact CB-CD2 4.48Å; K106-L131 HydrophobicContact CG-CD2 4.15Å |
| 107 | S | 95.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.007 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.2 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | N22 H26 N103 G104 R111 | N22-S107 PolarHBondContact ND2-N 2.85Å; H26-S107 PolarHBondContact NE2-OG 3.22Å; H26-S107 VanDerWaalsContact NE2-OG 3.08Å; N103-S107 PolarHBondContact O-N 2.93Å; N103-S107 PolarHBondContact O-OG 2.87Å; G104-S107 PolarHBondContact O-OG 3.47Å; S107-R111 VanDerWaalsContact O-CB 3.24Å; S107-R111 WeakPolarHBondContact O-CB 3.38Å; S107-R111 PolarHBondContact O-N 2.75Å; S107-R111 VanDerWaalsContact O-N 3.11Å |
| 108 | G | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.5 | -51.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G104 M110 R111 L112 | G104-G108 WeakPolarHBondContact O-CA 3.38Å; G104-G108 PolarHBondContact O-N 2.92Å; G108-M110 PolarHBondContact O-N 3.3Å; G108-R111 WeakPolarHBondContact O-CB 3.22Å; G108-R111 PolarHBondContact O-N 2.89Å; G108-R111 VanDerWaalsContact O-N 3.15Å; G108-L112 WeakPolarHBondContact O-CG 3.33Å; G108-L112 PolarHBondContact O-N 3.46Å; G108-L112 VanDerWaalsContact O-N 3.13Å |
| 109 | S | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | -179.2 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | F105 K106 R111 L112 G113 | F105-S109 WeakPolarHBondContact O-CB 3.24Å; F105-S109 PolarHBondContact O-N 3.09Å; F105-S109 PolarHBondContact O-OG 3.14Å; K106-S109 PolarHBondContact O-OG 3.43Å; S109-R111 PolarHBondContact O-N 3.39Å; S109-L112 PolarHBondContact O-N 3.22Å; S109-L112 VanDerWaalsContact O-N 3.08Å; S109-G113 PolarHBondContact O-N 3.5Å; S109-G113 VanDerWaalsContact O-O 3.1Å |
| 110 | M | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -71 | -16 | 178.8 | -59.6 | -65.5 | 95.1 | 0 | 0 | 113.2 | L19 S23 K106 G108 G113 A116 L131 Q133 R206 | L19-M110 HydrophobicContact CB-CG 4.14Å; L19-M110 HydrophobicContact CB-SD 4.2Å; L19-M110 HydrophobicContact CD1-SD 4.26Å; S23-M110 VanDerWaalsContact CB-C 3.48Å; S23-M110 WeakPolarHBondContact CB-O 3.36Å; K106-M110 WeakPolarHBondContact O-CB 3.03Å; K106-M110 WeakPolarHBondContact O-CG 3.41Å; K106-M110 PolarHBondContact O-N 3.09Å; K106-M110 VanDerWaalsContact O-N 3.13Å; G108-M110 PolarHBondContact O-N 3.3Å; M110-G113 CarbonylContact C-O 3.58Å; M110-G113 VanDerWaalsContact CA-O 3.28Å; M110-G113 WeakPolarHBondContact CA-O 3.29Å; M110-A116 HydrophobicContact CE-CB 4.2Å; M110-L131 HydrophobicContact CE-CD2 4.17Å; M110-L131 HydrophobicContact CE-CG 4.19Å; M110-L131 HydrophobicContact CG-CD2 4.43Å; M110-L131 HydrophobicContact SD-CD2 4.4Å; M110-L131 HydrophobicContact SD-CG 4.35Å; M110-Q133 HydrophobicContact SD-CG 3.92Å; M110-Q133 PolarHBondContact SD-NE2 2.7Å; M110-R206 PolarHBondContact O-NH2 3.13Å |
| 111 | R | 97.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 14 Ų | 14 | 9% | 0.087 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -77.8 | -36.3 | 169.2 | 174.8 | 62.2 | -177.8 | 82.6 | -8.9 | 111.4 | H26 A32 S107 G108 S109 R206 E214 | H26-R111 HydrophobicContact CB-CB 4.14Å; H26-R111 HydrophobicContact CB-CG 3.66Å; H26-R111 WeakPolarHBondContact O-CD 3.19Å; H26-R111 PolarHBondContact O-NE 2.97Å; A32-R111 HydrophobicContact CB-CB 3.81Å; A32-R111 HydrophobicContact CB-CG 3.77Å; S107-R111 VanDerWaalsContact O-CB 3.24Å; S107-R111 WeakPolarHBondContact O-CB 3.38Å; S107-R111 PolarHBondContact O-N 2.75Å; S107-R111 VanDerWaalsContact O-N 3.11Å; G108-R111 WeakPolarHBondContact O-CB 3.22Å; G108-R111 PolarHBondContact O-N 2.89Å; G108-R111 VanDerWaalsContact O-N 3.15Å; S109-R111 PolarHBondContact O-N 3.39Å; R111-R206 WeakPolarHBondContact O-CD 3.49Å; R111-R206 WeakPolarHBondContact O-CG 3.49Å; R111-R206 PolarHBondContact O-NE 3.3Å; R111-E214 IonicContact CZ-OE2 2.95Å; R111-E214 IonicContact NH1-OE2 3.47Å; R111-E214 PolarHBondContact NH1-OE2 3.1Å; R111-E214 IonicContact NH2-OE2 2.68Å; R111-E214 PolarHBondContact NH2-OE2 2.92Å |
| 112 | L | 97.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 2% | 0.016 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -80.9 | -39.7 | -176.8 | -66.2 | 173.8 | 0 | 0 | 0 | 112.3 | P29 A32 V33 L36 L63 F65 G108 S109 I202 I205 R206 I215 | P29-L112 HydrophobicContact CB-CD2 4.41Å; A32-L112 HydrophobicContact CB-CD1 4.48Å; A32-L112 HydrophobicContact CB-CD2 4.15Å; A32-L112 HydrophobicContact CB-CG 4Å; V33-L112 HydrophobicContact CG2-CD1 4.17Å; V33-L112 HydrophobicContact CG2-CD2 3.99Å; L36-L112 HydrophobicContact CD1-CD1 4.05Å; L63-L112 HydrophobicContact CD1-CB 4.06Å; L63-L112 HydrophobicContact CD1-CD1 4.32Å; L63-L112 HydrophobicContact CD1-CD2 4.34Å; L63-L112 HydrophobicContact CD1-CG 4.47Å; F65-L112 HydrophobicContact CE2-CD1 4.13Å; F65-L112 HydrophobicContact CZ-CD1 3.94Å; G108-L112 WeakPolarHBondContact O-CG 3.33Å; G108-L112 PolarHBondContact O-N 3.46Å; G108-L112 VanDerWaalsContact O-N 3.13Å; S109-L112 PolarHBondContact O-N 3.22Å; S109-L112 VanDerWaalsContact O-N 3.08Å; L112-I202 HydrophobicContact CB-CD1 4.22Å; L112-I202 HydrophobicContact CB-CG2 4.25Å; L112-I202 HydrophobicContact CD1-CD1 3.97Å; L112-I205 WeakPolarHBondContact O-CA 3.15Å; L112-R206 PolarHBondContact O-N 3.17Å; L112-R206 VanDerWaalsContact O-N 3.07Å; L112-I215 HydrophobicContact CD2-CD1 4.16Å |
| 113 | G | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 172.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S109 M110 D115 N204 | S109-G113 PolarHBondContact O-N 3.5Å; S109-G113 VanDerWaalsContact O-O 3.1Å; M110-G113 CarbonylContact C-O 3.58Å; M110-G113 VanDerWaalsContact CA-O 3.28Å; M110-G113 WeakPolarHBondContact CA-O 3.29Å; G113-D115 VanDerWaalsContact C-N 3.31Å; G113-N204 WeakPolarHBondContact CA-O 3.41Å |
| 114 | R | 97.7 | Very high | 96.6 | Very high | 98 Ų | 98 | 12.8 Ų | 12.8 | 37% | 0.37 | 8% | 0.075 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -21.7 | -177.7 | -64.2 | -175.4 | 60 | 166.2 | -5.5 | 113 | Q133 Q137 W203 N204 | R114-Q133 HydrophobicContact CB-CB 4.49Å; R114-Q133 WeakPolarHBondContact O-CB 3.05Å; R114-Q133 WeakPolarHBondContact O-CG 3.48Å; R114-Q133 PolarHBondContact O-N 2.98Å; R114-Q137 VanDerWaalsContact NH2-NE2 3.16Å; R114-W203 PolarHBondContact N-O 2.83Å; R114-N204 HydrophobicContact CB-CB 3.85Å; R114-N204 HydrophobicContact CG-CB 4.26Å; R114-N204 PolarHBondContact N-O 3.25Å |
| 115 | D | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 141.1 | -168.2 | -53.5 | -58.9 | 0 | 0 | 0 | 111.5 | G113 S132 Q133 T134 I202 W203 N204 | G113-D115 VanDerWaalsContact C-N 3.31Å; D115-S132 VanDerWaalsContact CG-OG 3.3Å; D115-S132 WeakPolarHBondContact OD1-CA 3.28Å; D115-S132 WeakPolarHBondContact OD1-CB 3.49Å; D115-S132 PolarHBondContact OD1-OG 3.07Å; D115-Q133 PolarHBondContact OD1-N 3.24Å; D115-T134 VanDerWaalsContact OD1-CB 3.32Å; D115-T134 WeakPolarHBondContact OD1-CB 3.28Å; D115-T134 PolarHBondContact OD1-N 2.75Å; D115-T134 PolarHBondContact OD1-OG1 3.02Å; D115-T134 WeakPolarHBondContact OD2-CB 3.3Å; D115-T134 PolarHBondContact OD2-OG1 3.39Å; D115-I202 WeakPolarHBondContact O-CA 3.47Å; D115-W203 HydrophobicContact CB-CD2 3.67Å; D115-W203 HydrophobicContact CB-CE3 4.14Å; D115-W203 HydrophobicContact CB-CG 4.28Å; D115-W203 HydrophobicContact CB-CH2 3.81Å; D115-W203 HydrophobicContact CB-CZ2 3.31Å; D115-W203 HydrophobicContact CB-CZ3 4.19Å; D115-W203 PolarHBondContact N-O 3.11Å; D115-W203 PolarHBondContact O-N 2.98Å; D115-W203 PolarHBondContact OD2-NE1 3.26Å; D115-N204 PolarHBondContact OD2-ND2 3.02Å |
| 116 | A | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F105 M110 L131 L201 I202 | F105-A116 HydrophobicContact CZ-CB 4.34Å; M110-A116 HydrophobicContact CE-CB 4.2Å; A116-L131 PolarHBondContact N-O 3.32Å; A116-L131 PolarHBondContact O-N 2.96Å; A116-L201 CarbonylContact C-O 3.59Å; A116-L201 VanDerWaalsContact CA-O 3.25Å; A116-L201 WeakPolarHBondContact CA-O 3.48Å; A116-I202 HydrophobicContact CB-CG1 4.1Å |
| 117 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.2 | 169.4 | -82.9 | 162.6 | 0 | 0 | 0 | 108.9 | F119 V128 G129 L130 I173 I178 I179 I200 L201 W203 | L117-F119 HydrophobicContact CB-CE2 3.73Å; L117-F119 HydrophobicContact CB-CZ 3.9Å; L117-F119 HydrophobicContact CD1-CZ 4.15Å; L117-F119 HydrophobicContact CG-CZ 4.45Å; L117-V128 HydrophobicContact CD2-CG2 3.81Å; L117-G129 WeakPolarHBondContact CA-O 3.42Å; L117-L130 HydrophobicContact CD2-CB 4.06Å; L117-L130 HydrophobicContact CD2-CD1 3.77Å; L117-L130 HydrophobicContact CG-CD1 3.95Å; L117-I173 HydrophobicContact CD2-CG2 4.26Å; L117-I178 HydrophobicContact CD1-CG1 4.42Å; L117-I179 HydrophobicContact CD1-CD1 3.84Å; L117-I179 HydrophobicContact CD1-CG1 4.1Å; L117-I200 CarbonylContact O-C 3.5Å; L117-I200 WeakPolarHBondContact O-CA 3.4Å; L117-L201 HydrophobicContact CB-CB 4.35Å; L117-L201 PolarHBondContact N-O 2.93Å; L117-L201 PolarHBondContact O-N 3.06Å; L117-W203 HydrophobicContact CB-CH2 4.49Å; L117-W203 HydrophobicContact CB-CZ3 3.91Å; L117-W203 HydrophobicContact CD1-CH2 3.8Å; L117-W203 HydrophobicContact CD1-CZ3 3.68Å; L117-W203 HydrophobicContact CG-CH2 3.66Å; L117-W203 HydrophobicContact CG-CZ3 3.55Å |
| 118 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.3 | -178.8 | -53.1 | 79.7 | 0 | 0 | 0 | 107.5 | M72 L77 M80 L81 F105 V128 G129 T198 I200 | M72-I118 HydrophobicContact CE-CG2 4.15Å; L77-I118 HydrophobicContact CD1-CB 4Å; L77-I118 HydrophobicContact CD1-CG2 3.71Å; M80-I118 HydrophobicContact CE-CG1 4.49Å; L81-I118 HydrophobicContact CD2-CD1 3.83Å; F105-I118 HydrophobicContact CE1-CD1 4.08Å; F105-I118 HydrophobicContact CE1-CG1 4.31Å; F105-I118 HydrophobicContact CE2-CG1 4.07Å; F105-I118 HydrophobicContact CZ-CD1 3.58Å; F105-I118 HydrophobicContact CZ-CG1 3.58Å; I118-V128 CarbonylContact O-C 3.47Å; I118-V128 VanDerWaalsContact O-CA 3.22Å; I118-V128 WeakPolarHBondContact O-CA 3.17Å; I118-G129 WeakPolarHBondContact CD1-O 3.46Å; I118-G129 PolarHBondContact N-O 2.9Å; I118-G129 PolarHBondContact O-N 3.06Å; I118-T198 HydrophobicContact CG2-CG2 3.66Å; I118-I200 HydrophobicContact CG1-CG1 4.41Å; I118-I200 HydrophobicContact CG2-CG1 4.32Å |
| 119 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.2 | 172.6 | -52.3 | -90.2 | 0 | 0 | 0 | 107.6 | L117 V128 I179 I185 H188 F189 I192 T198 K199 L201 | L117-F119 HydrophobicContact CB-CE2 3.73Å; L117-F119 HydrophobicContact CB-CZ 3.9Å; L117-F119 HydrophobicContact CD1-CZ 4.15Å; L117-F119 HydrophobicContact CG-CZ 4.45Å; F119-V128 HydrophobicContact CD1-CB 4.08Å; F119-V128 HydrophobicContact CD1-CG2 3.78Å; F119-V128 HydrophobicContact CE1-CB 4.2Å; F119-V128 HydrophobicContact CE1-CG2 3.52Å; F119-V128 HydrophobicContact CZ-CG2 4.08Å; F119-I179 HydrophobicContact CE1-CD1 3.95Å; F119-I179 HydrophobicContact CE2-CD1 4.39Å; F119-I179 HydrophobicContact CZ-CD1 3.37Å; F119-I185 HydrophobicContact CD1-CG2 4.46Å; F119-I185 HydrophobicContact CE1-CG2 4.21Å; F119-H188 HydrophobicContact CD1-CB 3.66Å; F119-H188 HydrophobicContact CD2-CB 3.91Å; F119-H188 HydrophobicContact CE1-CB 3.57Å; F119-H188 HydrophobicContact CE2-CB 3.85Å; F119-H188 AromaticContact CE2-CG 3.89Å; F119-H188 AromaticContact CE2-ND1 3.86Å; F119-H188 HydrophobicContact CG-CB 3.85Å; F119-H188 HydrophobicContact CZ-CB 3.7Å; F119-H188 AromaticContact CZ-CG 3.8Å; F119-F189 HydrophobicContact CB-CD1 3.86Å; F119-F189 HydrophobicContact CB-CE1 3.78Å; F119-F189 HydrophobicContact CD1-CD1 4.42Å; F119-F189 HydrophobicContact CD1-CE1 4.22Å; F119-F189 HydrophobicContact CD1-CZ 4.28Å; F119-I192 HydrophobicContact CB-CD1 4.31Å; F119-T198 CarbonylContact O-C 3.57Å; F119-T198 VanDerWaalsContact O-CA 3.28Å; F119-T198 WeakPolarHBondContact O-CA 3.29Å; F119-T198 WeakPolarHBondContact O-CG2 3.23Å; F119-K199 HydrophobicContact CB-CB 4.31Å; F119-K199 HydrophobicContact CD2-CB 4.41Å; F119-K199 HydrophobicContact CD2-CG 4.33Å; F119-K199 PolarHBondContact N-O 3.1Å; F119-K199 PolarHBondContact O-N 3.25Å; F119-L201 HydrophobicContact CE2-CB 4.21Å; F119-L201 HydrophobicContact CE2-CD2 4.43Å |
| 120 | T | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143 | 178.8 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | G71 M72 L77 Q126 T127 G197 T198 | G71-T120 WeakPolarHBondContact CA-OG1 3.45Å; M72-T120 HydrophobicContact CB-CG2 3.86Å; M72-T120 HydrophobicContact CE-CG2 4.12Å; M72-T120 PolarHBondContact N-OG1 3.25Å; L77-T120 HydrophobicContact CD2-CG2 4.24Å; T120-Q126 CarbonylContact O-C 3.55Å; T120-Q126 WeakPolarHBondContact O-CA 3.28Å; T120-T127 PolarHBondContact N-O 2.94Å; T120-T127 PolarHBondContact O-N 3.02Å; T120-G197 WeakPolarHBondContact CA-O 3.46Å; T120-G197 PolarHBondContact OG1-O 3.23Å; T120-T198 PolarHBondContact OG1-OG1 3.3Å; T120-T198 VanDerWaalsContact OG1-OG1 3.06Å |
| 121 | K | 96.7 | Very high | 97 | Very high | 18 Ų | 18 | 12.9 Ų | 12.9 | 8% | 0.078 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.9 | 175 | 60.2 | 178.9 | -171.5 | -167.3 | 0 | 109.6 | G71 C125 Q126 I192 K195 K196 G197 | G71-K121 WeakPolarHBondContact CA-O 3.4Å; K121-C125 WeakPolarHBondContact CA-O 3.41Å; K121-Q126 HydrophobicContact CB-CB 4.02Å; K121-I192 HydrophobicContact CD-CB 4.24Å; K121-I192 HydrophobicContact CD-CD1 4.37Å; K121-I192 HydrophobicContact CD-CG2 4.28Å; K121-I192 HydrophobicContact CG-CD1 4.17Å; K121-I192 HydrophobicContact CG-CG2 4.39Å; K121-I192 PolarHBondContact NZ-O 3.41Å; K121-K195 VanDerWaalsContact CD-O 3.28Å; K121-K195 WeakPolarHBondContact CD-O 3.44Å; K121-K195 VanDerWaalsContact CE-C 3.42Å; K121-K195 VanDerWaalsContact CE-N 3.34Å; K121-K195 VanDerWaalsContact CG-O 3.29Å; K121-K195 WeakPolarHBondContact CG-O 3.22Å; K121-K196 CarbonylContact O-C 3.6Å; K121-K196 WeakPolarHBondContact O-CA 3.17Å; K121-G197 PolarHBondContact N-O 3.34Å; K121-G197 PolarHBondContact O-N 3.13Å |
| 122 | N | 94.8 | Very high | 97 | Very high | 40 Ų | 40 | 11.9 Ų | 11.9 | 21% | 0.214 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 5.8 | -177.3 | 74.4 | -0.3 | 0 | 0 | 0 | 113.7 | T73 G124 C125 K196 | T73-N122 WeakPolarHBondContact CG2-ND2 3.38Å; N122-G124 PolarHBondContact OD1-N 3.1Å; N122-C125 PolarHBondContact N-O 3.4Å; N122-C125 PolarHBondContact OD1-N 3.02Å; N122-C125 PolarHBondContact OD1-O 2.62Å; N122-C125 VanDerWaalsContact OD1-O 3.1Å; N122-K196 WeakPolarHBondContact O-CD 3.38Å; N122-K196 WeakPolarHBondContact O-CE 3.49Å |
| 123 | G | 91.6 | Very high | 97.1 | Very high | 34 Ų | 34 | 12.4 Ų | 12.4 | 35% | 0.351 | 7% | 0.074 | S | C | . | . | S | Bend | trans | 95.9 | -7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q153 K195 | G123-Q153 VanDerWaalsContact CA-OE1 3.27Å; G123-K195 PolarHBondContact N-O 3.1Å |
| 124 | G | 90.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 13.9 Ų | 13.9 | 27% | 0.268 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -130.4 | -35.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N122 Q153 | N122-G124 PolarHBondContact OD1-N 3.1Å; G124-Q153 WeakPolarHBondContact O-CB 3.44Å; G124-Q153 PolarHBondContact O-N 3.16Å; G124-Q153 VanDerWaalsContact O-N 3.12Å |
| 125 | C | 92.9 | Very high | 97.1 | Very high | 24 Ų | 24 | 10.3 Ų | 10.3 | 16% | 0.162 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.8 | 177.3 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | K121 N122 F151 Q153 | K121-C125 WeakPolarHBondContact CA-O 3.41Å; N122-C125 PolarHBondContact N-O 3.4Å; N122-C125 PolarHBondContact OD1-N 3.02Å; N122-C125 PolarHBondContact OD1-O 2.62Å; N122-C125 VanDerWaalsContact OD1-O 3.1Å; C125-F151 PolarHBondContact SG-O 3.06Å; C125-Q153 PolarHBondContact O-OE1 2.84Å |
| 126 | Q | 96.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.019 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.7 | 167.6 | 69 | -171.5 | -2.2 | 0 | 0 | 108.8 | T120 K121 F151 F189 | T120-Q126 CarbonylContact O-C 3.55Å; T120-Q126 WeakPolarHBondContact O-CA 3.28Å; K121-Q126 HydrophobicContact CB-CB 4.02Å; Q126-F151 HydrophobicContact CG-CB 3.7Å; Q126-F151 PolarHBondContact N-O 2.77Å; Q126-F151 PolarHBondContact O-N 2.84Å; Q126-F189 HydrophobicContact CB-CD1 3.87Å; Q126-F189 HydrophobicContact CB-CE1 3.68Å; Q126-F189 HydrophobicContact CB-CE2 4.38Å; Q126-F189 HydrophobicContact CB-CG 4.33Å; Q126-F189 HydrophobicContact CB-CZ 3.95Å; Q126-F189 HydrophobicContact CG-CD1 4.27Å; Q126-F189 HydrophobicContact CG-CD2 4.08Å; Q126-F189 HydrophobicContact CG-CE1 4.09Å; Q126-F189 HydrophobicContact CG-CE2 3.87Å; Q126-F189 HydrophobicContact CG-CG 4.28Å; Q126-F189 HydrophobicContact CG-CZ 3.89Å |
| 127 | T | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 136.3 | -172 | -46.4 | 0 | 0 | 0 | 0 | 109.5 | P74 L77 T120 I148 V149 P150 F189 | P74-T127 HydrophobicContact CB-CG2 4.19Å; P74-T127 HydrophobicContact CG-CG2 4.33Å; P74-T127 WeakPolarHBondContact CG-OG1 3.34Å; L77-T127 HydrophobicContact CD2-CG2 3.64Å; T120-T127 PolarHBondContact N-O 2.94Å; T120-T127 PolarHBondContact O-N 3.02Å; T127-I148 HydrophobicContact CG2-CG2 3.5Å; T127-V149 WeakPolarHBondContact CA-O 3.45Å; T127-V149 WeakPolarHBondContact CG2-O 3.33Å; T127-P150 HydrophobicContact CG2-CB 4.38Å; T127-F189 WeakPolarHBondContact O-CE1 3.43Å |
| 128 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137.4 | 169.5 | 62.5 | 0 | 0 | 0 | 0 | 109.3 | L117 I118 F119 I148 V149 F151 I173 I185 F189 | L117-V128 HydrophobicContact CD2-CG2 3.81Å; I118-V128 CarbonylContact O-C 3.47Å; I118-V128 VanDerWaalsContact O-CA 3.22Å; I118-V128 WeakPolarHBondContact O-CA 3.17Å; F119-V128 HydrophobicContact CD1-CB 4.08Å; F119-V128 HydrophobicContact CD1-CG2 3.78Å; F119-V128 HydrophobicContact CE1-CB 4.2Å; F119-V128 HydrophobicContact CE1-CG2 3.52Å; F119-V128 HydrophobicContact CZ-CG2 4.08Å; V128-I148 CarbonylContact O-C 3.56Å; V128-I148 WeakPolarHBondContact O-CA 3.27Å; V128-V149 HydrophobicContact CG1-CB 3.73Å; V128-V149 HydrophobicContact CG1-CG2 4.26Å; V128-V149 PolarHBondContact N-O 2.68Å; V128-V149 PolarHBondContact O-N 2.89Å; V128-F151 HydrophobicContact CG1-CE2 4.04Å; V128-I173 HydrophobicContact CG1-CD1 3.82Å; V128-I173 HydrophobicContact CG2-CD1 4.25Å; V128-I185 HydrophobicContact CB-CG2 4.45Å; V128-I185 HydrophobicContact CG1-CD1 4.46Å; V128-I185 HydrophobicContact CG1-CG2 4.24Å; V128-F189 HydrophobicContact CB-CZ 4.14Å |
| 129 | G | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | L117 I118 P147 | L117-G129 WeakPolarHBondContact CA-O 3.42Å; I118-G129 WeakPolarHBondContact CD1-O 3.46Å; I118-G129 PolarHBondContact N-O 2.9Å; I118-G129 PolarHBondContact O-N 3.06Å; G129-P147 CarbonylContact C-O 3.49Å; G129-P147 WeakPolarHBondContact CA-O 3.18Å |
| 130 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.3 | 179.2 | 178.2 | 67.4 | 0 | 0 | 0 | 111 | L117 Y135 P147 I173 W203 | L117-L130 HydrophobicContact CD2-CB 4.06Å; L117-L130 HydrophobicContact CD2-CD1 3.77Å; L117-L130 HydrophobicContact CG-CD1 3.95Å; L130-Y135 HydrophobicContact CD2-CD1 4.38Å; L130-Y135 HydrophobicContact CD2-CG 4.33Å; L130-P147 HydrophobicContact CB-CB 4.2Å; L130-P147 HydrophobicContact CB-CG 4.3Å; L130-P147 HydrophobicContact CD2-CG 4.13Å; L130-P147 PolarHBondContact N-O 3.37Å; L130-I173 HydrophobicContact CB-CD1 4.42Å; L130-I173 HydrophobicContact CB-CG1 4.04Å; L130-I173 HydrophobicContact CD2-CG1 4.2Å; L130-W203 HydrophobicContact CD1-CH2 3.61Å; L130-W203 HydrophobicContact CD1-CZ2 4.33Å |
| 131 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 99.8 | 166.1 | -176.1 | 65.7 | 0 | 0 | 0 | 108.5 | L19 L81 F105 K106 M110 A116 V144 V146 | L19-L131 HydrophobicContact CD1-CD1 3.9Å; L19-L131 HydrophobicContact CD1-CG 4.43Å; L19-L131 HydrophobicContact CD2-CD1 4.09Å; L81-L131 HydrophobicContact CD2-CB 4.1Å; F105-L131 HydrophobicContact CE1-CD2 3.91Å; K106-L131 HydrophobicContact CB-CD2 4.48Å; K106-L131 HydrophobicContact CG-CD2 4.15Å; M110-L131 HydrophobicContact CE-CD2 4.17Å; M110-L131 HydrophobicContact CE-CG 4.19Å; M110-L131 HydrophobicContact CG-CD2 4.43Å; M110-L131 HydrophobicContact SD-CD2 4.4Å; M110-L131 HydrophobicContact SD-CG 4.35Å; A116-L131 PolarHBondContact N-O 3.32Å; A116-L131 PolarHBondContact O-N 2.96Å; L131-V144 HydrophobicContact CD1-CG1 4.27Å; L131-V146 HydrophobicContact CD1-CG1 3.97Å |
| 132 | S | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 119.3 | -170 | 166.1 | 0 | 0 | 0 | 0 | 111.9 | D115 T134 Y135 L136 | D115-S132 VanDerWaalsContact CG-OG 3.3Å; D115-S132 WeakPolarHBondContact OD1-CA 3.28Å; D115-S132 WeakPolarHBondContact OD1-CB 3.49Å; D115-S132 PolarHBondContact OD1-OG 3.07Å; S132-T134 VanDerWaalsContact C-N 3.29Å; S132-T134 PolarHBondContact OG-N 2.79Å; S132-Y135 VanDerWaalsContact OG-CB 3.27Å; S132-Y135 WeakPolarHBondContact OG-CB 3.28Å; S132-Y135 PolarHBondContact OG-N 3.12Å; S132-L136 VanDerWaalsContact O-CG 3.23Å; S132-L136 WeakPolarHBondContact O-CG 3.41Å; S132-L136 PolarHBondContact O-N 3.12Å |
| 133 | Q | 98.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -35.2 | 171.6 | -66.8 | 178 | 55.8 | 0 | 0 | 110.9 | L19 M110 R114 D115 L136 Q137 | L19-Q133 HydrophobicContact CB-CG 4.01Å; L19-Q133 HydrophobicContact CD1-CG 3.99Å; M110-Q133 HydrophobicContact SD-CG 3.92Å; M110-Q133 PolarHBondContact SD-NE2 2.7Å; R114-Q133 HydrophobicContact CB-CB 4.49Å; R114-Q133 WeakPolarHBondContact O-CB 3.05Å; R114-Q133 WeakPolarHBondContact O-CG 3.48Å; R114-Q133 PolarHBondContact O-N 2.98Å; D115-Q133 PolarHBondContact OD1-N 3.24Å; Q133-L136 PolarHBondContact O-N 3.45Å; Q133-Q137 WeakPolarHBondContact O-CB 3.36Å; Q133-Q137 VanDerWaalsContact O-CG 3.25Å; Q133-Q137 WeakPolarHBondContact O-CG 3.41Å; Q133-Q137 PolarHBondContact O-N 2.78Å |
| 134 | T | 97.7 | Very high | 96.5 | Very high | 33 Ų | 33 | 38.9 Ų | 38.9 | 20% | 0.202 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -47.7 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 111 | D115 S132 L136 Q137 N138 | D115-T134 VanDerWaalsContact OD1-CB 3.32Å; D115-T134 WeakPolarHBondContact OD1-CB 3.28Å; D115-T134 PolarHBondContact OD1-N 2.75Å; D115-T134 PolarHBondContact OD1-OG1 3.02Å; D115-T134 WeakPolarHBondContact OD2-CB 3.3Å; D115-T134 PolarHBondContact OD2-OG1 3.39Å; S132-T134 VanDerWaalsContact C-N 3.29Å; S132-T134 PolarHBondContact OG-N 2.79Å; T134-L136 PolarHBondContact O-N 2.82Å; T134-Q137 PolarHBondContact O-N 3.31Å; T134-N138 WeakPolarHBondContact O-CB 3.48Å; T134-N138 PolarHBondContact O-N 2.9Å; T134-N138 PolarHBondContact O-ND2 2.73Å; T134-N138 PolarHBondContact O-OD1 2.91Å |
| 135 | Y | 98.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 41 Ų | 41 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.9 | -54.3 | 172.4 | 165.4 | -119.1 | 0 | 0 | 0 | 111.7 | L130 S132 Q137 N138 I139 I145 P147 A172 H176 | L130-Y135 HydrophobicContact CD2-CD1 4.38Å; L130-Y135 HydrophobicContact CD2-CG 4.33Å; S132-Y135 VanDerWaalsContact OG-CB 3.27Å; S132-Y135 WeakPolarHBondContact OG-CB 3.28Å; S132-Y135 PolarHBondContact OG-N 3.12Å; Y135-Q137 VanDerWaalsContact C-N 3.27Å; Y135-Q137 PolarHBondContact O-N 2.84Å; Y135-N138 PolarHBondContact O-N 2.78Å; Y135-N138 VanDerWaalsContact O-N 3.14Å; Y135-I139 HydrophobicContact CD2-CG2 4.09Å; Y135-I139 HydrophobicContact CE1-CD1 4.11Å; Y135-I139 HydrophobicContact CE2-CD1 3.86Å; Y135-I139 HydrophobicContact CE2-CG1 4.34Å; Y135-I139 HydrophobicContact CE2-CG2 3.79Å; Y135-I139 WeakPolarHBondContact O-CG1 3.46Å; Y135-I139 PolarHBondContact O-N 3.46Å; Y135-I139 VanDerWaalsContact O-N 3.08Å; Y135-I145 HydrophobicContact CE1-CB 4.34Å; Y135-I145 HydrophobicContact CE1-CG2 4.28Å; Y135-P147 HydrophobicContact CD1-CG 4.46Å; Y135-P147 HydrophobicContact CE1-CG 3.8Å; Y135-A172 HydrophobicContact CE2-CB 3.97Å; Y135-H176 HydrophobicContact CD2-CB 3.87Å; Y135-H176 AromaticContact CD2-CD2 3.55Å; Y135-H176 AromaticContact CD2-CG 3.74Å; Y135-H176 AromaticContact CE2-CD2 3.76Å; Y135-H176 HydrophobicContact CG-CB 4.48Å |
| 136 | L | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -36.1 | -177.6 | -66.2 | 171.1 | 0 | 0 | 0 | 112.6 | P16 L19 S132 Q133 T134 K140 A141 V144 I145 | P16-L136 HydrophobicContact CB-CB 3.93Å; P16-L136 HydrophobicContact CB-CD1 3.93Å; P16-L136 HydrophobicContact CG-CB 4.05Å; P16-L136 HydrophobicContact CG-CD1 4.21Å; L19-L136 HydrophobicContact CD1-CD1 3.76Å; S132-L136 VanDerWaalsContact O-CG 3.23Å; S132-L136 WeakPolarHBondContact O-CG 3.41Å; S132-L136 PolarHBondContact O-N 3.12Å; Q133-L136 PolarHBondContact O-N 3.45Å; T134-L136 PolarHBondContact O-N 2.82Å; L136-K140 PolarHBondContact O-N 3.48Å; L136-A141 HydrophobicContact CB-CB 4.22Å; L136-A141 HydrophobicContact CD2-CB 3.76Å; L136-A141 PolarHBondContact O-N 2.52Å; L136-V144 HydrophobicContact CD1-CG1 4.37Å; L136-V144 HydrophobicContact CD1-CG2 4.4Å; L136-I145 HydrophobicContact CD2-CB 3.94Å |
| 137 | Q | 97.2 | Very high | 97.1 | Very high | 107 Ų | 107 | 41.1 Ų | 41.1 | 50% | 0.5 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.5 | -45.8 | 174.4 | -75.4 | 175.7 | 2.2 | 0 | 0 | 112 | R114 Q133 T134 Y135 I139 K140 | R114-Q137 VanDerWaalsContact NH2-NE2 3.16Å; Q133-Q137 WeakPolarHBondContact O-CB 3.36Å; Q133-Q137 VanDerWaalsContact O-CG 3.25Å; Q133-Q137 WeakPolarHBondContact O-CG 3.41Å; Q133-Q137 PolarHBondContact O-N 2.78Å; T134-Q137 PolarHBondContact O-N 3.31Å; Y135-Q137 VanDerWaalsContact C-N 3.27Å; Y135-Q137 PolarHBondContact O-N 2.84Å; Q137-I139 VanDerWaalsContact C-N 3.29Å; Q137-I139 PolarHBondContact O-N 2.81Å; Q137-K140 PolarHBondContact O-N 2.76Å |
| 138 | N | 97 | Very high | 97.1 | Very high | 98 Ų | 98 | 41.7 Ų | 41.7 | 52% | 0.524 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.5 | -39.7 | -178.4 | -71.6 | -12.8 | 0 | 0 | 0 | 112 | T134 Y135 K140 | T134-N138 WeakPolarHBondContact O-CB 3.48Å; T134-N138 PolarHBondContact O-N 2.9Å; T134-N138 PolarHBondContact O-ND2 2.73Å; T134-N138 PolarHBondContact O-OD1 2.91Å; Y135-N138 PolarHBondContact O-N 2.78Å; Y135-N138 VanDerWaalsContact O-N 3.14Å; N138-K140 VanDerWaalsContact C-N 3.29Å |
| 139 | I | 96.6 | Very high | 97.1 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 34% | 0.344 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 3.1 | 177.2 | 70.2 | 163.5 | 0 | 0 | 0 | 113.4 | Y135 Q137 A141 I145 | Y135-I139 HydrophobicContact CD2-CG2 4.09Å; Y135-I139 HydrophobicContact CE1-CD1 4.11Å; Y135-I139 HydrophobicContact CE2-CD1 3.86Å; Y135-I139 HydrophobicContact CE2-CG1 4.34Å; Y135-I139 HydrophobicContact CE2-CG2 3.79Å; Y135-I139 WeakPolarHBondContact O-CG1 3.46Å; Y135-I139 PolarHBondContact O-N 3.46Å; Y135-I139 VanDerWaalsContact O-N 3.08Å; Q137-I139 VanDerWaalsContact C-N 3.29Å; Q137-I139 PolarHBondContact O-N 2.81Å; I139-A141 HydrophobicContact CD1-CB 3.93Å; I139-A141 HydrophobicContact CG1-CB 3.88Å; I139-A141 PolarHBondContact O-N 2.97Å; I139-I145 HydrophobicContact CD1-CD1 4.01Å |
| 140 | K | 96.7 | Very high | 97 | Very high | 173 Ų | 173 | 42 Ų | 42 | 75% | 0.752 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.4 | -176.6 | -58.2 | 177.4 | -179 | 176.6 | 0 | 112.8 | L136 Q137 N138 Q142 | L136-K140 PolarHBondContact O-N 3.48Å; Q137-K140 PolarHBondContact O-N 2.76Å; N138-K140 VanDerWaalsContact C-N 3.29Å; K140-Q142 PolarHBondContact O-NE2 2.76Å |
| 141 | A | 94.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 42 Ų | 42 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | trans | -60.1 | 138.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P16 L136 I139 A143 I145 | P16-A141 HydrophobicContact CG-CB 4.18Å; P16-A141 WeakPolarHBondContact CG-O 3.28Å; L136-A141 HydrophobicContact CB-CB 4.22Å; L136-A141 HydrophobicContact CD2-CB 3.76Å; L136-A141 PolarHBondContact O-N 2.52Å; I139-A141 HydrophobicContact CD1-CB 3.93Å; I139-A141 HydrophobicContact CG1-CB 3.88Å; I139-A141 PolarHBondContact O-N 2.97Å; A141-A143 WeakPolarHBondContact CB-O 3.36Å; A141-I145 HydrophobicContact CB-CD1 4.2Å | ||
| 142 | Q | 92.9 | Very high | 96.6 | Very high | 163 Ų | 163 | 44.3 Ų | 44.3 | 76% | 0.762 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -89.3 | -13.5 | 174.9 | -60.9 | -59 | -53.4 | 0 | 0 | 112.6 | K140 | K140-Q142 PolarHBondContact O-NE2 2.76Š|
| 143 | A | 94.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 46 Ų | 46 | 28% | 0.281 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -141.4 | 159.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | M14 A141 I145 | M14-A143 CarbonylContact O-C 3.46Å; M14-A143 VanDerWaalsContact O-CA 3.28Å; M14-A143 WeakPolarHBondContact O-CA 3.39Å; A141-A143 WeakPolarHBondContact CB-O 3.36Å; A143-I145 PolarHBondContact O-N 3.14Å |
| 144 | V | 95.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 52.6 Ų | 52.6 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | trans | -63.2 | 119.9 | 172.2 | 176.5 | 0 | 0 | 0 | 0 | 109.8 | M14 L19 L131 L136 V146 | M14-V144 HydrophobicContact CB-CG2 4.49Å; M14-V144 HydrophobicContact CG-CG2 4.16Å; M14-V144 PolarHBondContact O-N 3.5Å; L19-V144 HydrophobicContact CD1-CG2 4.4Å; L19-V144 HydrophobicContact CD2-CG2 4.17Å; L19-V144 HydrophobicContact CG-CG2 4.11Å; L131-V144 HydrophobicContact CD1-CG1 4.27Å; L136-V144 HydrophobicContact CD1-CG1 4.37Å; L136-V144 HydrophobicContact CD1-CG2 4.4Å; V144-V146 HydrophobicContact CG1-CG1 4.08Å | ||
| 145 | I | 96.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | trans | -115.1 | 134.7 | 175.2 | -61.8 | 165.7 | 0 | 0 | 0 | 107.7 | Y135 L136 I139 A141 A143 | Y135-I145 HydrophobicContact CE1-CB 4.34Å; Y135-I145 HydrophobicContact CE1-CG2 4.28Å; L136-I145 HydrophobicContact CD2-CB 3.94Å; I139-I145 HydrophobicContact CD1-CD1 4.01Å; A141-I145 HydrophobicContact CB-CD1 4.2Å; A143-I145 PolarHBondContact O-N 3.14Å | ||
| 146 | V | 97.2 | Very high | 93.3 | Very high | 26 Ų | 26 | 59.4 Ų | 59.4 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | trans | -126.1 | 96.6 | -174.9 | -70.4 | 0 | 0 | 0 | 0 | 110.5 | L81 L131 V144 I148 | L81-V146 HydrophobicContact CB-CB 4.33Å; L81-V146 HydrophobicContact CB-CG1 4.09Å; L81-V146 HydrophobicContact CB-CG2 4.35Å; L81-V146 HydrophobicContact CD1-CB 4Å; L81-V146 HydrophobicContact CD1-CG1 4.34Å; L131-V146 HydrophobicContact CD1-CG1 3.97Å; V144-V146 HydrophobicContact CG1-CG1 4.08Å; V146-I148 HydrophobicContact CG2-CD1 4.5Å; V146-I148 PolarHBondContact O-N 2.85Å | ||
| 147 | P | 98.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.019 | 35% | 0.348 | C | S | . | . | trans | -58.4 | 130.5 | 173.9 | -28 | 37.6 | 0 | 0 | 0 | 111.5 | G129 L130 Y135 A172 I173 | G129-P147 CarbonylContact C-O 3.49Å; G129-P147 WeakPolarHBondContact CA-O 3.18Å; L130-P147 HydrophobicContact CB-CB 4.2Å; L130-P147 HydrophobicContact CB-CG 4.3Å; L130-P147 HydrophobicContact CD2-CG 4.13Å; L130-P147 PolarHBondContact N-O 3.37Å; Y135-P147 HydrophobicContact CD1-CG 4.46Å; Y135-P147 HydrophobicContact CE1-CG 3.8Å; P147-A172 HydrophobicContact CB-CB 4.37Å; P147-A172 HydrophobicContact CG-CB 3.94Å; P147-I173 HydrophobicContact CB-CD1 4.29Å; P147-I173 HydrophobicContact CB-CG1 4.01Å | ||
| 148 | I | 98.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.6 | 179.5 | -64.6 | 174.1 | 0 | 0 | 0 | 108.9 | L77 H78 L81 T127 V128 V146 S169 | L77-I148 HydrophobicContact CD2-CG2 4.42Å; H78-I148 HydrophobicContact CB-CD1 3.54Å; L81-I148 HydrophobicContact CD1-CD1 4.25Å; L81-I148 HydrophobicContact CD1-CG1 4.24Å; T127-I148 HydrophobicContact CG2-CG2 3.5Å; V128-I148 CarbonylContact O-C 3.56Å; V128-I148 WeakPolarHBondContact O-CA 3.27Å; V146-I148 HydrophobicContact CG2-CD1 4.5Å; V146-I148 PolarHBondContact O-N 2.85Å; I148-S169 PolarHBondContact N-OG 2.93Å; I148-S169 WeakPolarHBondContact O-CB 3.39Å; I148-S169 PolarHBondContact O-OG 2.84Å |
| 149 | V | 98.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 108.1 | -175.3 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | T127 V128 F151 L160 L170 I173 | T127-V149 WeakPolarHBondContact CA-O 3.45Å; T127-V149 WeakPolarHBondContact CG2-O 3.33Å; V128-V149 HydrophobicContact CG1-CB 3.73Å; V128-V149 HydrophobicContact CG1-CG2 4.26Å; V128-V149 PolarHBondContact N-O 2.68Å; V128-V149 PolarHBondContact O-N 2.89Å; V149-F151 HydrophobicContact CB-CE2 4.07Å; V149-F151 HydrophobicContact CB-CZ 4.44Å; V149-F151 HydrophobicContact CG1-CD2 4.37Å; V149-F151 HydrophobicContact CG1-CE1 4.35Å; V149-F151 HydrophobicContact CG1-CE2 3.6Å; V149-F151 HydrophobicContact CG1-CZ 3.58Å; V149-L160 HydrophobicContact CG1-CD1 3.21Å; V149-L170 HydrophobicContact CG1-CB 4.15Å; V149-L170 HydrophobicContact CG1-CD1 4.39Å; V149-L170 HydrophobicContact CG2-CB 3.95Å; V149-I173 HydrophobicContact CG2-CD1 3.79Å |
| 150 | P | 97 | Very high | 90.4 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 142.1 | 173.9 | 30.3 | -29.1 | 0 | 0 | 0 | 112.2 | P74 T127 V161 T163 | P74-P150 HydrophobicContact CB-CB 4.43Å; P74-P150 HydrophobicContact CG-CB 3.8Å; T127-P150 HydrophobicContact CG2-CB 4.38Å; P150-V161 HydrophobicContact CB-CB 4.16Å; P150-V161 HydrophobicContact CG-CB 4.02Å; P150-V161 HydrophobicContact CG-CG1 4.49Å; P150-V161 PolarHBondContact O-N 3.18Å; P150-T163 HydrophobicContact CG-CG2 4.11Å |
| 151 | F | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 147.2 | 172.4 | -58.7 | -93.2 | 0 | 0 | 0 | 109.7 | C125 Q126 V128 V149 Q153 R158 S159 L160 L170 Q182 I185 F189 | C125-F151 PolarHBondContact SG-O 3.06Å; Q126-F151 HydrophobicContact CG-CB 3.7Å; Q126-F151 PolarHBondContact N-O 2.77Å; Q126-F151 PolarHBondContact O-N 2.84Å; V128-F151 HydrophobicContact CG1-CE2 4.04Å; V149-F151 HydrophobicContact CB-CE2 4.07Å; V149-F151 HydrophobicContact CB-CZ 4.44Å; V149-F151 HydrophobicContact CG1-CD2 4.37Å; V149-F151 HydrophobicContact CG1-CE1 4.35Å; V149-F151 HydrophobicContact CG1-CE2 3.6Å; V149-F151 HydrophobicContact CG1-CZ 3.58Å; F151-Q153 PolarHBondContact O-N 3.07Å; F151-R158 WeakPolarHBondContact CD1-O 3.13Å; F151-S159 WeakPolarHBondContact CA-O 3.42Å; F151-L160 HydrophobicContact CD1-CB 4.32Å; F151-L160 HydrophobicContact CD1-CD1 4.37Å; F151-L160 HydrophobicContact CE1-CB 4.26Å; F151-L160 HydrophobicContact CE1-CD1 4Å; F151-L160 HydrophobicContact CZ-CD1 4.32Å; F151-L170 HydrophobicContact CZ-CD1 4.4Å; F151-Q182 HydrophobicContact CE1-CG 4.12Å; F151-Q182 HydrophobicContact CZ-CG 4.42Å; F151-I185 HydrophobicContact CE2-CG2 4.08Å; F151-I185 HydrophobicContact CZ-CG2 4.41Å; F151-F189 AromaticContact CD2-CE2 3.87Å; F151-F189 HydrophobicContact CD2-CE2 3.87Å; F151-F189 HydrophobicContact CD2-CZ 4.28Å; F151-F189 HydrophobicContact CE2-CE2 4.18Å |
| 152 | N | 92.3 | Very high | 89.9 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.1 | 174 | -170.1 | -26.8 | 0 | 0 | 0 | 109.3 | Q154 T155 R158 S159 V161 | N152-Q154 WeakPolarHBondContact OD1-CB 3.38Å; N152-Q154 PolarHBondContact OD1-N 3.49Å; N152-T155 HydrophobicContact CB-CG2 4.35Å; N152-R158 VanDerWaalsContact O-CA 3.29Å; N152-R158 WeakPolarHBondContact O-CA 3.34Å; N152-S159 PolarHBondContact N-O 3.23Å; N152-V161 HydrophobicContact CB-CG2 4.25Å |
| 153 | Q | 89.4 | Confident | 89.8 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -83.3 | -21.6 | -179.9 | -166.2 | -176.8 | -17 | 0 | 0 | 112.6 | G123 G124 C125 F151 K195 | G123-Q153 VanDerWaalsContact CA-OE1 3.27Å; G124-Q153 WeakPolarHBondContact O-CB 3.44Å; G124-Q153 PolarHBondContact O-N 3.16Å; G124-Q153 VanDerWaalsContact O-N 3.12Å; C125-Q153 PolarHBondContact O-OE1 2.84Å; F151-Q153 PolarHBondContact O-N 3.07Å; Q153-K195 PolarHBondContact NE2-O 2.88Å; Q153-K195 PolarHBondContact OE1-O 2.88Å |
| 154 | Q | 84.6 | Confident | 89.6 | Confident | 153 Ų | 153 | 63.4 Ų | 63.4 | 72% | 0.715 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -83.4 | -23.3 | -172.9 | -61.1 | 177.3 | -22.2 | 0 | 0 | 112.8 | N152 | N152-Q154 WeakPolarHBondContact OD1-CB 3.38Å; N152-Q154 PolarHBondContact OD1-N 3.49Å |
| 155 | T | 78.1 | Confident | 89.5 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 31% | 0.307 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -82.3 | 139.6 | 178.3 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | N152 L157 R158 S159 | N152-T155 HydrophobicContact CB-CG2 4.35Å; T155-L157 PolarHBondContact O-N 3.22Å; T155-R158 WeakPolarHBondContact O-CG 3.34Å; T155-R158 PolarHBondContact O-N 3.22Å; T155-R158 PolarHBondContact OG1-N 3.33Å; T155-S159 PolarHBondContact OG1-N 2.7Å |
| 156 | T | 71.8 | Confident | 89.3 | Confident | 148 Ų | 148 | 62.3 Ų | 62.3 | 91% | 0.908 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -35.5 | 176.4 | -45 | 0 | 0 | 0 | 0 | 111.6 | R158 | T156-R158 VanDerWaalsContact C-N 3.29Å; T156-R158 PolarHBondContact O-N 3.04Å |
| 157 | L | 71.4 | Confident | 89.3 | Confident | 152 Ų | 152 | 67.1 Ų | 67.1 | 80% | 0.796 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -10.3 | 178.3 | -64.6 | 173.3 | 0 | 0 | 0 | 113.8 | T155 S159 | T155-L157 PolarHBondContact O-N 3.22Å; L157-S159 PolarHBondContact O-N 3.03Å |
| 158 | R | 80.9 | Confident | 89.2 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 25% | 0.253 | 38% | 0.383 | S | S | . | . | trans | 44.5 | 49.2 | -176.7 | -67 | 171.9 | -178 | 167.8 | -2.2 | 113.1 | F151 N152 T155 T156 L186 N190 | F151-R158 WeakPolarHBondContact CD1-O 3.13Å; N152-R158 VanDerWaalsContact O-CA 3.29Å; N152-R158 WeakPolarHBondContact O-CA 3.34Å; T155-R158 WeakPolarHBondContact O-CG 3.34Å; T155-R158 PolarHBondContact O-N 3.22Å; T155-R158 PolarHBondContact OG1-N 3.33Å; T156-R158 VanDerWaalsContact C-N 3.29Å; T156-R158 PolarHBondContact O-N 3.04Å; R158-L186 HydrophobicContact CB-CD2 3.84Å; R158-L186 HydrophobicContact CG-CD2 4.43Å; R158-N190 PolarHBondContact NH1-ND2 2.94Å; R158-N190 PolarHBondContact NH1-OD1 3.31Å; R158-N190 PolarHBondContact NH2-OD1 3.11Å | ||
| 159 | S | 85 | Confident | 89.2 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | trans | -59.8 | 145.6 | -172.9 | 55.9 | 0 | 0 | 0 | 0 | 112 | F151 N152 T155 L157 V161 | F151-S159 WeakPolarHBondContact CA-O 3.42Å; N152-S159 PolarHBondContact N-O 3.23Å; T155-S159 PolarHBondContact OG1-N 2.7Å; L157-S159 PolarHBondContact O-N 3.03Å; S159-V161 PolarHBondContact O-N 3.29Å | ||
| 160 | L | 90.7 | Very high | 89.2 | Confident | 42 Ų | 42 | 71.2 Ų | 71.2 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -53.6 | 134.4 | 168.9 | -179.5 | 66.2 | 0 | 0 | 0 | 109.7 | V149 F151 E167 L170 | V149-L160 HydrophobicContact CG1-CD1 3.21Å; F151-L160 HydrophobicContact CD1-CB 4.32Å; F151-L160 HydrophobicContact CD1-CD1 4.37Å; F151-L160 HydrophobicContact CE1-CB 4.26Å; F151-L160 HydrophobicContact CE1-CD1 4Å; F151-L160 HydrophobicContact CZ-CD1 4.32Å; L160-E167 HydrophobicContact CD2-CG 4.21Å; L160-L170 HydrophobicContact CD2-CD2 4.33Å |
| 161 | V | 90.5 | Very high | 89.3 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 35% | 0.352 | 41% | 0.407 | S | S | . | . | trans | -90 | 111 | 168.8 | 178.6 | 0 | 0 | 0 | 0 | 106.9 | P150 N152 S159 T163 S166 | P150-V161 HydrophobicContact CB-CB 4.16Å; P150-V161 HydrophobicContact CG-CB 4.02Å; P150-V161 HydrophobicContact CG-CG1 4.49Å; P150-V161 PolarHBondContact O-N 3.18Å; N152-V161 HydrophobicContact CB-CG2 4.25Å; S159-V161 PolarHBondContact O-N 3.29Å; V161-T163 PolarHBondContact O-N 3.03Å; V161-T163 VanDerWaalsContact O-N 3.14Å; V161-S166 PolarHBondContact O-OG 3.13Å | ||
| 162 | V | 90.3 | Very high | 89.4 | Confident | 107 Ų | 107 | 73.9 Ų | 73.9 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | trans | -71.8 | 108.3 | -177.3 | -176 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 163 | T | 90.3 | Very high | 89.7 | Confident | 55 Ų | 55 | 71.6 Ų | 71.6 | 34% | 0.337 | 40% | 0.399 | S | S | . | . | trans | -112.1 | 167.4 | 165.8 | 66.6 | 0 | 0 | 0 | 0 | 109.7 | P150 V161 D165 S166 | P150-T163 HydrophobicContact CG-CG2 4.11Å; V161-T163 PolarHBondContact O-N 3.03Å; V161-T163 VanDerWaalsContact O-N 3.14Å; T163-D165 PolarHBondContact O-N 3.15Å; T163-D165 PolarHBondContact OG1-OD1 2.64Å; T163-S166 PolarHBondContact N-OG 2.98Å; T163-S166 PolarHBondContact O-N 3.45Å; T163-S166 PolarHBondContact O-OG 3.08Å; T163-S166 VanDerWaalsContact OG1-CB 3.24Å; T163-S166 WeakPolarHBondContact OG1-CB 3.43Å; T163-S166 PolarHBondContact OG1-N 3.47Å | ||
| 164 | E | 90.5 | Very high | 90.1 | Very high | 209 Ų | 209 | 72 Ų | 72 | 98% | 0.977 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -33 | 178.9 | -170.4 | -177.2 | 176.2 | 0 | 0 | 113.5 | ||
| 165 | D | 92.4 | Very high | 90.7 | Very high | 80 Ų | 80 | 71.3 Ų | 71.3 | 43% | 0.428 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -6.9 | -174.1 | 65.9 | -36.6 | 0 | 0 | 0 | 114.8 | T163 E167 S169 | T163-D165 PolarHBondContact O-N 3.15Å; T163-D165 PolarHBondContact OG1-OD1 2.64Å; D165-E167 PolarHBondContact O-N 2.86Å; D165-S169 WeakPolarHBondContact O-CB 3.2Å; D165-S169 PolarHBondContact O-N 2.75Å; D165-S169 PolarHBondContact O-OG 3.32Å |
| 166 | S | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | -170.2 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | V161 T163 S169 L170 | V161-S166 PolarHBondContact O-OG 3.13Å; T163-S166 PolarHBondContact N-OG 2.98Å; T163-S166 PolarHBondContact O-N 3.45Å; T163-S166 PolarHBondContact O-OG 3.08Å; T163-S166 VanDerWaalsContact OG1-CB 3.24Å; T163-S166 WeakPolarHBondContact OG1-CB 3.43Å; T163-S166 PolarHBondContact OG1-N 3.47Å; S166-S169 PolarHBondContact O-N 3.3Å; S166-L170 WeakPolarHBondContact O-CB 3.4Å; S166-L170 PolarHBondContact O-N 3.44Å |
| 167 | E | 96.3 | Very high | 92.7 | Very high | 127 Ų | 127 | 64.1 Ų | 64.1 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.7 | -46.1 | -178.4 | -66.5 | -177.7 | 164.4 | 0 | 0 | 111.6 | L160 D165 S169 L170 A171 | L160-E167 HydrophobicContact CD2-CG 4.21Å; D165-E167 PolarHBondContact O-N 2.86Å; E167-S169 VanDerWaalsContact C-N 3.3Å; E167-S169 PolarHBondContact O-N 3.41Å; E167-L170 PolarHBondContact O-N 2.8Å; E167-A171 PolarHBondContact O-N 3.13Å |
| 168 | A | 97.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 57.7 Ų | 57.7 | 59% | 0.587 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | A171 A172 | A168-A171 PolarHBondContact O-N 3.34Å; A168-A172 WeakPolarHBondContact O-CB 3.31Å; A168-A172 PolarHBondContact O-N 3.26Å |
| 169 | S | 98.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.3 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | I148 D165 S166 E167 A172 I173 | I148-S169 PolarHBondContact N-OG 2.93Å; I148-S169 WeakPolarHBondContact O-CB 3.39Å; I148-S169 PolarHBondContact O-OG 2.84Å; D165-S169 WeakPolarHBondContact O-CB 3.2Å; D165-S169 PolarHBondContact O-N 2.75Å; D165-S169 PolarHBondContact O-OG 3.32Å; S166-S169 PolarHBondContact O-N 3.3Å; E167-S169 VanDerWaalsContact C-N 3.3Å; E167-S169 PolarHBondContact O-N 3.41Å; S169-A172 PolarHBondContact O-N 2.94Å; S169-I173 WeakPolarHBondContact O-CG1 3.19Å; S169-I173 PolarHBondContact O-N 3.46Å |
| 170 | L | 98.1 | Very high | 95 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 176.2 | -179.1 | 59.2 | 0 | 0 | 0 | 110.8 | V149 F151 L160 S166 E167 A172 I173 L174 I185 | V149-L170 HydrophobicContact CG1-CB 4.15Å; V149-L170 HydrophobicContact CG1-CD1 4.39Å; V149-L170 HydrophobicContact CG2-CB 3.95Å; F151-L170 HydrophobicContact CZ-CD1 4.4Å; L160-L170 HydrophobicContact CD2-CD2 4.33Å; S166-L170 WeakPolarHBondContact O-CB 3.4Å; S166-L170 PolarHBondContact O-N 3.44Å; E167-L170 PolarHBondContact O-N 2.8Å; L170-A172 VanDerWaalsContact C-N 3.3Å; L170-A172 PolarHBondContact O-N 2.59Å; L170-I173 PolarHBondContact O-N 3.11Å; L170-I173 VanDerWaalsContact O-N 3.13Å; L170-L174 HydrophobicContact CD1-CD1 4Å; L170-L174 HydrophobicContact CD1-CD2 4.29Å; L170-L174 HydrophobicContact CD1-CG 3.98Å; L170-L174 HydrophobicContact CG-CD1 4Å; L170-L174 HydrophobicContact CG-CG 4.34Å; L170-L174 WeakPolarHBondContact O-CG 3.24Å; L170-L174 PolarHBondContact O-N 3.44Å; L170-I185 HydrophobicContact CD1-CD1 3.73Å |
| 171 | A | 97.8 | Very high | 95.2 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 45% | 0.446 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.8 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E167 A168 I173 L174 Q175 | E167-A171 PolarHBondContact O-N 3.13Å; A168-A171 PolarHBondContact O-N 3.34Å; A171-I173 PolarHBondContact O-N 3.31Å; A171-L174 PolarHBondContact O-N 3.44Å; A171-Q175 VanDerWaalsContact O-CB 3.22Å; A171-Q175 WeakPolarHBondContact O-CB 3.21Å; A171-Q175 PolarHBondContact O-N 3.5Å |
| 172 | A | 98.1 | Very high | 95.4 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y135 P147 A168 S169 L170 H176 | Y135-A172 HydrophobicContact CE2-CB 3.97Å; P147-A172 HydrophobicContact CB-CB 4.37Å; P147-A172 HydrophobicContact CG-CB 3.94Å; A168-A172 WeakPolarHBondContact O-CB 3.31Å; A168-A172 PolarHBondContact O-N 3.26Å; S169-A172 PolarHBondContact O-N 2.94Å; L170-A172 VanDerWaalsContact C-N 3.3Å; L170-A172 PolarHBondContact O-N 2.59Å; A172-H176 WeakPolarHBondContact O-CB 3.39Å; A172-H176 PolarHBondContact O-CD2 2.92Å; A172-H176 PolarHBondContact O-N 3.17Å |
| 173 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -50.7 | 176.8 | -71.3 | 173.4 | 0 | 0 | 0 | 110.7 | L117 V128 L130 P147 V149 S169 L170 A171 Q175 S177 I185 | L117-I173 HydrophobicContact CD2-CG2 4.26Å; V128-I173 HydrophobicContact CG1-CD1 3.82Å; V128-I173 HydrophobicContact CG2-CD1 4.25Å; L130-I173 HydrophobicContact CB-CD1 4.42Å; L130-I173 HydrophobicContact CB-CG1 4.04Å; L130-I173 HydrophobicContact CD2-CG1 4.2Å; P147-I173 HydrophobicContact CB-CD1 4.29Å; P147-I173 HydrophobicContact CB-CG1 4.01Å; V149-I173 HydrophobicContact CG2-CD1 3.79Å; S169-I173 WeakPolarHBondContact O-CG1 3.19Å; S169-I173 PolarHBondContact O-N 3.46Å; L170-I173 PolarHBondContact O-N 3.11Å; L170-I173 VanDerWaalsContact O-N 3.13Å; A171-I173 PolarHBondContact O-N 3.31Å; I173-Q175 VanDerWaalsContact C-N 3.32Å; I173-Q175 PolarHBondContact O-N 3.45Å; I173-S177 WeakPolarHBondContact O-CB 3.14Å; I173-S177 PolarHBondContact O-N 3.16Å; I173-S177 PolarHBondContact O-OG 2.63Å; I173-I185 HydrophobicContact CG2-CD1 4.23Å |
| 174 | L | 97.8 | Very high | 95.9 | Very high | 45 Ų | 45 | 59.8 Ų | 59.8 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -35.4 | -176.1 | -60.6 | -179.2 | 0 | 0 | 0 | 112.2 | L170 A171 I179 K180 S181 I185 | L170-L174 HydrophobicContact CD1-CD1 4Å; L170-L174 HydrophobicContact CD1-CD2 4.29Å; L170-L174 HydrophobicContact CD1-CG 3.98Å; L170-L174 HydrophobicContact CG-CD1 4Å; L170-L174 HydrophobicContact CG-CG 4.34Å; L170-L174 WeakPolarHBondContact O-CG 3.24Å; L170-L174 PolarHBondContact O-N 3.44Å; A171-L174 PolarHBondContact O-N 3.44Å; L174-I179 WeakPolarHBondContact CA-O 3.44Å; L174-K180 WeakPolarHBondContact O-CD 3.45Å; L174-S181 VanDerWaalsContact CD2-C 3.49Å; L174-I185 HydrophobicContact CD2-CD1 3.99Å |
| 175 | Q | 97.3 | Very high | 96.2 | Very high | 137 Ų | 137 | 49.9 Ų | 49.9 | 64% | 0.64 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -76.9 | -42.7 | -179.7 | -171.9 | 174.9 | 2.1 | 0 | 0 | 112.6 | A171 I173 | A171-Q175 VanDerWaalsContact O-CB 3.22Å; A171-Q175 WeakPolarHBondContact O-CB 3.21Å; A171-Q175 PolarHBondContact O-N 3.5Å; I173-Q175 VanDerWaalsContact C-N 3.32Å; I173-Q175 PolarHBondContact O-N 3.45Å |
| 176 | H | 96.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -110.4 | -12.8 | -166.5 | -61.3 | -70.4 | 0 | 0 | 0 | 115.7 | Y135 A172 | Y135-H176 HydrophobicContact CD2-CB 3.87Å; Y135-H176 AromaticContact CD2-CD2 3.55Å; Y135-H176 AromaticContact CD2-CG 3.74Å; Y135-H176 AromaticContact CE2-CD2 3.76Å; Y135-H176 HydrophobicContact CG-CB 4.48Å; A172-H176 WeakPolarHBondContact O-CB 3.39Å; A172-H176 PolarHBondContact O-CD2 2.92Å; A172-H176 PolarHBondContact O-N 3.17Å |
| 177 | S | 96.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -92.1 | 177.7 | 177.2 | 85.8 | 0 | 0 | 0 | 0 | 112.2 | I173 I179 K180 | I173-S177 WeakPolarHBondContact O-CB 3.14Å; I173-S177 PolarHBondContact O-N 3.16Å; I173-S177 PolarHBondContact O-OG 2.63Å; S177-I179 PolarHBondContact O-N 3.06Å; S177-I179 PolarHBondContact OG-N 3.38Å; S177-I179 PolarHBondContact OG-O 3.27Å; S177-K180 WeakPolarHBondContact O-CE 3.17Å; S177-K180 PolarHBondContact O-NZ 3.2Å |
| 178 | I | 95.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -73 | -9.9 | 171 | 52.4 | 170.4 | 0 | 0 | 0 | 113.3 | I57 Q60 L117 L201 W203 | I57-I178 HydrophobicContact CD1-CD1 4.4Å; Q60-I178 VanDerWaalsContact OE1-CG2 3.23Å; L117-I178 HydrophobicContact CD1-CG1 4.42Å; I178-L201 HydrophobicContact CD1-CD2 3.54Å; I178-L201 HydrophobicContact CD1-CG 4.11Å; I178-L201 HydrophobicContact CG1-CD2 4.33Å; I178-W203 HydrophobicContact CD1-CB 4.02Å; I178-W203 HydrophobicContact CD1-CD2 3.78Å; I178-W203 HydrophobicContact CD1-CE3 3.74Å; I178-W203 HydrophobicContact CD1-CG 3.93Å; I178-W203 HydrophobicContact CD1-CZ3 4.42Å; I178-W203 HydrophobicContact CG1-CD2 3.87Å; I178-W203 HydrophobicContact CG1-CE3 3.95Å; I178-W203 HydrophobicContact CG1-CG 4.3Å; I178-W203 HydrophobicContact CG1-CH2 4.47Å; I178-W203 HydrophobicContact CG1-CZ2 4.4Å; I178-W203 HydrophobicContact CG1-CZ3 4.24Å; I178-W203 VanDerWaalsContact CG2-CD1 3.49Å; I178-W203 HydrophobicContact CG2-CD2 4.01Å; I178-W203 HydrophobicContact CG2-CG 3.8Å |
| 179 | I | 94.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | trans | -99.7 | 127 | 176.7 | -67.2 | -178.6 | 0 | 0 | 0 | 109.2 | L117 F119 L174 S177 S181 E184 I185 H188 | L117-I179 HydrophobicContact CD1-CD1 3.84Å; L117-I179 HydrophobicContact CD1-CG1 4.1Å; F119-I179 HydrophobicContact CE1-CD1 3.95Å; F119-I179 HydrophobicContact CE2-CD1 4.39Å; F119-I179 HydrophobicContact CZ-CD1 3.37Å; L174-I179 WeakPolarHBondContact CA-O 3.44Å; S177-I179 PolarHBondContact O-N 3.06Å; S177-I179 PolarHBondContact OG-N 3.38Å; S177-I179 PolarHBondContact OG-O 3.27Å; I179-S181 WeakPolarHBondContact CG2-O 3.22Å; I179-E184 VanDerWaalsContact CA-OE2 3.28Å; I179-E184 WeakPolarHBondContact CA-OE2 3.31Å; I179-E184 HydrophobicContact CG2-CB 3.56Å; I179-I185 HydrophobicContact CG2-CG1 3.6Å; I179-H188 WeakPolarHBondContact CD1-CD2 3.48Å | ||
| 180 | K | 95.4 | Very high | 96.2 | Very high | 109 Ų | 109 | 47 Ų | 47 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | trans | -110.1 | -12.2 | -170.7 | -57.3 | -52.2 | -173.7 | -174 | 0 | 114.2 | L174 S177 E184 | L174-K180 WeakPolarHBondContact O-CD 3.45Å; S177-K180 WeakPolarHBondContact O-CE 3.17Å; S177-K180 PolarHBondContact O-NZ 3.2Å; K180-E184 PolarHBondContact N-OE2 2.91Å | ||
| 181 | S | 95.9 | Very high | 96.2 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -135.7 | 157.5 | 179.9 | 67.6 | 0 | 0 | 0 | 0 | 113.2 | L174 I179 E183 E184 I185 | L174-S181 VanDerWaalsContact CD2-C 3.49Å; I179-S181 WeakPolarHBondContact CG2-O 3.22Å; S181-E183 PolarHBondContact O-N 3.13Å; S181-E184 PolarHBondContact N-OE1 3.26Å; S181-E184 PolarHBondContact O-N 3.3Å; S181-E184 VanDerWaalsContact OG-CD 3.26Å; S181-E184 VanDerWaalsContact OG-CG 3.31Å; S181-E184 WeakPolarHBondContact OG-CG 3.25Å; S181-E184 PolarHBondContact OG-N 2.8Å; S181-E184 VanDerWaalsContact OG-N 3.16Å; S181-E184 PolarHBondContact OG-OE1 3.19Å; S181-I185 PolarHBondContact O-N 3.37Å |
| 182 | Q | 94.8 | Very high | 96.1 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.3 | -29.2 | 171.2 | -174.8 | 173.3 | -43.2 | 0 | 0 | 111.7 | F151 I185 L186 | F151-Q182 HydrophobicContact CE1-CG 4.12Å; F151-Q182 HydrophobicContact CZ-CG 4.42Å; Q182-I185 WeakPolarHBondContact O-CB 2.87Å; Q182-I185 PolarHBondContact O-N 2.81Å; Q182-L186 WeakPolarHBondContact O-CG 3.41Å; Q182-L186 PolarHBondContact O-N 3.32Å |
| 183 | E | 94.3 | Very high | 95.8 | Very high | 152 Ų | 152 | 49.6 Ų | 49.6 | 71% | 0.71 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.1 | -41.9 | 176 | -175.3 | 175.1 | -176.5 | 0 | 0 | 112.1 | S181 L186 T187 | S181-E183 PolarHBondContact O-N 3.13Å; E183-L186 WeakPolarHBondContact O-CB 3.28Å; E183-L186 PolarHBondContact O-N 3.11Å; E183-T187 PolarHBondContact O-N 3.11Å; E183-T187 PolarHBondContact O-OG1 2.62Å |
| 184 | E | 95.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 29% | 0.29 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 172.1 | -77.3 | 158.4 | -118.4 | 0 | 0 | 111.5 | I179 K180 S181 L186 T187 H188 | I179-E184 VanDerWaalsContact CA-OE2 3.28Å; I179-E184 WeakPolarHBondContact CA-OE2 3.31Å; I179-E184 HydrophobicContact CG2-CB 3.56Å; K180-E184 PolarHBondContact N-OE2 2.91Å; S181-E184 PolarHBondContact N-OE1 3.26Å; S181-E184 PolarHBondContact O-N 3.3Å; S181-E184 VanDerWaalsContact OG-CD 3.26Å; S181-E184 VanDerWaalsContact OG-CG 3.31Å; S181-E184 WeakPolarHBondContact OG-CG 3.25Å; S181-E184 PolarHBondContact OG-N 2.8Å; S181-E184 VanDerWaalsContact OG-N 3.16Å; S181-E184 PolarHBondContact OG-OE1 3.19Å; E184-L186 VanDerWaalsContact C-N 3.26Å; E184-L186 PolarHBondContact O-N 2.97Å; E184-T187 WeakPolarHBondContact O-CA 3.28Å; E184-T187 WeakPolarHBondContact O-CB 3.29Å; E184-T187 PolarHBondContact O-N 3.45Å; E184-H188 PolarHBondContact O-CD2 3.33Å; E184-H188 VanDerWaalsContact O-CD2 3.25Å; E184-H188 PolarHBondContact O-N 2.59Å |
| 185 | I | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.2 | -46.4 | 173.4 | -64.8 | 176.4 | 0 | 0 | 0 | 110.4 | F119 V128 F151 L170 I173 L174 I179 S181 Q182 T187 H188 F189 | F119-I185 HydrophobicContact CD1-CG2 4.46Å; F119-I185 HydrophobicContact CE1-CG2 4.21Å; V128-I185 HydrophobicContact CB-CG2 4.45Å; V128-I185 HydrophobicContact CG1-CD1 4.46Å; V128-I185 HydrophobicContact CG1-CG2 4.24Å; F151-I185 HydrophobicContact CE2-CG2 4.08Å; F151-I185 HydrophobicContact CZ-CG2 4.41Å; L170-I185 HydrophobicContact CD1-CD1 3.73Å; I173-I185 HydrophobicContact CG2-CD1 4.23Å; L174-I185 HydrophobicContact CD2-CD1 3.99Å; I179-I185 HydrophobicContact CG2-CG1 3.6Å; S181-I185 PolarHBondContact O-N 3.37Å; Q182-I185 WeakPolarHBondContact O-CB 2.87Å; Q182-I185 PolarHBondContact O-N 2.81Å; I185-T187 VanDerWaalsContact C-N 3.33Å; I185-T187 PolarHBondContact O-N 3.49Å; I185-H188 PolarHBondContact O-N 2.68Å; I185-F189 HydrophobicContact CG2-CD2 3.89Å; I185-F189 HydrophobicContact CG2-CE2 3.46Å; I185-F189 VanDerWaalsContact CG2-CE2 3.46Å; I185-F189 HydrophobicContact CG2-CZ 4.35Å; I185-F189 WeakPolarHBondContact O-CD2 3.3Å; I185-F189 PolarHBondContact O-N 2.78Å; I185-F189 VanDerWaalsContact O-N 3.07Å |
| 186 | L | 94.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 177.5 | -68.9 | 178.4 | 0 | 0 | 0 | 112.5 | R158 Q182 E183 E184 H188 F189 N190 | R158-L186 HydrophobicContact CB-CD2 3.84Å; R158-L186 HydrophobicContact CG-CD2 4.43Å; Q182-L186 WeakPolarHBondContact O-CG 3.41Å; Q182-L186 PolarHBondContact O-N 3.32Å; E183-L186 WeakPolarHBondContact O-CB 3.28Å; E183-L186 PolarHBondContact O-N 3.11Å; E184-L186 VanDerWaalsContact C-N 3.26Å; E184-L186 PolarHBondContact O-N 2.97Å; L186-H188 VanDerWaalsContact C-N 3.31Å; L186-H188 PolarHBondContact O-N 2.58Å; L186-F189 HydrophobicContact CD2-CD2 4.39Å; L186-F189 PolarHBondContact O-N 2.84Å; L186-N190 WeakPolarHBondContact O-CB 3.39Å; L186-N190 VanDerWaalsContact O-CG 3.29Å; L186-N190 PolarHBondContact O-N 2.94Å; L186-N190 PolarHBondContact O-ND2 2.92Å |
| 187 | T | 95.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 54 Ų | 54 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | E183 E184 I185 N190 S191 | E183-T187 PolarHBondContact O-N 3.11Å; E183-T187 PolarHBondContact O-OG1 2.62Å; E184-T187 WeakPolarHBondContact O-CA 3.28Å; E184-T187 WeakPolarHBondContact O-CB 3.29Å; E184-T187 PolarHBondContact O-N 3.45Å; I185-T187 VanDerWaalsContact C-N 3.33Å; I185-T187 PolarHBondContact O-N 3.49Å; T187-N190 PolarHBondContact O-N 3.4Å; T187-S191 PolarHBondContact O-N 2.91Å |
| 188 | H | 96.7 | Very high | 95.3 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 174.3 | -79.4 | -89.2 | 0 | 0 | 0 | 112.8 | F119 I179 E184 I185 L186 N190 S191 K199 | F119-H188 HydrophobicContact CD1-CB 3.66Å; F119-H188 HydrophobicContact CD2-CB 3.91Å; F119-H188 HydrophobicContact CE1-CB 3.57Å; F119-H188 HydrophobicContact CE2-CB 3.85Å; F119-H188 AromaticContact CE2-CG 3.89Å; F119-H188 AromaticContact CE2-ND1 3.86Å; F119-H188 HydrophobicContact CG-CB 3.85Å; F119-H188 HydrophobicContact CZ-CB 3.7Å; F119-H188 AromaticContact CZ-CG 3.8Å; I179-H188 WeakPolarHBondContact CD1-CD2 3.48Å; E184-H188 PolarHBondContact O-CD2 3.33Å; E184-H188 VanDerWaalsContact O-CD2 3.25Å; E184-H188 PolarHBondContact O-N 2.59Å; I185-H188 PolarHBondContact O-N 2.68Å; L186-H188 VanDerWaalsContact C-N 3.31Å; L186-H188 PolarHBondContact O-N 2.58Å; H188-N190 VanDerWaalsContact C-N 3.34Å; H188-N190 PolarHBondContact O-N 3.43Å; H188-S191 PolarHBondContact O-N 2.9Å; H188-S191 PolarHBondContact O-OG 2.8Å; H188-K199 PolarHBondContact ND1-NZ 3.03Å |
| 189 | F | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 172.9 | -73.9 | -56.7 | 0 | 0 | 0 | 113.2 | F119 Q126 T127 V128 F151 I185 L186 S191 I192 | F119-F189 HydrophobicContact CB-CD1 3.86Å; F119-F189 HydrophobicContact CB-CE1 3.78Å; F119-F189 HydrophobicContact CD1-CD1 4.42Å; F119-F189 HydrophobicContact CD1-CE1 4.22Å; F119-F189 HydrophobicContact CD1-CZ 4.28Å; Q126-F189 HydrophobicContact CB-CD1 3.87Å; Q126-F189 HydrophobicContact CB-CE1 3.68Å; Q126-F189 HydrophobicContact CB-CE2 4.38Å; Q126-F189 HydrophobicContact CB-CG 4.33Å; Q126-F189 HydrophobicContact CB-CZ 3.95Å; Q126-F189 HydrophobicContact CG-CD1 4.27Å; Q126-F189 HydrophobicContact CG-CD2 4.08Å; Q126-F189 HydrophobicContact CG-CE1 4.09Å; Q126-F189 HydrophobicContact CG-CE2 3.87Å; Q126-F189 HydrophobicContact CG-CG 4.28Å; Q126-F189 HydrophobicContact CG-CZ 3.89Å; T127-F189 WeakPolarHBondContact O-CE1 3.43Å; V128-F189 HydrophobicContact CB-CZ 4.14Å; F151-F189 AromaticContact CD2-CE2 3.87Å; F151-F189 HydrophobicContact CD2-CE2 3.87Å; F151-F189 HydrophobicContact CD2-CZ 4.28Å; F151-F189 HydrophobicContact CE2-CE2 4.18Å; I185-F189 HydrophobicContact CG2-CD2 3.89Å; I185-F189 HydrophobicContact CG2-CE2 3.46Å; I185-F189 VanDerWaalsContact CG2-CE2 3.46Å; I185-F189 HydrophobicContact CG2-CZ 4.35Å; I185-F189 WeakPolarHBondContact O-CD2 3.3Å; I185-F189 PolarHBondContact O-N 2.78Å; I185-F189 VanDerWaalsContact O-N 3.07Å; L186-F189 HydrophobicContact CD2-CD2 4.39Å; L186-F189 PolarHBondContact O-N 2.84Å; F189-S191 VanDerWaalsContact C-N 3.27Å; F189-S191 PolarHBondContact O-N 3.35Å; F189-I192 PolarHBondContact O-N 2.88Å |
| 190 | N | 95.3 | Very high | 95.7 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.1 | -32 | 177.6 | -77.8 | -25.3 | 0 | 0 | 0 | 112.5 | R158 L186 T187 H188 I192 | R158-N190 PolarHBondContact NH1-ND2 2.94Å; R158-N190 PolarHBondContact NH1-OD1 3.31Å; R158-N190 PolarHBondContact NH2-OD1 3.11Å; L186-N190 WeakPolarHBondContact O-CB 3.39Å; L186-N190 VanDerWaalsContact O-CG 3.29Å; L186-N190 PolarHBondContact O-N 2.94Å; L186-N190 PolarHBondContact O-ND2 2.92Å; T187-N190 PolarHBondContact O-N 3.4Å; H188-N190 VanDerWaalsContact C-N 3.34Å; H188-N190 PolarHBondContact O-N 3.43Å; N190-I192 PolarHBondContact O-N 3.19Å |
| 191 | S | 96.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 50 Ų | 50 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.6 | 178.2 | 72.4 | 0 | 0 | 0 | 0 | 114.5 | T187 H188 F189 K199 | T187-S191 PolarHBondContact O-N 2.91Å; H188-S191 PolarHBondContact O-N 2.9Å; H188-S191 PolarHBondContact O-OG 2.8Å; F189-S191 VanDerWaalsContact C-N 3.27Å; F189-S191 PolarHBondContact O-N 3.35Å; S191-K199 WeakPolarHBondContact OG-CD 3.24Å; S191-K199 PolarHBondContact OG-NZ 3.16Å |
| 192 | I | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -77.3 | 124.5 | 171.3 | -54.1 | 167.6 | 0 | 0 | 0 | 107.4 | T66 F119 K121 F189 N190 S194 K199 | T66-I192 HydrophobicContact CG2-CB 4.49Å; T66-I192 HydrophobicContact CG2-CG1 4.29Å; T66-I192 HydrophobicContact CG2-CG2 4.41Å; F119-I192 HydrophobicContact CB-CD1 4.31Å; K121-I192 HydrophobicContact CD-CB 4.24Å; K121-I192 HydrophobicContact CD-CD1 4.37Å; K121-I192 HydrophobicContact CD-CG2 4.28Å; K121-I192 HydrophobicContact CG-CD1 4.17Å; K121-I192 HydrophobicContact CG-CG2 4.39Å; K121-I192 PolarHBondContact NZ-O 3.41Å; F189-I192 PolarHBondContact O-N 2.88Å; N190-I192 PolarHBondContact O-N 3.19Å; I192-S194 VanDerWaalsContact C-N 3.27Å; I192-S194 PolarHBondContact O-N 3.06Å; I192-K199 HydrophobicContact CD1-CB 4.09Å; I192-K199 HydrophobicContact CG1-CB 3.78Å |
| 193 | P | 90.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -67.6 | -14.4 | -163.6 | 21.4 | -32.2 | 0 | 0 | 0 | 116.1 | W51 N68 | W51-P193 HydrophobicContact CE3-CG 4.43Å; W51-P193 HydrophobicContact CH2-CG 3.76Å; W51-P193 HydrophobicContact CZ3-CG 3.67Å; N68-P193 HydrophobicContact CB-CG 4.36Å |
| 194 | S | 90.6 | Very high | 96.3 | Very high | 46 Ų | 46 | 40.7 Ų | 40.7 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -144.8 | 46.6 | -150.3 | 57.1 | 0 | 0 | 0 | 0 | 120.8 | N68 I192 K196 | N68-S194 WeakPolarHBondContact CB-OG 3.25Å; I192-S194 VanDerWaalsContact C-N 3.27Å; I192-S194 PolarHBondContact O-N 3.06Å; S194-K196 PolarHBondContact O-N 3.04Å; S194-K196 PolarHBondContact OG-O 3.37Å |
| 195 | K | 93.5 | Very high | 96.3 | Very high | 168 Ų | 168 | 38.5 Ų | 38.5 | 73% | 0.73 | 21% | 0.206 | S | C | * | . | S | Bend | trans | 52.5 | -41.1 | -174.2 | -68.5 | -165.9 | -178.9 | -175.9 | 0 | 118.2 | K121 G123 Q153 | K121-K195 VanDerWaalsContact CD-O 3.28Å; K121-K195 WeakPolarHBondContact CD-O 3.44Å; K121-K195 VanDerWaalsContact CE-C 3.42Å; K121-K195 VanDerWaalsContact CE-N 3.34Å; K121-K195 VanDerWaalsContact CG-O 3.29Å; K121-K195 WeakPolarHBondContact CG-O 3.22Å; G123-K195 PolarHBondContact N-O 3.1Å; Q153-K195 PolarHBondContact NE2-O 2.88Å; Q153-K195 PolarHBondContact OE1-O 2.88Å |
| 196 | K | 96.2 | Very high | 96.2 | Very high | 105 Ų | 105 | 41.7 Ų | 41.7 | 46% | 0.457 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 157.5 | 168.2 | -52.2 | -165.9 | -178.7 | -176.3 | 0 | 109.7 | G69 K121 N122 S194 | G69-K196 CarbonylContact O-C 3.49Å; G69-K196 WeakPolarHBondContact O-CB 3.42Å; K121-K196 CarbonylContact O-C 3.6Å; K121-K196 WeakPolarHBondContact O-CA 3.17Å; N122-K196 WeakPolarHBondContact O-CD 3.38Å; N122-K196 WeakPolarHBondContact O-CE 3.49Å; S194-K196 PolarHBondContact O-N 3.04Å; S194-K196 PolarHBondContact OG-O 3.37Å |
| 197 | G | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D67 G69 T120 K121 | D67-G197 VanDerWaalsContact O-CA 3.24Å; D67-G197 WeakPolarHBondContact O-CA 3.21Å; G69-G197 WeakPolarHBondContact O-CA 3.42Å; G69-G197 PolarHBondContact O-N 2.67Å; G69-G197 VanDerWaalsContact O-N 3.11Å; T120-G197 WeakPolarHBondContact CA-O 3.46Å; T120-G197 PolarHBondContact OG1-O 3.23Å; K121-G197 PolarHBondContact N-O 3.34Å; K121-G197 PolarHBondContact O-N 3.13Å |
| 198 | T | 98.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 142.7 | 179.4 | -49.6 | 0 | 0 | 0 | 0 | 110.3 | T66 D67 M72 I118 F119 T120 I200 | T66-T198 CarbonylContact C-O 3.48Å; T66-T198 VanDerWaalsContact CA-O 3.28Å; T66-T198 WeakPolarHBondContact CA-O 3.32Å; D67-T198 PolarHBondContact N-O 3.33Å; D67-T198 PolarHBondContact O-N 2.9Å; D67-T198 VanDerWaalsContact O-N 3.16Å; D67-T198 VanDerWaalsContact OD2-CB 3.29Å; D67-T198 WeakPolarHBondContact OD2-CB 3.37Å; M72-T198 HydrophobicContact CE-CG2 3.91Å; I118-T198 HydrophobicContact CG2-CG2 3.66Å; F119-T198 CarbonylContact O-C 3.57Å; F119-T198 VanDerWaalsContact O-CA 3.28Å; F119-T198 WeakPolarHBondContact O-CA 3.29Å; F119-T198 WeakPolarHBondContact O-CG2 3.23Å; T120-T198 PolarHBondContact OG1-OG1 3.3Å; T120-T198 VanDerWaalsContact OG1-OG1 3.06Å; T198-I200 HydrophobicContact CG2-CG1 4.35Å |
| 199 | K | 98.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.8 | 168.1 | 174.9 | 174.4 | -171.8 | -178.5 | 0 | 108.5 | F65 T66 F119 H188 S191 I192 | F65-K199 CarbonylContact O-C 3.48Å; F65-K199 VanDerWaalsContact O-CA 3.3Å; F65-K199 WeakPolarHBondContact O-CA 3.35Å; T66-K199 HydrophobicContact CG2-CB 4.21Å; T66-K199 WeakPolarHBondContact OG1-CG 3.47Å; F119-K199 HydrophobicContact CB-CB 4.31Å; F119-K199 HydrophobicContact CD2-CB 4.41Å; F119-K199 HydrophobicContact CD2-CG 4.33Å; F119-K199 PolarHBondContact N-O 3.1Å; F119-K199 PolarHBondContact O-N 3.25Å; H188-K199 PolarHBondContact ND1-NZ 3.03Å; S191-K199 WeakPolarHBondContact OG-CD 3.24Å; S191-K199 PolarHBondContact OG-NZ 3.16Å; I192-K199 HydrophobicContact CD1-CB 4.09Å; I192-K199 HydrophobicContact CG1-CB 3.78Å |
| 200 | I | 98.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.8 | 172 | -58.4 | 163.8 | 0 | 0 | 0 | 107 | L36 T64 F65 M80 F105 L117 I118 T198 I202 | L36-I200 HydrophobicContact CD2-CD1 4.21Å; T64-I200 CarbonylContact C-O 3.47Å; T64-I200 VanDerWaalsContact CA-O 3.31Å; T64-I200 WeakPolarHBondContact CA-O 3.07Å; F65-I200 HydrophobicContact CB-CB 4.23Å; F65-I200 PolarHBondContact N-O 2.93Å; F65-I200 PolarHBondContact O-N 3.29Å; M80-I200 HydrophobicContact CE-CD1 4.4Å; F105-I200 HydrophobicContact CD2-CD1 4.06Å; F105-I200 HydrophobicContact CE2-CD1 3.84Å; F105-I200 HydrophobicContact CE2-CG1 4.24Å; F105-I200 HydrophobicContact CE2-CG2 3.92Å; L117-I200 CarbonylContact O-C 3.5Å; L117-I200 WeakPolarHBondContact O-CA 3.4Å; I118-I200 HydrophobicContact CG1-CG1 4.41Å; I118-I200 HydrophobicContact CG2-CG1 4.32Å; T198-I200 HydrophobicContact CG2-CG1 4.35Å; I200-I202 HydrophobicContact CG2-CD1 4.19Å; I200-I202 HydrophobicContact CG2-CG1 3.84Å |
| 201 | L | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 117 | 177.1 | -178.3 | 70.1 | 0 | 0 | 0 | 108.1 | I57 C62 L63 T64 A116 L117 F119 I178 | I57-L201 HydrophobicContact CD1-CD1 3.86Å; I57-L201 HydrophobicContact CD1-CD2 3.96Å; C62-L201 HydrophobicContact CB-CD1 3.62Å; C62-L201 HydrophobicContact CB-CG 4.42Å; L63-L201 WeakPolarHBondContact O-CA 3.33Å; T64-L201 HydrophobicContact CG2-CD1 3.64Å; A116-L201 CarbonylContact C-O 3.59Å; A116-L201 VanDerWaalsContact CA-O 3.25Å; A116-L201 WeakPolarHBondContact CA-O 3.48Å; L117-L201 HydrophobicContact CB-CB 4.35Å; L117-L201 PolarHBondContact N-O 2.93Å; L117-L201 PolarHBondContact O-N 3.06Å; F119-L201 HydrophobicContact CE2-CB 4.21Å; F119-L201 HydrophobicContact CE2-CD2 4.43Å; I178-L201 HydrophobicContact CD1-CD2 3.54Å; I178-L201 HydrophobicContact CD1-CG 4.11Å; I178-L201 HydrophobicContact CG1-CD2 4.33Å |
| 202 | I | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.9 | -178.4 | -55.4 | 174.8 | 0 | 0 | 0 | 108.5 | L36 C62 L63 F65 L112 D115 A116 I200 | L36-I202 HydrophobicContact CD1-CD1 3.92Å; C62-I202 CarbonylContact C-O 3.22Å; C62-I202 VanDerWaalsContact CA-O 3.26Å; C62-I202 WeakPolarHBondContact CA-O 3.45Å; L63-I202 HydrophobicContact CB-CB 4.33Å; L63-I202 PolarHBondContact N-O 3.28Å; L63-I202 PolarHBondContact O-N 2.72Å; F65-I202 HydrophobicContact CD2-CD1 4.36Å; F65-I202 HydrophobicContact CE2-CD1 4.03Å; L112-I202 HydrophobicContact CB-CD1 4.22Å; L112-I202 HydrophobicContact CB-CG2 4.25Å; L112-I202 HydrophobicContact CD1-CD1 3.97Å; D115-I202 WeakPolarHBondContact O-CA 3.47Å; A116-I202 HydrophobicContact CB-CG1 4.1Å; I200-I202 HydrophobicContact CG2-CD1 4.19Å; I200-I202 HydrophobicContact CG2-CG1 3.84Å |
| 203 | W | 98.1 | Very high | 94 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 2% | 0.023 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | -177.9 | 177.7 | 74 | 97.9 | 0 | 0 | 0 | 110.9 | Q60 C62 R114 D115 L117 L130 I178 I205 | Q60-W203 HydrophobicContact CG-CB 4.31Å; C62-W203 HydrophobicContact CB-CB 4.49Å; R114-W203 PolarHBondContact N-O 2.83Å; D115-W203 HydrophobicContact CB-CD2 3.67Å; D115-W203 HydrophobicContact CB-CE3 4.14Å; D115-W203 HydrophobicContact CB-CG 4.28Å; D115-W203 HydrophobicContact CB-CH2 3.81Å; D115-W203 HydrophobicContact CB-CZ2 3.31Å; D115-W203 HydrophobicContact CB-CZ3 4.19Å; D115-W203 PolarHBondContact N-O 3.11Å; D115-W203 PolarHBondContact O-N 2.98Å; D115-W203 PolarHBondContact OD2-NE1 3.26Å; L117-W203 HydrophobicContact CB-CH2 4.49Å; L117-W203 HydrophobicContact CB-CZ3 3.91Å; L117-W203 HydrophobicContact CD1-CH2 3.8Å; L117-W203 HydrophobicContact CD1-CZ3 3.68Å; L117-W203 HydrophobicContact CG-CH2 3.66Å; L117-W203 HydrophobicContact CG-CZ3 3.55Å; L130-W203 HydrophobicContact CD1-CH2 3.61Å; L130-W203 HydrophobicContact CD1-CZ2 4.33Å; I178-W203 HydrophobicContact CD1-CB 4.02Å; I178-W203 HydrophobicContact CD1-CD2 3.78Å; I178-W203 HydrophobicContact CD1-CE3 3.74Å; I178-W203 HydrophobicContact CD1-CG 3.93Å; I178-W203 HydrophobicContact CD1-CZ3 4.42Å; I178-W203 HydrophobicContact CG1-CD2 3.87Å; I178-W203 HydrophobicContact CG1-CE3 3.95Å; I178-W203 HydrophobicContact CG1-CG 4.3Å; I178-W203 HydrophobicContact CG1-CH2 4.47Å; I178-W203 HydrophobicContact CG1-CZ2 4.4Å; I178-W203 HydrophobicContact CG1-CZ3 4.24Å; I178-W203 VanDerWaalsContact CG2-CD1 3.49Å; I178-W203 HydrophobicContact CG2-CD2 4.01Å; I178-W203 HydrophobicContact CG2-CG 3.8Å; W203-I205 PolarHBondContact O-N 3.34Å |
| 204 | N | 96.9 | Very high | 94.1 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 51.1 | -166.1 | -74.3 | -41.4 | 0 | 0 | 0 | 110 | Q60 G113 R114 D115 | Q60-N204 VanDerWaalsContact NE2-CG 3.27Å; Q60-N204 PolarHBondContact NE2-OD1 2.99Å; G113-N204 WeakPolarHBondContact CA-O 3.41Å; R114-N204 HydrophobicContact CB-CB 3.85Å; R114-N204 HydrophobicContact CG-CB 4.26Å; R114-N204 PolarHBondContact N-O 3.25Å; D115-N204 PolarHBondContact OD2-ND2 3.02Å |
| 205 | I | 96.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 142.8 | -178.7 | -59.9 | 169.3 | 0 | 0 | 0 | 109.3 | L61 L63 L112 W203 F217 | L61-I205 HydrophobicContact CB-CD1 3.97Å; L61-I205 WeakPolarHBondContact O-CD1 3.45Å; L63-I205 HydrophobicContact CD1-CD1 4.47Å; L63-I205 HydrophobicContact CD2-CD1 4.45Å; L63-I205 HydrophobicContact CG-CD1 3.83Å; L63-I205 HydrophobicContact CG-CG1 4.3Å; L112-I205 WeakPolarHBondContact O-CA 3.15Å; W203-I205 PolarHBondContact O-N 3.34Å; I205-F217 HydrophobicContact CD1-CE2 4.49Å |
| 206 | R | 94.4 | Very high | 94.4 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | trans | -59.5 | 139.7 | 179.3 | -71.9 | -165.1 | -176.6 | -110.8 | -6.9 | 112.3 | N20 S23 M110 R111 L112 E214 | N20-R206 PolarHBondContact OD1-NH2 3.38Å; S23-R206 PolarHBondContact OG-NH2 3.3Å; M110-R206 PolarHBondContact O-NH2 3.13Å; R111-R206 WeakPolarHBondContact O-CD 3.49Å; R111-R206 WeakPolarHBondContact O-CG 3.49Å; R111-R206 PolarHBondContact O-NE 3.3Å; L112-R206 PolarHBondContact O-N 3.17Å; L112-R206 VanDerWaalsContact O-N 3.07Å; R206-E214 HydrophobicContact CB-CG 4.23Å; R206-E214 PolarHBondContact O-N 2.98Å; R206-E214 VanDerWaalsContact O-N 3.15Å | ||
| 207 | R | 92.4 | Very high | 94.4 | Very high | 149 Ų | 149 | 45.5 Ų | 45.5 | 56% | 0.562 | 22% | 0.22 | S | C | * | . | B | Isolated β-bridge | trans | -123.2 | 143.6 | 178.8 | -68 | 172 | 178.9 | -84.8 | 0 | 109.4 | G211 K212 T213 | R207-G211 WeakPolarHBondContact CD-O 3.48Å; R207-G211 PolarHBondContact NH1-O 2.91Å; R207-K212 CarbonylContact C-O 3.49Å; R207-K212 WeakPolarHBondContact CA-O 3.5Å; R207-K212 WeakPolarHBondContact CB-O 3.38Å; R207-T213 HydrophobicContact CG-CG2 4.41Å |
| 208 | A | 87.3 | Confident | 94.2 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 22% | 0.223 | 26% | 0.256 | C | S | . | . | trans | -73.1 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D210 G211 K212 | A208-D210 WeakPolarHBondContact CB-OD1 3.49Å; A208-D210 PolarHBondContact O-N 3.3Å; A208-G211 PolarHBondContact O-N 3.48Å; A208-K212 PolarHBondContact N-O 3.07Å | ||
| 209 | K | 85.9 | Confident | 94 | Very high | 223 Ų | 223 | 57 Ų | 57 | 97% | 0.97 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.1 | -177.3 | -65.2 | -176.4 | -178.2 | 175.9 | 0 | 113.4 | G211 | K209-G211 PolarHBondContact O-N 2.89Š|
| 210 | D | 87.3 | Confident | 93.8 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 1.2 | 175.5 | 68.6 | -9 | 0 | 0 | 0 | 113.2 | A208 K212 | A208-D210 WeakPolarHBondContact CB-OD1 3.49Å; A208-D210 PolarHBondContact O-N 3.3Å; D210-K212 VanDerWaalsContact C-N 3.27Å; D210-K212 PolarHBondContact O-N 2.89Å; D210-K212 WeakPolarHBondContact OD1-CB 3.16Å; D210-K212 PolarHBondContact OD1-N 3.29Å; D210-K212 WeakPolarHBondContact OD2-CD 3.36Å |
| 211 | G | 88.3 | Confident | 93.7 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 81.6 | -5.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R207 A208 K209 | R207-G211 WeakPolarHBondContact CD-O 3.48Å; R207-G211 PolarHBondContact NH1-O 2.91Å; A208-G211 PolarHBondContact O-N 3.48Å; K209-G211 PolarHBondContact O-N 2.89Å |
| 212 | K | 91.1 | Very high | 93.6 | Very high | 146 Ų | 146 | 62.6 Ų | 62.6 | 64% | 0.635 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -77.1 | 155.9 | 176.4 | -63.1 | -175.7 | -175.8 | 174.9 | 0 | 110.9 | R207 A208 D210 | R207-K212 CarbonylContact C-O 3.49Å; R207-K212 WeakPolarHBondContact CA-O 3.5Å; R207-K212 WeakPolarHBondContact CB-O 3.38Å; A208-K212 PolarHBondContact N-O 3.07Å; D210-K212 VanDerWaalsContact C-N 3.27Å; D210-K212 PolarHBondContact O-N 2.89Å; D210-K212 WeakPolarHBondContact OD1-CB 3.16Å; D210-K212 PolarHBondContact OD1-N 3.29Å; D210-K212 WeakPolarHBondContact OD2-CD 3.36Å |
| 213 | T | 93.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 62.7 Ų | 62.7 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -66.9 | 144.4 | 175.9 | 47.5 | 0 | 0 | 0 | 0 | 110.7 | L61 R207 I215 F217 | L61-T213 HydrophobicContact CD1-CG2 4.37Å; R207-T213 HydrophobicContact CG-CG2 4.41Å; T213-I215 VanDerWaalsContact CB-O 3.31Å; T213-I215 WeakPolarHBondContact CB-O 3.13Å; T213-I215 PolarHBondContact O-N 3.32Å; T213-I215 PolarHBondContact OG1-O 3.28Å; T213-F217 HydrophobicContact CG2-CE2 4.43Å |
| 214 | E | 93 | Very high | 93.5 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -67.6 | -20.7 | 176.8 | -71.3 | -177.6 | -165.2 | 0 | 0 | 113.2 | R111 R206 P227 | R111-E214 IonicContact CZ-OE2 2.95Å; R111-E214 IonicContact NH1-OE2 3.47Å; R111-E214 PolarHBondContact NH1-OE2 3.1Å; R111-E214 IonicContact NH2-OE2 2.68Å; R111-E214 PolarHBondContact NH2-OE2 2.92Å; R206-E214 HydrophobicContact CB-CG 4.23Å; R206-E214 PolarHBondContact O-N 2.98Å; R206-E214 VanDerWaalsContact O-N 3.15Å; E214-P227 WeakPolarHBondContact O-CD 3.27Å |
| 215 | I | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -108.7 | 131.4 | 173.4 | -57.7 | 172.3 | 0 | 0 | 0 | 107.1 | P29 L112 T213 F217 F224 | P29-I215 HydrophobicContact CB-CD1 4.22Å; P29-I215 HydrophobicContact CB-CG1 4.24Å; P29-I215 HydrophobicContact CG-CG1 4.36Å; L112-I215 HydrophobicContact CD2-CD1 4.16Å; T213-I215 VanDerWaalsContact CB-O 3.31Å; T213-I215 WeakPolarHBondContact CB-O 3.13Å; T213-I215 PolarHBondContact O-N 3.32Å; T213-I215 PolarHBondContact OG1-O 3.28Å; I215-F217 HydrophobicContact CB-CE1 3.93Å; I215-F217 HydrophobicContact CB-CE2 4.28Å; I215-F217 HydrophobicContact CB-CZ 3.69Å; I215-F217 HydrophobicContact CG2-CD1 3.91Å; I215-F217 HydrophobicContact CG2-CE1 3.37Å; I215-F217 HydrophobicContact CG2-CE2 4.48Å; I215-F217 HydrophobicContact CG2-CZ 3.71Å; I215-F217 WeakPolarHBondContact O-CE2 3.36Å; I215-F224 HydrophobicContact CG2-CB 3.72Å; I215-F224 HydrophobicContact CG2-CG 4.15Å |
| 216 | D | 94.9 | Very high | 93.3 | Very high | 29 Ų | 29 | 62.7 Ų | 62.7 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -88 | 125.9 | 171.9 | 173.4 | 12.4 | 0 | 0 | 0 | 109.5 | D218 T219 R225 P227 | D216-D218 PolarHBondContact OD1-N 3.4Å; D216-T219 PolarHBondContact OD1-N 3.27Å; D216-T219 VanDerWaalsContact OD1-N 3.15Å; D216-T219 WeakPolarHBondContact OD2-CB 3.4Å; D216-T219 PolarHBondContact OD2-OG1 3.47Å; D216-R225 HydrophobicContact CB-CB 4.27Å; D216-R225 PolarHBondContact N-O 3.41Å; D216-R225 PolarHBondContact O-N 3.46Å; D216-P227 HydrophobicContact CB-CG 4.3Å |
| 217 | F | 95.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | trans | -111.4 | -5.6 | -178 | -57.5 | -62.9 | 0 | 0 | 0 | 113.1 | V54 L63 I205 T213 I215 F224 | V54-F217 HydrophobicContact CB-CD1 4.08Å; V54-F217 HydrophobicContact CB-CE1 4.19Å; V54-F217 HydrophobicContact CB-CG 4.4Å; V54-F217 HydrophobicContact CG1-CB 4.02Å; V54-F217 HydrophobicContact CG1-CD1 3.73Å; V54-F217 HydrophobicContact CG1-CE1 4.34Å; V54-F217 HydrophobicContact CG1-CG 3.87Å; V54-F217 HydrophobicContact CG2-CD1 4.38Å; V54-F217 HydrophobicContact CG2-CD2 4.28Å; V54-F217 HydrophobicContact CG2-CE1 4.37Å; V54-F217 HydrophobicContact CG2-CE2 4.28Å; V54-F217 HydrophobicContact CG2-CG 4.34Å; V54-F217 HydrophobicContact CG2-CZ 4.32Å; L63-F217 HydrophobicContact CD2-CE1 3.68Å; L63-F217 HydrophobicContact CD2-CZ 3.69Å; I205-F217 HydrophobicContact CD1-CE2 4.49Å; T213-F217 HydrophobicContact CG2-CE2 4.43Å; I215-F217 HydrophobicContact CB-CE1 3.93Å; I215-F217 HydrophobicContact CB-CE2 4.28Å; I215-F217 HydrophobicContact CB-CZ 3.69Å; I215-F217 HydrophobicContact CG2-CD1 3.91Å; I215-F217 HydrophobicContact CG2-CE1 3.37Å; I215-F217 HydrophobicContact CG2-CE2 4.48Å; I215-F217 HydrophobicContact CG2-CZ 3.71Å; I215-F217 WeakPolarHBondContact O-CE2 3.36Å; F217-F224 AromaticContact CD1-CD1 3.41Å; F217-F224 HydrophobicContact CD1-CD1 3.41Å; F217-F224 VanDerWaalsContact CD1-CD1 3.41Å; F217-F224 AromaticContact CD1-CE1 3.44Å; F217-F224 HydrophobicContact CD1-CE1 3.44Å; F217-F224 VanDerWaalsContact CD1-CE1 3.44Å; F217-F224 HydrophobicContact CD1-CG 4.12Å; F217-F224 HydrophobicContact CD1-CZ 4.24Å; F217-F224 AromaticContact CE1-CD1 3.61Å; F217-F224 HydrophobicContact CE1-CD1 3.61Å; F217-F224 HydrophobicContact CE1-CD2 4.2Å; F217-F224 AromaticContact CE1-CE1 3.55Å; F217-F224 HydrophobicContact CE1-CE1 3.55Å; F217-F224 HydrophobicContact CE1-CE2 4.21Å; F217-F224 AromaticContact CE1-CG 3.94Å; F217-F224 HydrophobicContact CE1-CG 3.94Å; F217-F224 AromaticContact CE1-CZ 3.9Å; F217-F224 HydrophobicContact CE1-CZ 3.9Å | ||
| 218 | D | 94.3 | Very high | 92.3 | Very high | 142 Ų | 142 | 62 Ų | 62 | 76% | 0.759 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -109.2 | -38.1 | -163.2 | -60.4 | -48.7 | 0 | 0 | 0 | 111.8 | D216 D220 | D216-D218 PolarHBondContact OD1-N 3.4Å; D218-D220 VanDerWaalsContact C-N 3.29Å; D218-D220 PolarHBondContact O-N 3.13Å |
| 219 | T | 93.8 | Very high | 91.7 | Very high | 107 Ų | 107 | 66 Ų | 66 | 66% | 0.656 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -60.4 | -37.1 | -178.1 | -62.2 | 0 | 0 | 0 | 0 | 113 | D216 | D216-T219 PolarHBondContact OD1-N 3.27Å; D216-T219 VanDerWaalsContact OD1-N 3.15Å; D216-T219 WeakPolarHBondContact OD2-CB 3.4Å; D216-T219 PolarHBondContact OD2-OG1 3.47Å |
| 220 | D | 95.7 | Very high | 91.1 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | trans | -132.5 | 108.8 | 173 | -177.9 | -16.2 | 0 | 0 | 0 | 108.3 | D218 T222 D223 | D218-D220 VanDerWaalsContact C-N 3.29Å; D218-D220 PolarHBondContact O-N 3.13Å; D220-T222 PolarHBondContact O-N 2.91Å; D220-T222 WeakPolarHBondContact OD1-CA 3.36Å; D220-T222 WeakPolarHBondContact OD1-CB 3.32Å; D220-T222 PolarHBondContact OD1-N 3.5Å; D220-T222 PolarHBondContact OD1-OG1 3.45Å; D220-D223 HydrophobicContact CB-CB 4Å; D220-D223 PolarHBondContact O-N 3.29Å; D220-D223 VanDerWaalsContact O-O 3.14Å | ||
| 221 | S | 96.2 | Very high | 90.3 | Very high | 83 Ų | 83 | 55.9 Ų | 55.9 | 58% | 0.58 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -14.6 | -178.8 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | R275 | S221-R275 VanDerWaalsContact O-CB 3.3Å; S221-R275 WeakPolarHBondContact O-CB 3.15Å; S221-R275 PolarHBondContact O-NE 2.99Å |
| 222 | T | 96.6 | Very high | 89.7 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 1.6 | -179.2 | 77.2 | 0 | 0 | 0 | 0 | 113.4 | D220 R258 K277 | D220-T222 PolarHBondContact O-N 2.91Å; D220-T222 WeakPolarHBondContact OD1-CA 3.36Å; D220-T222 WeakPolarHBondContact OD1-CB 3.32Å; D220-T222 PolarHBondContact OD1-N 3.5Å; D220-T222 PolarHBondContact OD1-OG1 3.45Å; T222-R258 VanDerWaalsContact O-CZ 3.31Å; T222-R258 PolarHBondContact O-NE 3.08Å; T222-R258 VanDerWaalsContact O-NE 3.12Å; T222-R258 PolarHBondContact O-NH2 3.25Å; T222-K277 HydrophobicContact CG2-CD 3.56Å; T222-K277 HydrophobicContact CG2-CG 4.31Å |
| 223 | D | 98.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | trans | -137.1 | 164.8 | -174.1 | -160.2 | 9.7 | 0 | 0 | 0 | 112.2 | D220 R225 S256 L257 R258 L274 | D220-D223 HydrophobicContact CB-CB 4Å; D220-D223 PolarHBondContact O-N 3.29Å; D220-D223 VanDerWaalsContact O-O 3.14Å; D223-R225 HydrophobicContact CB-CG 4.11Å; D223-R225 IonicContact OD2-NH1 2.65Å; D223-S256 WeakPolarHBondContact OD2-CA 3.2Å; D223-S256 WeakPolarHBondContact OD2-CB 3.34Å; D223-S256 PolarHBondContact OD2-OG 2.72Å; D223-L257 PolarHBondContact OD1-N 3Å; D223-R258 VanDerWaalsContact OD1-CB 3.27Å; D223-R258 WeakPolarHBondContact OD1-CB 3.22Å; D223-R258 PolarHBondContact OD1-N 3.12Å; D223-L274 WeakPolarHBondContact OD1-CD2 3.23Å | ||
| 224 | F | 97.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -108 | 120 | 161.6 | -70.5 | -8 | 0 | 0 | 0 | 107.1 | F30 I52 V54 L63 I215 F217 L257 L274 R275 | F30-F224 HydrophobicContact CE1-CB 4.5Å; F30-F224 VanDerWaalsContact CZ-O 3.25Å; F30-F224 WeakPolarHBondContact CZ-O 3.38Å; I52-F224 HydrophobicContact CG2-CD2 4.41Å; I52-F224 HydrophobicContact CG2-CE2 3.6Å; I52-F224 HydrophobicContact CG2-CZ 4.14Å; V54-F224 HydrophobicContact CB-CE1 4.07Å; V54-F224 HydrophobicContact CB-CZ 4.14Å; V54-F224 HydrophobicContact CG1-CE1 3.92Å; V54-F224 HydrophobicContact CG1-CZ 4.48Å; L63-F224 HydrophobicContact CD2-CE2 3.63Å; L63-F224 HydrophobicContact CD2-CZ 3.61Å; I215-F224 HydrophobicContact CG2-CB 3.72Å; I215-F224 HydrophobicContact CG2-CG 4.15Å; F217-F224 AromaticContact CD1-CD1 3.41Å; F217-F224 HydrophobicContact CD1-CD1 3.41Å; F217-F224 VanDerWaalsContact CD1-CD1 3.41Å; F217-F224 AromaticContact CD1-CE1 3.44Å; F217-F224 HydrophobicContact CD1-CE1 3.44Å; F217-F224 VanDerWaalsContact CD1-CE1 3.44Å; F217-F224 HydrophobicContact CD1-CG 4.12Å; F217-F224 HydrophobicContact CD1-CZ 4.24Å; F217-F224 AromaticContact CE1-CD1 3.61Å; F217-F224 HydrophobicContact CE1-CD1 3.61Å; F217-F224 HydrophobicContact CE1-CD2 4.2Å; F217-F224 AromaticContact CE1-CE1 3.55Å; F217-F224 HydrophobicContact CE1-CE1 3.55Å; F217-F224 HydrophobicContact CE1-CE2 4.21Å; F217-F224 AromaticContact CE1-CG 3.94Å; F217-F224 HydrophobicContact CE1-CG 3.94Å; F217-F224 AromaticContact CE1-CZ 3.9Å; F217-F224 HydrophobicContact CE1-CZ 3.9Å; F224-L257 HydrophobicContact CB-CB 3.84Å; F224-L257 HydrophobicContact CB-CD2 3.79Å; F224-L257 HydrophobicContact CB-CG 4.47Å; F224-L257 HydrophobicContact CD2-CD2 3.47Å; F224-L257 VanDerWaalsContact CD2-CD2 3.47Å; F224-L257 HydrophobicContact CE2-CD2 4.38Å; F224-L257 HydrophobicContact CG-CD2 3.97Å; F224-L257 VanDerWaalsContact O-CB 3.25Å; F224-L257 WeakPolarHBondContact O-CB 3.34Å; F224-L257 PolarHBondContact O-N 3.11Å; F224-L274 HydrophobicContact CD1-CD1 4.14Å; F224-L274 HydrophobicContact CD2-CD1 3.99Å; F224-L274 HydrophobicContact CE1-CD1 4.25Å; F224-L274 HydrophobicContact CE2-CD1 4.04Å; F224-L274 HydrophobicContact CG-CD1 4.02Å; F224-L274 HydrophobicContact CZ-CD1 4.18Å; F224-R275 HydrophobicContact CD1-CG 4.24Å; F224-R275 HydrophobicContact CE1-CG 4.07Å | ||
| 225 | R | 95.8 | Very high | 87.8 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -114.4 | 156.9 | -174 | -61.2 | -176.3 | 70.2 | 93.1 | -8.1 | 112 | D216 D223 Y255 | D216-R225 HydrophobicContact CB-CB 4.27Å; D216-R225 PolarHBondContact N-O 3.41Å; D216-R225 PolarHBondContact O-N 3.46Å; D223-R225 HydrophobicContact CB-CG 4.11Å; D223-R225 IonicContact OD2-NH1 2.65Å; R225-Y255 CarbonylContact C-O 3.49Å; R225-Y255 WeakPolarHBondContact CA-O 3.17Å |
| 226 | L | 92.3 | Very high | 86.9 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | trans | -82.7 | 135 | 163.8 | -69.2 | -172.2 | 0 | 0 | 0 | 109.7 | P29 F30 L234 Y254 Y255 | P29-L226 HydrophobicContact CG-CD2 3.6Å; F30-L226 HydrophobicContact CE1-CD2 4.32Å; F30-L226 HydrophobicContact CE2-CG 4.39Å; F30-L226 HydrophobicContact CZ-CD2 4.26Å; F30-L226 HydrophobicContact CZ-CG 4.06Å; L226-L234 HydrophobicContact CD1-CD1 4.41Å; L226-Y254 WeakPolarHBondContact CD1-O 3.49Å; L226-Y255 PolarHBondContact N-O 3.11Å | ||
| 227 | P | 86.9 | Confident | 86.1 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | trans | -57.9 | 151.2 | 169.7 | -22.6 | 31.8 | 0 | 0 | 0 | 112.2 | E214 D216 I229 H230 F231 | E214-P227 WeakPolarHBondContact O-CD 3.27Å; D216-P227 HydrophobicContact CB-CG 4.3Å; P227-I229 VanDerWaalsContact C-N 3.25Å; P227-I229 PolarHBondContact O-N 3.3Å; P227-I229 VanDerWaalsContact O-N 3.15Å; P227-H230 PolarHBondContact O-N 2.82Å; P227-H230 VanDerWaalsContact O-N 3.13Å; P227-F231 PolarHBondContact O-N 3.46Å; P227-F231 VanDerWaalsContact O-N 3.14Å | ||
| 228 | E | 79.1 | Confident | 85.3 | Confident | 169 Ų | 169 | 65.4 Ų | 65.4 | 79% | 0.79 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -54.7 | -35.8 | -176.5 | -68.3 | -175.7 | 168.4 | 0 | 0 | 114.2 | H230 F231 E232 | E228-H230 PolarHBondContact O-N 2.95Å; E228-F231 WeakPolarHBondContact O-CB 3.17Å; E228-F231 PolarHBondContact O-N 2.94Å; E228-E232 PolarHBondContact O-N 2.85Å; E228-E232 VanDerWaalsContact O-N 3.09Å |
| 229 | I | 74.1 | Confident | 84.6 | Confident | 111 Ų | 111 | 63.4 Ų | 63.4 | 57% | 0.569 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.7 | -46.9 | 179.9 | -63.4 | 168.6 | 0 | 0 | 0 | 110.9 | P227 F231 E232 E233 | P227-I229 VanDerWaalsContact C-N 3.25Å; P227-I229 PolarHBondContact O-N 3.3Å; P227-I229 VanDerWaalsContact O-N 3.15Å; I229-F231 VanDerWaalsContact C-N 3.27Å; I229-F231 PolarHBondContact O-N 3.02Å; I229-E232 PolarHBondContact O-N 3.08Å; I229-E233 PolarHBondContact O-N 3.46Å |
| 230 | H | 73.8 | Confident | 83.7 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.8 | -28.8 | 177.9 | -62.8 | 127.2 | 0 | 0 | 0 | 112 | P227 E228 L234 | P227-H230 PolarHBondContact O-N 2.82Å; P227-H230 VanDerWaalsContact O-N 3.13Å; E228-H230 PolarHBondContact O-N 2.95Å; H230-L234 VanDerWaalsContact O-CB 3.29Å; H230-L234 WeakPolarHBondContact O-CB 3.49Å; H230-L234 PolarHBondContact O-N 3.36Å; H230-L234 VanDerWaalsContact O-N 3.09Å |
| 231 | F | 70.3 | Confident | 82.5 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 22% | 0.219 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.8 | 165.8 | -88.1 | 0 | 0 | 0 | 112 | P227 E228 I229 L234 K235 I250 Y255 | P227-F231 PolarHBondContact O-N 3.46Å; P227-F231 VanDerWaalsContact O-N 3.14Å; E228-F231 WeakPolarHBondContact O-CB 3.17Å; E228-F231 PolarHBondContact O-N 2.94Å; I229-F231 VanDerWaalsContact C-N 3.27Å; I229-F231 PolarHBondContact O-N 3.02Å; F231-L234 PolarHBondContact O-N 3.17Å; F231-K235 HydrophobicContact CE1-CD 4.3Å; F231-K235 VanDerWaalsContact O-CB 3.31Å; F231-K235 WeakPolarHBondContact O-CB 3.44Å; F231-K235 PolarHBondContact O-N 2.92Å; F231-I250 HydrophobicContact CD2-CG2 3.86Å; F231-I250 HydrophobicContact CE1-CG2 4.5Å; F231-I250 HydrophobicContact CE2-CG2 3.03Å; F231-I250 HydrophobicContact CZ-CG2 3.42Å; F231-I250 VanDerWaalsContact CZ-CG2 3.42Å; F231-Y255 AromaticContact CD2-CD1 3.66Å; F231-Y255 HydrophobicContact CD2-CD1 3.66Å; F231-Y255 HydrophobicContact CD2-CE1 4.42Å; F231-Y255 AromaticContact CD2-CG 3.93Å; F231-Y255 HydrophobicContact CD2-CG 3.93Å; F231-Y255 AromaticContact CE2-CD1 3.48Å; F231-Y255 HydrophobicContact CE2-CD1 3.48Å; F231-Y255 VanDerWaalsContact CE2-CD1 3.48Å; F231-Y255 AromaticContact CE2-CE1 3.8Å; F231-Y255 HydrophobicContact CE2-CE1 3.8Å; F231-Y255 HydrophobicContact CE2-CG 4.12Å |
| 232 | E | 75.9 | Confident | 81.1 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.8 | -39.8 | 179 | -74.1 | -58.9 | 142.9 | 0 | 0 | 112.7 | E228 I229 L234 K235 Q236 | E228-E232 PolarHBondContact O-N 2.85Å; E228-E232 VanDerWaalsContact O-N 3.09Å; I229-E232 PolarHBondContact O-N 3.08Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.39Å; E232-K235 PolarHBondContact O-N 2.68Å; E232-K235 IonicContact OE1-NZ 2.95Å; E232-K235 PolarHBondContact OE1-NZ 3.05Å; E232-K235 IonicContact OE2-NZ 3.39Å; E232-Q236 PolarHBondContact O-N 2.65Å |
| 233 | E | 79.3 | Confident | 80 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 58% | 0.584 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.1 | -45.2 | 173.4 | -70.7 | 179.9 | 174.1 | 0 | 0 | 111.6 | I229 Q236 G237 | I229-E233 PolarHBondContact O-N 3.46Å; E233-Q236 PolarHBondContact O-N 2.83Å; E233-G237 PolarHBondContact O-N 3.46Å |
| 234 | L | 78.8 | Confident | 78.9 | Confident | 44 Ų | 44 | 66 Ų | 66 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 180 | -167 | 149.2 | 0 | 0 | 0 | 111.2 | L226 H230 F231 E232 Q236 G237 L238 I250 Y254 | L226-L234 HydrophobicContact CD1-CD1 4.41Å; H230-L234 VanDerWaalsContact O-CB 3.29Å; H230-L234 WeakPolarHBondContact O-CB 3.49Å; H230-L234 PolarHBondContact O-N 3.36Å; H230-L234 VanDerWaalsContact O-N 3.09Å; F231-L234 PolarHBondContact O-N 3.17Å; E232-L234 VanDerWaalsContact C-N 3.33Å; E232-L234 PolarHBondContact O-N 3.39Å; L234-Q236 VanDerWaalsContact C-N 3.33Å; L234-Q236 PolarHBondContact O-N 3.42Å; L234-G237 PolarHBondContact O-N 3.49Å; L234-L238 HydrophobicContact CD2-CD1 3.59Å; L234-L238 HydrophobicContact CD2-CG 4.05Å; L234-L238 WeakPolarHBondContact O-CG 3.31Å; L234-L238 PolarHBondContact O-N 3.31Å; L234-I250 HydrophobicContact CD2-CD1 3.15Å; L234-Y254 HydrophobicContact CD2-CD1 3.73Å; L234-Y254 HydrophobicContact CD2-CE1 4.47Å; L234-Y254 HydrophobicContact CD2-CG 3.93Å |
| 235 | K | 78.9 | Confident | 77.6 | Confident | 33 Ų | 33 | 69 Ų | 69 | 14% | 0.143 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 174 | -175.9 | 179.4 | 176.4 | -173.7 | 0 | 111.8 | F231 E232 L238 R239 L244 | F231-K235 HydrophobicContact CE1-CD 4.3Å; F231-K235 VanDerWaalsContact O-CB 3.31Å; F231-K235 WeakPolarHBondContact O-CB 3.44Å; F231-K235 PolarHBondContact O-N 2.92Å; E232-K235 PolarHBondContact O-N 2.68Å; E232-K235 IonicContact OE1-NZ 2.95Å; E232-K235 PolarHBondContact OE1-NZ 3.05Å; E232-K235 IonicContact OE2-NZ 3.39Å; K235-L238 PolarHBondContact O-N 3.42Å; K235-R239 WeakPolarHBondContact O-CG 3.47Å; K235-R239 PolarHBondContact O-N 2.9Å; K235-R239 VanDerWaalsContact O-N 3.08Å; K235-L244 HydrophobicContact CG-CD2 4.01Å |
| 236 | Q | 77.6 | Confident | 76.3 | Confident | 125 Ų | 125 | 70.9 Ų | 70.9 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.9 | -42.9 | 175.6 | -166.5 | 172.1 | 36.2 | 0 | 0 | 111.5 | E232 E233 L234 L238 R239 N240 | E232-Q236 PolarHBondContact O-N 2.65Å; E233-Q236 PolarHBondContact O-N 2.83Å; L234-Q236 VanDerWaalsContact C-N 3.33Å; L234-Q236 PolarHBondContact O-N 3.42Å; Q236-L238 PolarHBondContact O-N 2.94Å; Q236-R239 PolarHBondContact O-N 3.26Å; Q236-R239 VanDerWaalsContact O-N 3.17Å; Q236-N240 PolarHBondContact O-N 3.17Å; Q236-N240 PolarHBondContact O-OD1 3.08Å |
| 237 | G | 78.2 | Confident | 75.1 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 36% | 0.361 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E233 L234 R239 N240 N241 | E233-G237 PolarHBondContact O-N 3.46Å; L234-G237 PolarHBondContact O-N 3.49Å; G237-R239 VanDerWaalsContact C-N 3.28Å; G237-R239 PolarHBondContact O-N 3.18Å; G237-N240 PolarHBondContact O-N 2.93Å; G237-N241 PolarHBondContact O-N 3.46Å; G237-N241 VanDerWaalsContact O-N 3.13Å; G237-N241 PolarHBondContact O-OD1 3.13Å |
| 238 | L | 78 | Confident | 74.4 | Confident | 19 Ų | 19 | 78 Ų | 78 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.6 | -26.4 | 176.3 | -68.7 | 177 | 0 | 0 | 0 | 113.3 | L234 K235 Q236 N241 S243 L244 I250 Y254 | L234-L238 HydrophobicContact CD2-CD1 3.59Å; L234-L238 HydrophobicContact CD2-CG 4.05Å; L234-L238 WeakPolarHBondContact O-CG 3.31Å; L234-L238 PolarHBondContact O-N 3.31Å; K235-L238 PolarHBondContact O-N 3.42Å; Q236-L238 PolarHBondContact O-N 2.94Å; L238-N241 VanDerWaalsContact C-OD1 3.26Å; L238-N241 WeakPolarHBondContact CA-OD1 3.44Å; L238-N241 PolarHBondContact O-OD1 3.29Å; L238-S243 PolarHBondContact O-N 2.97Å; L238-L244 HydrophobicContact CB-CB 3.73Å; L238-L244 HydrophobicContact CB-CD2 4.38Å; L238-L244 PolarHBondContact O-N 3.24Å; L238-I250 HydrophobicContact CD1-CD1 3.48Å; L238-I250 VanDerWaalsContact CD1-CD1 3.48Å; L238-I250 HydrophobicContact CD1-CG1 3.78Å; L238-Y254 HydrophobicContact CD1-CD1 4.36Å; L238-Y254 HydrophobicContact CD1-CD2 4.22Å; L238-Y254 HydrophobicContact CD1-CE1 4.15Å; L238-Y254 HydrophobicContact CD1-CE2 4.01Å; L238-Y254 HydrophobicContact CD1-CG 4.39Å; L238-Y254 HydrophobicContact CD2-CE1 4.33Å |
| 239 | R | 79.7 | Confident | 74.4 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 38% | 0.377 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.7 | -44.7 | 172.5 | -75.3 | 173.6 | 173.6 | -175.9 | -1.8 | 110.8 | K235 Q236 G237 N241 G242 L244 P246 | K235-R239 WeakPolarHBondContact O-CG 3.47Å; K235-R239 PolarHBondContact O-N 2.9Å; K235-R239 VanDerWaalsContact O-N 3.08Å; Q236-R239 PolarHBondContact O-N 3.26Å; Q236-R239 VanDerWaalsContact O-N 3.17Å; G237-R239 VanDerWaalsContact C-N 3.28Å; G237-R239 PolarHBondContact O-N 3.18Å; R239-N241 VanDerWaalsContact C-N 3.3Å; R239-N241 PolarHBondContact O-N 2.84Å; R239-G242 PolarHBondContact O-N 3.44Å; R239-G242 VanDerWaalsContact O-N 3.11Å; R239-L244 HydrophobicContact CG-CB 4.4Å; R239-L244 HydrophobicContact CG-CD2 4.42Å; R239-P246 PolarHBondContact NH2-O 2.77Å |
| 240 | N | 75.7 | Confident | 74.8 | Confident | 134 Ų | 134 | 69.4 Ų | 69.4 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.1 | -33.9 | -178.1 | -69.7 | -9.8 | 0 | 0 | 0 | 113 | Q236 G237 | Q236-N240 PolarHBondContact O-N 3.17Å; Q236-N240 PolarHBondContact O-OD1 3.08Å; G237-N240 PolarHBondContact O-N 2.93Å |
| 241 | N | 69.6 | Low | 75.5 | Confident | 103 Ų | 103 | 67.4 Ų | 67.4 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 2.2 | 177.8 | 74.1 | 2.9 | 0 | 0 | 0 | 114 | G237 L238 R239 S243 | G237-N241 PolarHBondContact O-N 3.46Å; G237-N241 VanDerWaalsContact O-N 3.13Å; G237-N241 PolarHBondContact O-OD1 3.13Å; L238-N241 VanDerWaalsContact C-OD1 3.26Å; L238-N241 WeakPolarHBondContact CA-OD1 3.44Å; L238-N241 PolarHBondContact O-OD1 3.29Å; R239-N241 VanDerWaalsContact C-N 3.3Å; R239-N241 PolarHBondContact O-N 2.84Å; N241-S243 VanDerWaalsContact C-N 3.29Å; N241-S243 PolarHBondContact ND2-OG 3.27Å; N241-S243 PolarHBondContact O-N 3.38Å; N241-S243 WeakPolarHBondContact OD1-CB 3.42Å; N241-S243 PolarHBondContact OD1-N 2.84Å; N241-S243 PolarHBondContact OD1-OG 3.34Å |
| 242 | G | 67.8 | Low | 76.5 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 4.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R239 L244 | R239-G242 PolarHBondContact O-N 3.44Å; R239-G242 VanDerWaalsContact O-N 3.11Å; G242-L244 VanDerWaalsContact C-N 3.35Å |
| 243 | S | 72 | Confident | 77.3 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -72.5 | -26.9 | 177.6 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | L238 N241 K335 | L238-S243 PolarHBondContact O-N 2.97Å; N241-S243 VanDerWaalsContact C-N 3.29Å; N241-S243 PolarHBondContact ND2-OG 3.27Å; N241-S243 PolarHBondContact O-N 3.38Å; N241-S243 WeakPolarHBondContact OD1-CB 3.42Å; N241-S243 PolarHBondContact OD1-N 2.84Å; N241-S243 PolarHBondContact OD1-OG 3.34Å; S243-K335 VanDerWaalsContact O-CE 3.25Å; S243-K335 WeakPolarHBondContact O-CE 3.3Å |
| 244 | L | 75.8 | Confident | 77.8 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -126.2 | 128.4 | 179.9 | -170.1 | 70.1 | 0 | 0 | 0 | 111 | K235 L238 R239 G242 Q248 I250 | K235-L244 HydrophobicContact CG-CD2 4.01Å; L238-L244 HydrophobicContact CB-CB 3.73Å; L238-L244 HydrophobicContact CB-CD2 4.38Å; L238-L244 PolarHBondContact O-N 3.24Å; R239-L244 HydrophobicContact CG-CB 4.4Å; R239-L244 HydrophobicContact CG-CD2 4.42Å; G242-L244 VanDerWaalsContact C-N 3.35Å; L244-Q248 HydrophobicContact CD1-CB 3.58Å; L244-Q248 HydrophobicContact CG-CB 4.2Å; L244-I250 HydrophobicContact CD2-CB 4.11Å |
| 245 | R | 70.9 | Confident | 78.5 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | trans | -76 | 152.8 | 175.1 | -62 | -173.4 | 178 | -165.9 | -3.6 | 110.8 | E247 Q248 Y319 Q339 K341 | R245-E247 PolarHBondContact O-N 2.86Å; R245-Q248 HydrophobicContact CB-CB 4.49Å; R245-Q248 HydrophobicContact CB-CG 4.06Å; R245-Q248 PolarHBondContact O-N 2.98Å; R245-Y319 PolarHBondContact NE-OH 3.16Å; R245-Q339 PolarHBondContact NH2-O 3.2Å; R245-K341 PolarHBondContact NH2-O 3.43Å | ||
| 246 | P | 67.7 | Low | 79.3 | Confident | 100 Ų | 100 | 58.2 Ų | 58.2 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37.9 | 179.9 | -27.9 | 35.5 | 0 | 0 | 0 | 113.9 | R239 Q248 | R239-P246 PolarHBondContact NH2-O 2.77Å; P246-Q248 VanDerWaalsContact C-N 3.32Å; P246-Q248 PolarHBondContact O-N 3.45Å |
| 247 | E | 67.9 | Low | 80.3 | Confident | 181 Ų | 181 | 52.2 Ų | 52.2 | 85% | 0.846 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -8.1 | -178.9 | -62 | 168 | -164.3 | 0 | 0 | 114.1 | R245 | R245-E247 PolarHBondContact O-N 2.86Š|
| 248 | Q | 70.8 | Confident | 81.2 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -92.8 | 138.7 | -175.4 | -75 | 171.1 | -2.5 | 0 | 0 | 112.1 | L244 R245 P246 E317 Y319 | L244-Q248 HydrophobicContact CD1-CB 3.58Å; L244-Q248 HydrophobicContact CG-CB 4.2Å; R245-Q248 HydrophobicContact CB-CB 4.49Å; R245-Q248 HydrophobicContact CB-CG 4.06Å; R245-Q248 PolarHBondContact O-N 2.98Å; P246-Q248 VanDerWaalsContact C-N 3.32Å; P246-Q248 PolarHBondContact O-N 3.45Å; Q248-E317 HydrophobicContact CG-CB 4.34Å; Q248-Y319 PolarHBondContact NE2-OH 3.03Å; Q248-Y319 VanDerWaalsContact NE2-OH 3.1Å |
| 249 | N | 79.6 | Confident | 82.1 | Confident | 96 Ų | 96 | 53 Ų | 53 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 146.4 | 163.4 | -66.7 | -48.3 | 0 | 0 | 0 | 110.3 | E317 | N249-E317 PolarHBondContact N-OE2 3.47Å; N249-E317 PolarHBondContact ND2-OE2 2.97Å |
| 250 | I | 83.1 | Confident | 83 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 135.3 | 174.8 | -173.8 | 176.5 | 0 | 0 | 0 | 109.9 | F231 L234 L238 L244 Y254 Y255 | F231-I250 HydrophobicContact CD2-CG2 3.86Å; F231-I250 HydrophobicContact CE1-CG2 4.5Å; F231-I250 HydrophobicContact CE2-CG2 3.03Å; F231-I250 HydrophobicContact CZ-CG2 3.42Å; F231-I250 VanDerWaalsContact CZ-CG2 3.42Å; L234-I250 HydrophobicContact CD2-CD1 3.15Å; L238-I250 HydrophobicContact CD1-CD1 3.48Å; L238-I250 VanDerWaalsContact CD1-CD1 3.48Å; L238-I250 HydrophobicContact CD1-CG1 3.78Å; L244-I250 HydrophobicContact CD2-CB 4.11Å; I250-Y254 VanDerWaalsContact CD1-CB 3.47Å; I250-Y254 HydrophobicContact CD1-CD2 3.82Å; I250-Y254 HydrophobicContact CD1-CG 3.7Å; I250-Y254 HydrophobicContact CG1-CD2 3.49Å; I250-Y254 VanDerWaalsContact CG1-CD2 3.49Å; I250-Y254 HydrophobicContact CG1-CE2 4.28Å; I250-Y254 HydrophobicContact CG1-CG 3.91Å; I250-Y255 HydrophobicContact CG2-CD1 4.11Å; I250-Y255 HydrophobicContact CG2-CE1 4.14Å |
| 251 | P | 88.1 | Confident | 84 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 140.3 | 177.4 | -27.9 | 34.9 | 0 | 0 | 0 | 114 | M253 Y254 Y333 | P251-M253 HydrophobicContact CB-CG 4.06Å; P251-M253 PolarHBondContact O-N 2.89Å; P251-Y254 HydrophobicContact CB-CD2 3.97Å; P251-Y254 HydrophobicContact CB-CE2 4.12Å; P251-Y254 HydrophobicContact CG-CD2 4.21Å; P251-Y254 HydrophobicContact CG-CE2 3.99Å; P251-Y254 WeakPolarHBondContact O-CD2 3.41Å; P251-Y254 PolarHBondContact O-N 3.43Å; P251-Y333 HydrophobicContact CB-CD2 4Å; P251-Y333 HydrophobicContact CB-CE2 3.57Å; P251-Y333 HydrophobicContact CG-CD2 3.69Å; P251-Y333 HydrophobicContact CG-CE2 3.75Å; P251-Y333 HydrophobicContact CG-CG 4.36Å |
| 252 | D | 91 | Very high | 85.3 | Confident | 51 Ų | 51 | 37.9 Ų | 37.9 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -50.4 | -33.6 | -178.2 | -50.3 | -10.3 | 0 | 0 | 0 | 113.3 | Y254 Y255 S256 A259 K315 H318 | D252-Y254 PolarHBondContact O-N 2.8Å; D252-Y255 VanDerWaalsContact CA-CE1 3.45Å; D252-Y255 HydrophobicContact CB-CE1 4.44Å; D252-Y255 PolarHBondContact O-N 2.84Å; D252-Y255 VanDerWaalsContact O-N 3.16Å; D252-Y255 PolarHBondContact OD1-OH 3.23Å; D252-S256 WeakPolarHBondContact O-CB 3.47Å; D252-S256 PolarHBondContact O-N 3.02Å; D252-A259 HydrophobicContact CB-CB 3.69Å; D252-K315 IonicContact OD1-NZ 3.46Å; D252-K315 PolarHBondContact OD1-NZ 3.31Å; D252-K315 IonicContact OD2-NZ 3.84Å; D252-K315 PolarHBondContact OD2-NZ 2.91Å; D252-H318 IonicContact OD1-CE1 3.97Å |
| 253 | M | 92.6 | Very high | 86.7 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -56.8 | -24.4 | 179.4 | 67 | 164.8 | -77.5 | 0 | 0 | 114.2 | W28 P251 Y260 I263 L329 A332 Y333 | W28-M253 HydrophobicContact CH2-CE 4.24Å; W28-M253 WeakPolarHBondContact CH2-O 3.38Å; W28-M253 WeakPolarHBondContact CZ2-O 3.31Å; P251-M253 HydrophobicContact CB-CG 4.06Å; P251-M253 PolarHBondContact O-N 2.89Å; M253-Y260 HydrophobicContact CE-CD2 3.8Å; M253-Y260 HydrophobicContact CE-CE2 4.11Å; M253-Y260 WeakPolarHBondContact O-CB 3.46Å; M253-I263 HydrophobicContact CB-CD1 4.1Å; M253-I263 HydrophobicContact CG-CD1 4.4Å; M253-I263 HydrophobicContact SD-CD1 3.68Å; M253-L329 HydrophobicContact CE-CD2 4.47Å; M253-A332 HydrophobicContact CE-CB 3.86Å; M253-A332 HydrophobicContact SD-CB 3.46Å; M253-A332 WeakPolarHBondContact SD-CB 3.45Å; M253-Y333 HydrophobicContact CG-CE2 4.12Å; M253-Y333 HydrophobicContact SD-CD2 4.01Å; M253-Y333 HydrophobicContact SD-CE2 3.61Å |
| 254 | Y | 90.6 | Very high | 87.9 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 14% | 0.141 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -77.4 | -25.9 | -177.2 | -73.6 | -76.3 | 0 | 0 | 0 | 112.9 | W28 L226 L234 L238 I250 P251 D252 | W28-Y254 PolarHBondContact NE1-O 3.34Å; L226-Y254 WeakPolarHBondContact CD1-O 3.49Å; L234-Y254 HydrophobicContact CD2-CD1 3.73Å; L234-Y254 HydrophobicContact CD2-CE1 4.47Å; L234-Y254 HydrophobicContact CD2-CG 3.93Å; L238-Y254 HydrophobicContact CD1-CD1 4.36Å; L238-Y254 HydrophobicContact CD1-CD2 4.22Å; L238-Y254 HydrophobicContact CD1-CE1 4.15Å; L238-Y254 HydrophobicContact CD1-CE2 4.01Å; L238-Y254 HydrophobicContact CD1-CG 4.39Å; L238-Y254 HydrophobicContact CD2-CE1 4.33Å; I250-Y254 VanDerWaalsContact CD1-CB 3.47Å; I250-Y254 HydrophobicContact CD1-CD2 3.82Å; I250-Y254 HydrophobicContact CD1-CG 3.7Å; I250-Y254 HydrophobicContact CG1-CD2 3.49Å; I250-Y254 VanDerWaalsContact CG1-CD2 3.49Å; I250-Y254 HydrophobicContact CG1-CE2 4.28Å; I250-Y254 HydrophobicContact CG1-CG 3.91Å; P251-Y254 HydrophobicContact CB-CD2 3.97Å; P251-Y254 HydrophobicContact CB-CE2 4.12Å; P251-Y254 HydrophobicContact CG-CD2 4.21Å; P251-Y254 HydrophobicContact CG-CE2 3.99Å; P251-Y254 WeakPolarHBondContact O-CD2 3.41Å; P251-Y254 PolarHBondContact O-N 3.43Å; D252-Y254 PolarHBondContact O-N 2.8Å |
| 255 | Y | 92.7 | Very high | 88.9 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -13.1 | -175 | 63.9 | -98.9 | 0 | 0 | 0 | 114.4 | R225 L226 F231 I250 D252 | R225-Y255 CarbonylContact C-O 3.49Å; R225-Y255 WeakPolarHBondContact CA-O 3.17Å; L226-Y255 PolarHBondContact N-O 3.11Å; F231-Y255 AromaticContact CD2-CD1 3.66Å; F231-Y255 HydrophobicContact CD2-CD1 3.66Å; F231-Y255 HydrophobicContact CD2-CE1 4.42Å; F231-Y255 AromaticContact CD2-CG 3.93Å; F231-Y255 HydrophobicContact CD2-CG 3.93Å; F231-Y255 AromaticContact CE2-CD1 3.48Å; F231-Y255 HydrophobicContact CE2-CD1 3.48Å; F231-Y255 VanDerWaalsContact CE2-CD1 3.48Å; F231-Y255 AromaticContact CE2-CE1 3.8Å; F231-Y255 HydrophobicContact CE2-CE1 3.8Å; F231-Y255 HydrophobicContact CE2-CG 4.12Å; I250-Y255 HydrophobicContact CG2-CD1 4.11Å; I250-Y255 HydrophobicContact CG2-CE1 4.14Å; D252-Y255 VanDerWaalsContact CA-CE1 3.45Å; D252-Y255 HydrophobicContact CB-CE1 4.44Å; D252-Y255 PolarHBondContact O-N 2.84Å; D252-Y255 VanDerWaalsContact O-N 3.16Å; D252-Y255 PolarHBondContact OD1-OH 3.23Å |
| 256 | S | 96.3 | Very high | 90 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 8% | 0.077 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -112.3 | 118 | 173.1 | 164.7 | 0 | 0 | 0 | 0 | 109.7 | F30 D223 D252 R258 A259 Y260 | F30-S256 VanDerWaalsContact CE2-C 3.49Å; D223-S256 WeakPolarHBondContact OD2-CA 3.2Å; D223-S256 WeakPolarHBondContact OD2-CB 3.34Å; D223-S256 PolarHBondContact OD2-OG 2.72Å; D252-S256 WeakPolarHBondContact O-CB 3.47Å; D252-S256 PolarHBondContact O-N 3.02Å; S256-R258 VanDerWaalsContact C-N 3.32Å; S256-R258 PolarHBondContact O-N 3.21Å; S256-A259 PolarHBondContact O-N 2.95Å; S256-A259 PolarHBondContact OG-N 3.17Å; S256-A259 VanDerWaalsContact OG-N 3.1Å; S256-Y260 PolarHBondContact O-N 3.23Å |
| 257 | L | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.2 | 179.4 | 61.5 | 0 | 0 | 0 | 110.1 | F30 V33 D223 F224 A259 Y260 L261 L274 | F30-L257 HydrophobicContact CB-CD1 3.84Å; F30-L257 HydrophobicContact CD1-CB 4.14Å; F30-L257 HydrophobicContact CD1-CD1 3.93Å; F30-L257 HydrophobicContact CD1-CG 4.47Å; F30-L257 HydrophobicContact CD2-CB 4.19Å; F30-L257 HydrophobicContact CD2-CD1 4.12Å; F30-L257 HydrophobicContact CE1-CB 3.92Å; F30-L257 HydrophobicContact CE2-CB 4.01Å; F30-L257 VanDerWaalsContact CE2-N 3.27Å; F30-L257 HydrophobicContact CG-CB 4.3Å; F30-L257 HydrophobicContact CG-CD1 3.71Å; F30-L257 HydrophobicContact CZ-CB 3.87Å; V33-L257 HydrophobicContact CB-CD1 4.31Å; V33-L257 HydrophobicContact CG1-CD1 4.03Å; V33-L257 HydrophobicContact CG1-CD2 3.86Å; V33-L257 HydrophobicContact CG2-CD2 4.4Å; D223-L257 PolarHBondContact OD1-N 3Å; F224-L257 HydrophobicContact CB-CB 3.84Å; F224-L257 HydrophobicContact CB-CD2 3.79Å; F224-L257 HydrophobicContact CB-CG 4.47Å; F224-L257 HydrophobicContact CD2-CD2 3.47Å; F224-L257 VanDerWaalsContact CD2-CD2 3.47Å; F224-L257 HydrophobicContact CE2-CD2 4.38Å; F224-L257 HydrophobicContact CG-CD2 3.97Å; F224-L257 VanDerWaalsContact O-CB 3.25Å; F224-L257 WeakPolarHBondContact O-CB 3.34Å; F224-L257 PolarHBondContact O-N 3.11Å; L257-A259 VanDerWaalsContact C-N 3.28Å; L257-A259 PolarHBondContact O-N 3.34Å; L257-Y260 HydrophobicContact CD1-CD1 4.08Å; L257-Y260 WeakPolarHBondContact O-CB 3.37Å; L257-Y260 PolarHBondContact O-N 3.48Å; L257-Y260 VanDerWaalsContact O-N 3.11Å; L257-L261 HydrophobicContact CD1-CD1 3.99Å; L257-L261 HydrophobicContact CD1-CD2 4.02Å; L257-L261 HydrophobicContact CD1-CG 3.76Å; L257-L261 HydrophobicContact CD2-CD1 4.16Å; L257-L261 HydrophobicContact CG-CD1 3.67Å; L257-L261 HydrophobicContact CG-CG 3.91Å; L257-L261 WeakPolarHBondContact O-CB 3.26Å; L257-L261 WeakPolarHBondContact O-CG 3.46Å; L257-L261 PolarHBondContact O-N 3.33Å; L257-L274 HydrophobicContact CB-CD2 4.18Å; L257-L274 HydrophobicContact CD2-CD1 4.04Å; L257-L274 HydrophobicContact CD2-CD2 4.11Å; L257-L274 HydrophobicContact CG-CD2 4.14Å |
| 258 | R | 97.9 | Very high | 92.4 | Very high | 49 Ų | 49 | 22.7 Ų | 22.7 | 19% | 0.185 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -52.8 | -44.9 | 174.6 | -179.3 | 172.5 | -69.8 | -74.1 | -9.4 | 112.1 | T222 D223 S256 S262 L274 K277 K278 V279 | T222-R258 VanDerWaalsContact O-CZ 3.31Å; T222-R258 PolarHBondContact O-NE 3.08Å; T222-R258 VanDerWaalsContact O-NE 3.12Å; T222-R258 PolarHBondContact O-NH2 3.25Å; D223-R258 VanDerWaalsContact OD1-CB 3.27Å; D223-R258 WeakPolarHBondContact OD1-CB 3.22Å; D223-R258 PolarHBondContact OD1-N 3.12Å; S256-R258 VanDerWaalsContact C-N 3.32Å; S256-R258 PolarHBondContact O-N 3.21Å; R258-S262 PolarHBondContact O-N 2.96Å; R258-S262 VanDerWaalsContact O-N 3.13Å; R258-L274 HydrophobicContact CB-CD2 4.11Å; R258-L274 PolarHBondContact NH2-O 2.93Å; R258-K277 PolarHBondContact NH1-O 3.45Å; R258-K277 PolarHBondContact NH2-O 3.35Å; R258-K278 PolarHBondContact NH1-O 3.07Å; R258-V279 HydrophobicContact CG-CG1 4.44Å; R258-V279 HydrophobicContact CG-CG2 4.46Å |
| 259 | A | 96.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 25 Ų | 25 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D252 S256 L257 S262 | D252-A259 HydrophobicContact CB-CB 3.69Å; S256-A259 PolarHBondContact O-N 2.95Å; S256-A259 PolarHBondContact OG-N 3.17Å; S256-A259 VanDerWaalsContact OG-N 3.1Å; L257-A259 VanDerWaalsContact C-N 3.28Å; L257-A259 PolarHBondContact O-N 3.34Å; A259-S262 PolarHBondContact O-N 2.92Å; A259-S262 PolarHBondContact O-OG 3.24Å |
| 260 | Y | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 176.1 | 176.2 | -132.9 | 0 | 0 | 0 | 112.5 | W28 F30 A34 M253 S256 L257 S262 I263 L264 L329 Q367 | W28-Y260 AromaticContact CH2-CD1 3.77Å; W28-Y260 HydrophobicContact CH2-CD1 3.77Å; W28-Y260 AromaticContact CH2-CD2 3.64Å; W28-Y260 HydrophobicContact CH2-CD2 3.64Å; W28-Y260 AromaticContact CH2-CE1 3.92Å; W28-Y260 HydrophobicContact CH2-CE1 3.92Å; W28-Y260 AromaticContact CH2-CE2 3.8Å; W28-Y260 HydrophobicContact CH2-CE2 3.8Å; W28-Y260 AromaticContact CH2-CG 3.61Å; W28-Y260 HydrophobicContact CH2-CG 3.61Å; W28-Y260 AromaticContact CH2-CZ 3.93Å; W28-Y260 HydrophobicContact CZ2-CG 4.49Å; W28-Y260 HydrophobicContact CZ3-CD1 4.19Å; W28-Y260 HydrophobicContact CZ3-CD2 4.13Å; W28-Y260 AromaticContact CZ3-CE1 3.84Å; W28-Y260 HydrophobicContact CZ3-CE1 3.84Å; W28-Y260 AromaticContact CZ3-CE2 3.78Å; W28-Y260 HydrophobicContact CZ3-CE2 3.78Å; W28-Y260 HydrophobicContact CZ3-CG 4.31Å; W28-Y260 AromaticContact CZ3-CZ 3.61Å; F30-Y260 HydrophobicContact CB-CD1 3.82Å; F30-Y260 HydrophobicContact CB-CE1 4.07Å; A34-Y260 HydrophobicContact CB-CE1 3.9Å; M253-Y260 HydrophobicContact CE-CD2 3.8Å; M253-Y260 HydrophobicContact CE-CE2 4.11Å; M253-Y260 WeakPolarHBondContact O-CB 3.46Å; S256-Y260 PolarHBondContact O-N 3.23Å; L257-Y260 HydrophobicContact CD1-CD1 4.08Å; L257-Y260 WeakPolarHBondContact O-CB 3.37Å; L257-Y260 PolarHBondContact O-N 3.48Å; L257-Y260 VanDerWaalsContact O-N 3.11Å; Y260-S262 PolarHBondContact O-N 3.02Å; Y260-I263 VanDerWaalsContact O-CG1 3.26Å; Y260-I263 WeakPolarHBondContact O-CG1 3.26Å; Y260-I263 PolarHBondContact O-N 2.94Å; Y260-I263 VanDerWaalsContact O-N 3.08Å; Y260-L264 HydrophobicContact CE1-CD1 3.95Å; Y260-L264 HydrophobicContact CE2-CD1 3.86Å; Y260-L264 VanDerWaalsContact CZ-CD1 3.46Å; Y260-L264 PolarHBondContact O-N 3.14Å; Y260-L264 WeakPolarHBondContact OH-CD1 3.4Å; Y260-L329 HydrophobicContact CE2-CD2 4.19Å; Y260-Q367 PolarHBondContact OH-NE2 2.72Å |
| 261 | L | 98 | Very high | 94.7 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.5 | -28.5 | -179.4 | -65.9 | -179.4 | 0 | 0 | 0 | 112.5 | I37 I52 L257 I263 L264 V272 V279 | I37-L261 HydrophobicContact CD1-CD1 4.2Å; I37-L261 HydrophobicContact CD1-CD2 3.22Å; I37-L261 HydrophobicContact CD1-CG 4.32Å; I52-L261 HydrophobicContact CD1-CD1 4.22Å; L257-L261 HydrophobicContact CD1-CD1 3.99Å; L257-L261 HydrophobicContact CD1-CD2 4.02Å; L257-L261 HydrophobicContact CD1-CG 3.76Å; L257-L261 HydrophobicContact CD2-CD1 4.16Å; L257-L261 HydrophobicContact CG-CD1 3.67Å; L257-L261 HydrophobicContact CG-CG 3.91Å; L257-L261 WeakPolarHBondContact O-CB 3.26Å; L257-L261 WeakPolarHBondContact O-CG 3.46Å; L257-L261 PolarHBondContact O-N 3.33Å; L261-I263 PolarHBondContact O-N 3.07Å; L261-L264 HydrophobicContact CD2-CD2 3.85Å; L261-L264 PolarHBondContact O-N 2.9Å; L261-V272 HydrophobicContact CD1-CG1 3.79Å; L261-V279 HydrophobicContact CB-CG1 3.97Å; L261-V279 HydrophobicContact CB-CG2 4.47Å; L261-V279 HydrophobicContact CD1-CG2 4.37Å |
| 262 | S | 96.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 6% | 0.063 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.1 | 176.8 | 78.7 | 0 | 0 | 0 | 0 | 114 | R258 A259 Y260 L280 A281 K282 | R258-S262 PolarHBondContact O-N 2.96Å; R258-S262 VanDerWaalsContact O-N 3.13Å; A259-S262 PolarHBondContact O-N 2.92Å; A259-S262 PolarHBondContact O-OG 3.24Å; Y260-S262 PolarHBondContact O-N 3.02Å; S262-L280 WeakPolarHBondContact CB-O 3.25Å; S262-A281 CarbonylContact O-C 3.56Å; S262-K282 PolarHBondContact O-N 3.26Å |
| 263 | I | 96.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 19.4 Ų | 19.4 | 6% | 0.062 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 7.3 | -177.3 | 60.1 | 171.4 | 0 | 0 | 0 | 112.7 | M253 Y260 L261 Y265 V284 M322 Y324 L329 | M253-I263 HydrophobicContact CB-CD1 4.1Å; M253-I263 HydrophobicContact CG-CD1 4.4Å; M253-I263 HydrophobicContact SD-CD1 3.68Å; Y260-I263 VanDerWaalsContact O-CG1 3.26Å; Y260-I263 WeakPolarHBondContact O-CG1 3.26Å; Y260-I263 PolarHBondContact O-N 2.94Å; Y260-I263 VanDerWaalsContact O-N 3.08Å; L261-I263 PolarHBondContact O-N 3.07Å; I263-Y265 PolarHBondContact O-N 2.89Å; I263-V284 HydrophobicContact CB-CG2 4.1Å; I263-V284 HydrophobicContact CG2-CG2 3.67Å; I263-M322 HydrophobicContact CD1-CE 3.89Å; I263-Y324 PolarHBondContact O-OH 3.05Å; I263-Y324 VanDerWaalsContact O-OH 3.05Å; I263-L329 HydrophobicContact CD1-CD2 4.13Å; I263-L329 HydrophobicContact CG1-CD2 4.12Å |
| 264 | L | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -61.3 | -32.9 | -176.2 | -176.8 | 61.1 | 0 | 0 | 0 | 112.3 | A34 I37 Y260 L261 L329 | A34-L264 HydrophobicContact CB-CD1 4.01Å; A34-L264 HydrophobicContact CB-CD2 3.93Å; I37-L264 HydrophobicContact CD1-CD2 4.35Å; I37-L264 HydrophobicContact CG2-CD2 4.41Å; Y260-L264 HydrophobicContact CE1-CD1 3.95Å; Y260-L264 HydrophobicContact CE2-CD1 3.86Å; Y260-L264 VanDerWaalsContact CZ-CD1 3.46Å; Y260-L264 PolarHBondContact O-N 3.14Å; Y260-L264 WeakPolarHBondContact OH-CD1 3.4Å; L261-L264 HydrophobicContact CD2-CD2 3.85Å; L261-L264 PolarHBondContact O-N 2.9Å; L264-L329 WeakPolarHBondContact O-CB 3.31Å; L264-L329 PolarHBondContact O-N 3.06Å |
| 265 | Y | 96.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 20.1 Ų | 20.1 | 4% | 0.043 | 9% | 0.093 | C | C | . | . | B | Isolated β-bridge | trans | -117.3 | 135.4 | 179.7 | -60.2 | -66.5 | 0 | 0 | 0 | 111.6 | I37 D38 I98 I263 K267 N327 R328 | I37-Y265 HydrophobicContact CG2-CE2 3.94Å; I37-Y265 WeakPolarHBondContact CG2-OH 3.43Å; D38-Y265 WeakPolarHBondContact CA-OH 3.42Å; D38-Y265 PolarHBondContact N-OH 3.34Å; D38-Y265 PolarHBondContact OD1-OH 2.85Å; I98-Y265 HydrophobicContact CD1-CD1 4.46Å; I98-Y265 HydrophobicContact CD1-CE1 3.64Å; I263-Y265 PolarHBondContact O-N 2.89Å; Y265-K267 VanDerWaalsContact C-N 3.26Å; Y265-K267 PolarHBondContact O-N 2.67Å; Y265-N327 CarbonylContact C-O 3.43Å; Y265-N327 WeakPolarHBondContact CA-O 3.36Å; Y265-R328 HydrophobicContact CD1-CB 4.49Å; Y265-R328 HydrophobicContact CE1-CB 4.38Å |
| 266 | L | 94.9 | Very high | 96.3 | Very high | 36 Ų | 36 | 20.9 Ų | 20.9 | 19% | 0.188 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -60.3 | -42 | 177.8 | 177.4 | 60.9 | 0 | 0 | 0 | 110.7 | L283 Y324 N327 I354 E356 | L266-L283 WeakPolarHBondContact O-CD2 3.42Å; L266-Y324 HydrophobicContact CB-CD1 3.58Å; L266-Y324 HydrophobicContact CB-CD2 4.26Å; L266-Y324 HydrophobicContact CB-CE1 3.79Å; L266-Y324 HydrophobicContact CB-CE2 4.42Å; L266-Y324 HydrophobicContact CB-CG 3.85Å; L266-Y324 HydrophobicContact CD1-CD2 4.06Å; L266-Y324 HydrophobicContact CD1-CE2 3.95Å; L266-Y324 HydrophobicContact CD1-CG 4.48Å; L266-N327 WeakPolarHBondContact CB-OD1 3.42Å; L266-N327 PolarHBondContact N-O 2.94Å; L266-N327 PolarHBondContact N-OD1 2.64Å; L266-I354 HydrophobicContact CD1-CG2 3.64Å; L266-E356 HydrophobicContact CD2-CB 4.37Å |
| 267 | K | 93.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 25.2 Ų | 25.2 | 18% | 0.183 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -133.4 | 89.5 | 176.1 | -162.8 | 166.7 | -163.3 | 171.3 | 0 | 109.1 | Y265 R269 L283 N327 E464 E467 | Y265-K267 VanDerWaalsContact C-N 3.26Å; Y265-K267 PolarHBondContact O-N 2.67Å; K267-R269 PolarHBondContact O-N 3.46Å; K267-L283 HydrophobicContact CB-CD2 4.5Å; K267-L283 HydrophobicContact CG-CD2 4.21Å; K267-N327 WeakPolarHBondContact CA-OD1 3.46Å; K267-N327 PolarHBondContact N-OD1 2.89Å; K267-N327 PolarHBondContact O-ND2 2.88Å; K267-N327 PolarHBondContact O-OD1 3.47Å; K267-E464 WeakPolarHBondContact CE-OE1 3.34Å; K267-E464 IonicContact NZ-OE1 3.74Å; K267-E464 PolarHBondContact NZ-OE1 2.78Å; K267-E467 WeakPolarHBondContact CE-OE1 3.38Å; K267-E467 IonicContact NZ-OE1 3.86Å; K267-E467 PolarHBondContact NZ-OE1 3.21Å |
| 268 | P | 92.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | trans | -61.7 | 135 | -176.2 | -19.8 | 29.9 | 0 | 0 | 0 | 111.6 | A281 Q425 W432 | P268-A281 HydrophobicContact CB-CB 3.75Å; P268-A281 HydrophobicContact CG-CB 3.5Å; P268-Q425 PolarHBondContact O-NE2 3.4Å; P268-W432 HydrophobicContact CB-CZ2 4.02Å; P268-W432 HydrophobicContact CG-CZ2 3.84Å; P268-W432 PolarHBondContact O-NE1 3.11Å | ||
| 269 | R | 91.5 | Very high | 96.1 | Very high | 65 Ų | 65 | 25.2 Ų | 25.2 | 25% | 0.245 | 13% | 0.134 | C | C | . | . | trans | -128.2 | 0.7 | 178.7 | -63.7 | -60.7 | -173.7 | -173.4 | 2.4 | 113.9 | K267 L430 E464 | K267-R269 PolarHBondContact O-N 3.46Å; R269-L430 PolarHBondContact NH1-O 3.21Å; R269-L430 VanDerWaalsContact O-CD1 3.27Å; R269-L430 WeakPolarHBondContact O-CD1 3.46Å; R269-E464 IonicContact CZ-OE1 2.81Å; R269-E464 IonicContact CZ-OE2 3.56Å; R269-E464 IonicContact NH1-OE1 2.74Å; R269-E464 IonicContact NH1-OE2 3.24Å; R269-E464 PolarHBondContact NH1-OE2 3.28Å; R269-E464 IonicContact NH2-OE1 2.79Å; R269-E464 PolarHBondContact NH2-OE1 3.05Å; R269-E464 IonicContact NH2-OE2 3.58Å; R269-E464 PolarHBondContact NH2-OE2 3.07Å | ||
| 270 | T | 94.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -126.6 | 133.3 | 175.4 | -52.1 | 0 | 0 | 0 | 0 | 106.9 | S41 A47 I50 | S41-T270 VanDerWaalsContact CB-OG1 3.31Å; S41-T270 WeakPolarHBondContact CB-OG1 3.46Å; S41-T270 WeakPolarHBondContact OG-CB 3.27Å; S41-T270 PolarHBondContact OG-OG1 3.14Å; A47-T270 WeakPolarHBondContact O-CG2 3.44Å; A47-T270 PolarHBondContact O-OG1 3.48Å; I50-T270 HydrophobicContact CG2-CG2 4.08Å |
| 271 | Q | 95.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 126.8 | 173.3 | -64.4 | -178.2 | -30.9 | 0 | 0 | 109.3 | K48 Q49 I50 I273 L430 | K48-Q271 PolarHBondContact O-N 3.43Å; Q49-Q271 CarbonylContact C-O 3.56Å; Q49-Q271 VanDerWaalsContact CA-O 3.3Å; Q49-Q271 WeakPolarHBondContact CA-O 3.09Å; Q49-Q271 HydrophobicContact CG-CB 3.87Å; I50-Q271 PolarHBondContact N-O 2.95Å; Q271-I273 HydrophobicContact CB-CD1 4.46Å; Q271-L430 HydrophobicContact CG-CD2 3.9Å |
| 272 | V | 97.8 | Very high | 95.3 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.1 | 176.4 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | I37 I50 I52 L261 V279 | I37-V272 HydrophobicContact CG2-CG2 4.23Å; I50-V272 HydrophobicContact CG2-CB 4.24Å; I50-V272 HydrophobicContact CG2-CG1 4.11Å; I50-V272 HydrophobicContact CG2-CG2 3.87Å; I52-V272 HydrophobicContact CD1-CG1 3.73Å; I52-V272 HydrophobicContact CG1-CG1 4.36Å; L261-V272 HydrophobicContact CD1-CG1 3.79Å; V272-V279 HydrophobicContact CB-CB 4.34Å; V272-V279 HydrophobicContact CB-CG2 4.27Å; V272-V279 HydrophobicContact CG1-CG2 4.25Å; V272-V279 WeakPolarHBondContact O-CB 3.43Å; V272-V279 PolarHBondContact O-N 3.25Å |
| 273 | I | 98 | Very high | 95.1 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 113.1 | 175.8 | -57.9 | 88.1 | 0 | 0 | 0 | 106.7 | Q49 I50 W51 I52 Q271 G276 | Q49-I273 HydrophobicContact CB-CD1 3.92Å; Q49-I273 HydrophobicContact CG-CD1 3.94Å; I50-I273 PolarHBondContact O-N 3.48Å; W51-I273 CarbonylContact C-O 3.53Å; W51-I273 WeakPolarHBondContact CA-O 3.21Å; W51-I273 HydrophobicContact CD2-CD1 4.38Å; W51-I273 HydrophobicContact CG-CB 4.19Å; W51-I273 HydrophobicContact CG-CD1 4.43Å; W51-I273 HydrophobicContact CZ2-CD1 4.47Å; I52-I273 PolarHBondContact N-O 3.47Å; Q271-I273 HydrophobicContact CB-CD1 4.46Å; I273-G276 VanDerWaalsContact CG2-C 3.48Å |
| 274 | L | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.3 | 179.3 | 177.5 | 63.3 | 0 | 0 | 0 | 108.4 | I52 D223 F224 L257 R258 G276 K277 V279 | I52-L274 HydrophobicContact CB-CD1 3.89Å; I52-L274 HydrophobicContact CG2-CD1 3.8Å; I52-L274 WeakPolarHBondContact O-CA 3.06Å; D223-L274 WeakPolarHBondContact OD1-CD2 3.23Å; F224-L274 HydrophobicContact CD1-CD1 4.14Å; F224-L274 HydrophobicContact CD2-CD1 3.99Å; F224-L274 HydrophobicContact CE1-CD1 4.25Å; F224-L274 HydrophobicContact CE2-CD1 4.04Å; F224-L274 HydrophobicContact CG-CD1 4.02Å; F224-L274 HydrophobicContact CZ-CD1 4.18Å; L257-L274 HydrophobicContact CB-CD2 4.18Å; L257-L274 HydrophobicContact CD2-CD1 4.04Å; L257-L274 HydrophobicContact CD2-CD2 4.11Å; L257-L274 HydrophobicContact CG-CD2 4.14Å; R258-L274 HydrophobicContact CB-CD2 4.11Å; R258-L274 PolarHBondContact NH2-O 2.93Å; L274-G276 VanDerWaalsContact C-N 3.28Å; L274-G276 PolarHBondContact O-N 3.1Å; L274-K277 PolarHBondContact N-O 3.19Å; L274-K277 PolarHBondContact O-N 2.86Å; L274-V279 HydrophobicContact CB-CG2 3.93Å |
| 275 | R | 97.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 45.9 | 179.2 | -61.8 | -73.9 | -70.8 | 169.9 | -22.2 | 112.3 | I52 D53 V54 S221 F224 K277 | I52-R275 PolarHBondContact O-N 2.95Å; D53-R275 WeakPolarHBondContact OD1-CD 3.41Å; D53-R275 IonicContact OD1-CZ 2.66Å; D53-R275 IonicContact OD1-NE 2.94Å; D53-R275 IonicContact OD1-NH1 3.87Å; D53-R275 PolarHBondContact OD1-NH1 2.68Å; V54-R275 PolarHBondContact O-NH1 3.31Å; S221-R275 VanDerWaalsContact O-CB 3.3Å; S221-R275 WeakPolarHBondContact O-CB 3.15Å; S221-R275 PolarHBondContact O-NE 2.99Å; F224-R275 HydrophobicContact CD1-CG 4.24Å; F224-R275 HydrophobicContact CE1-CG 4.07Å; R275-K277 PolarHBondContact O-N 3.02Å |
| 276 | G | 95.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 63% | 0.629 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | -9.2 | -176 | 0 | 0 | 0 | 0 | 0 | 116.2 | I273 L274 | I273-G276 VanDerWaalsContact CG2-C 3.48Å; L274-G276 VanDerWaalsContact C-N 3.28Å; L274-G276 PolarHBondContact O-N 3.1Å |
| 277 | K | 96.3 | Very high | 93.8 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.9 | 179.9 | -69.9 | -161 | -174.5 | -177.8 | 0 | 112.6 | T222 R258 L274 R275 V279 | T222-K277 HydrophobicContact CG2-CD 3.56Å; T222-K277 HydrophobicContact CG2-CG 4.31Å; R258-K277 PolarHBondContact NH1-O 3.45Å; R258-K277 PolarHBondContact NH2-O 3.35Å; L274-K277 PolarHBondContact N-O 3.19Å; L274-K277 PolarHBondContact O-N 2.86Å; R275-K277 PolarHBondContact O-N 3.02Å; K277-V279 PolarHBondContact O-N 2.9Å |
| 278 | K | 95.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 135.7 | 178.1 | -170.4 | 166.7 | 63.8 | 180 | 0 | 111.4 | R258 E427 E445 | R258-K278 PolarHBondContact NH1-O 3.07Å; K278-E427 IonicContact NZ-OE1 3.16Å; K278-E427 PolarHBondContact NZ-OE1 3.45Å; K278-E445 WeakPolarHBondContact CE-O 3.3Å; K278-E445 PolarHBondContact NZ-O 3.1Å |
| 279 | V | 95.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | trans | -82.9 | 119.9 | 171.8 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | R258 L261 V272 L274 K277 A281 | R258-V279 HydrophobicContact CG-CG1 4.44Å; R258-V279 HydrophobicContact CG-CG2 4.46Å; L261-V279 HydrophobicContact CB-CG1 3.97Å; L261-V279 HydrophobicContact CB-CG2 4.47Å; L261-V279 HydrophobicContact CD1-CG2 4.37Å; V272-V279 HydrophobicContact CB-CB 4.34Å; V272-V279 HydrophobicContact CB-CG2 4.27Å; V272-V279 HydrophobicContact CG1-CG2 4.25Å; V272-V279 WeakPolarHBondContact O-CB 3.43Å; V272-V279 PolarHBondContact O-N 3.25Å; L274-V279 HydrophobicContact CB-CG2 3.93Å; K277-V279 PolarHBondContact O-N 2.9Å; V279-A281 PolarHBondContact O-N 3.48Å | ||
| 280 | L | 92.8 | Very high | 93.5 | Very high | 89 Ų | 89 | 38.6 Ų | 38.6 | 47% | 0.466 | 21% | 0.211 | S | C | . | . | trans | -76.6 | 94.5 | 175.7 | -58.4 | 175.2 | 0 | 0 | 0 | 109.2 | S262 | S262-L280 WeakPolarHBondContact CB-O 3.25Š| ||
| 281 | A | 93.1 | Very high | 93.3 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | trans | -66.2 | 151 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S262 P268 V279 W432 | S262-A281 CarbonylContact O-C 3.56Å; P268-A281 HydrophobicContact CB-CB 3.75Å; P268-A281 HydrophobicContact CG-CB 3.5Å; V279-A281 PolarHBondContact O-N 3.48Å; A281-W432 HydrophobicContact CB-CH2 4.47Å; A281-W432 HydrophobicContact CB-CZ2 4.48Å; A281-W432 WeakPolarHBondContact O-CH2 3.18Å | ||
| 282 | K | 90.4 | Very high | 93.1 | Very high | 112 Ų | 112 | 42.3 Ų | 42.3 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | trans | -124.2 | 131.2 | -172.6 | -63.3 | 175.5 | -176.1 | 167.5 | 0 | 110.3 | S262 V284 | S262-K282 PolarHBondContact O-N 3.26Å; K282-V284 PolarHBondContact O-N 2.98Å; K282-V284 VanDerWaalsContact O-N 3.12Å | ||
| 283 | L | 92.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | trans | -77.4 | 91.2 | 160.6 | -62.2 | -180 | 0 | 0 | 0 | 107.8 | L266 K267 S285 K286 S287 W423 W432 | L266-L283 WeakPolarHBondContact O-CD2 3.42Å; K267-L283 HydrophobicContact CB-CD2 4.5Å; K267-L283 HydrophobicContact CG-CD2 4.21Å; L283-S285 PolarHBondContact O-N 3.03Å; L283-S285 VanDerWaalsContact O-N 3.12Å; L283-K286 HydrophobicContact CB-CB 3.99Å; L283-K286 HydrophobicContact CB-CG 3.84Å; L283-K286 HydrophobicContact CD1-CG 4.09Å; L283-K286 PolarHBondContact O-N 3.49Å; L283-S287 PolarHBondContact O-N 3.05Å; L283-W423 HydrophobicContact CD1-CB 3.94Å; L283-W423 HydrophobicContact CD1-CD2 4.17Å; L283-W423 HydrophobicContact CD1-CE3 4.18Å; L283-W423 HydrophobicContact CD1-CG 4.09Å; L283-W432 HydrophobicContact CD1-CB 4.24Å; L283-W432 HydrophobicContact CD1-CD2 3.78Å; L283-W432 HydrophobicContact CD1-CE3 3.76Å; L283-W432 HydrophobicContact CD1-CG 4Å; L283-W432 HydrophobicContact CD1-CZ3 4.4Å; L283-W432 HydrophobicContact CD2-CD2 4.19Å; L283-W432 HydrophobicContact CD2-CZ2 4.33Å; L283-W432 HydrophobicContact CG-CD2 3.96Å; L283-W432 HydrophobicContact CG-CE3 3.93Å; L283-W432 HydrophobicContact CG-CH2 4.34Å; L283-W432 HydrophobicContact CG-CZ2 4.38Å; L283-W432 HydrophobicContact CG-CZ3 4.12Å | ||
| 284 | V | 92.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -52.3 | -41.7 | -172.1 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | I263 K282 K286 S287 L288 I352 I354 | I263-V284 HydrophobicContact CB-CG2 4.1Å; I263-V284 HydrophobicContact CG2-CG2 3.67Å; K282-V284 PolarHBondContact O-N 2.98Å; K282-V284 VanDerWaalsContact O-N 3.12Å; V284-K286 VanDerWaalsContact C-N 3.27Å; V284-K286 PolarHBondContact O-N 3.4Å; V284-S287 PolarHBondContact O-N 3.11Å; V284-S287 VanDerWaalsContact O-N 3.11Å; V284-S287 PolarHBondContact O-OG 2.77Å; V284-L288 WeakPolarHBondContact O-CG 3.2Å; V284-I352 HydrophobicContact CG1-CG2 4.43Å; V284-I354 HydrophobicContact CB-CD1 4.13Å; V284-I354 HydrophobicContact CG1-CD1 3.94Å; V284-I354 HydrophobicContact CG1-CG1 4.46Å |
| 285 | S | 90.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -60.6 | -33.4 | 178.7 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | L283 S287 I291 I354 | L283-S285 PolarHBondContact O-N 3.03Å; L283-S285 VanDerWaalsContact O-N 3.12Å; S285-S287 VanDerWaalsContact C-N 3.33Å; S285-I291 WeakPolarHBondContact O-CD1 3.49Å; S285-I354 VanDerWaalsContact N-CD1 3.31Å |
| 286 | K | 88.8 | Confident | 92 | Very high | 73 Ų | 73 | 42 Ų | 42 | 32% | 0.317 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -85.4 | -6.7 | -179.8 | -55.9 | -60.4 | -173 | 176.1 | 0 | 113.2 | L283 V284 W423 | L283-K286 HydrophobicContact CB-CB 3.99Å; L283-K286 HydrophobicContact CB-CG 3.84Å; L283-K286 HydrophobicContact CD1-CG 4.09Å; L283-K286 PolarHBondContact O-N 3.49Å; V284-K286 VanDerWaalsContact C-N 3.27Å; V284-K286 PolarHBondContact O-N 3.4Å; K286-W423 HydrophobicContact CB-CG 4.18Å; K286-W423 HydrophobicContact CD-CZ2 4.45Å; K286-W423 HydrophobicContact CG-CD2 4.4Å; K286-W423 HydrophobicContact CG-CG 4.21Å |
| 287 | S | 87.3 | Confident | 91.8 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 42% | 0.42 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -95.8 | 1 | 178.3 | 71.6 | 0 | 0 | 0 | 0 | 114.1 | L283 V284 S285 P313 | L283-S287 PolarHBondContact O-N 3.05Å; V284-S287 PolarHBondContact O-N 3.11Å; V284-S287 VanDerWaalsContact O-N 3.11Å; V284-S287 PolarHBondContact O-OG 2.77Å; S285-S287 VanDerWaalsContact C-N 3.33Å; S287-P313 WeakPolarHBondContact O-CD 3.35Å |
| 288 | L | 90.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | trans | -95.2 | 162 | -179.4 | -51.2 | 178.3 | 0 | 0 | 0 | 111.1 | V284 I291 I352 I354 | V284-L288 WeakPolarHBondContact O-CG 3.2Å; L288-I291 HydrophobicContact CB-CD1 4.49Å; L288-I291 HydrophobicContact CB-CG1 3.97Å; L288-I291 WeakPolarHBondContact O-CD1 3.46Å; L288-I352 HydrophobicContact CD1-CB 3.99Å; L288-I352 HydrophobicContact CD1-CG2 4.05Å; L288-I352 HydrophobicContact CD2-CB 3.94Å; L288-I352 HydrophobicContact CD2-CD1 3.82Å; L288-I352 HydrophobicContact CD2-CG1 4.34Å; L288-I352 HydrophobicContact CD2-CG2 4.35Å; L288-I354 HydrophobicContact CD1-CD1 4.01Å | ||
| 289 | T | 89.8 | Confident | 91 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 18% | 0.184 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 156.7 | 171.6 | 54 | 0 | 0 | 0 | 0 | 110.2 | I291 G310 V311 P313 | T289-I291 VanDerWaalsContact C-N 3.32Å; T289-I291 PolarHBondContact O-N 3.34Å; T289-G310 WeakPolarHBondContact O-CA 3.46Å; T289-V311 PolarHBondContact N-O 3.36Å; T289-V311 PolarHBondContact O-N 2.93Å; T289-V311 PolarHBondContact OG1-O 2.87Å; T289-P313 HydrophobicContact CG2-CB 3.88Å; T289-P313 HydrophobicContact CG2-CG 4.1Å |
| 290 | H | 88.8 | Confident | 90.7 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 54.1 | -176 | -46.1 | -86.1 | 0 | 0 | 0 | 112.1 | E292 Y389 V393 R397 | H290-E292 PolarHBondContact O-N 2.79Å; H290-Y389 PolarHBondContact O-OH 3.07Å; H290-V393 HydrophobicContact CB-CG1 4.11Å; H290-R397 PolarHBondContact CD2-NE 3.47Å; H290-R397 PolarHBondContact CD2-NH2 3.25Å; H290-R397 PolarHBondContact NE2-NE 3.44Å; H290-R397 VanDerWaalsContact NE2-NE 3.13Å; H290-R397 PolarHBondContact NE2-NH2 2.95Å |
| 291 | I | 90.6 | Very high | 90.4 | Very high | 64 Ų | 64 | 48.1 Ų | 48.1 | 33% | 0.328 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 124.8 | -177.6 | -63.3 | 164.5 | 0 | 0 | 0 | 108.8 | S285 L288 T289 T308 F309 | S285-I291 WeakPolarHBondContact O-CD1 3.49Å; L288-I291 HydrophobicContact CB-CD1 4.49Å; L288-I291 HydrophobicContact CB-CG1 3.97Å; L288-I291 WeakPolarHBondContact O-CD1 3.46Å; T289-I291 VanDerWaalsContact C-N 3.32Å; T289-I291 PolarHBondContact O-N 3.34Å; I291-T308 HydrophobicContact CG2-CG2 3.64Å; I291-F309 CarbonylContact C-O 3.52Å; I291-F309 VanDerWaalsContact CA-O 3.32Å; I291-F309 WeakPolarHBondContact CA-O 3.47Å |
| 292 | E | 91.4 | Very high | 89.9 | Confident | 30 Ų | 30 | 57 Ų | 57 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.3 | 173.8 | -64.3 | -69.7 | 168.1 | 0 | 0 | 109.7 | H290 T308 F309 Y389 V393 S476 Y477 | H290-E292 PolarHBondContact O-N 2.79Å; E292-T308 CarbonylContact O-C 3.58Å; E292-T308 WeakPolarHBondContact O-CA 3.39Å; E292-F309 PolarHBondContact N-O 2.91Å; E292-F309 PolarHBondContact O-N 3.29Å; E292-Y389 HydrophobicContact CB-CD2 3.75Å; E292-Y389 HydrophobicContact CB-CE2 3.69Å; E292-Y389 HydrophobicContact CG-CD2 4.05Å; E292-Y389 HydrophobicContact CG-CE2 3.75Å; E292-V393 HydrophobicContact CG-CG2 4.47Å; E292-S476 WeakPolarHBondContact CA-OG 3.19Å; E292-S476 VanDerWaalsContact OE2-CB 3.28Å; E292-S476 WeakPolarHBondContact OE2-CB 3.34Å; E292-S476 PolarHBondContact OE2-OG 3.5Å; E292-Y477 HydrophobicContact CB-CD1 3.94Å; E292-Y477 HydrophobicContact CB-CE1 4.45Å; E292-Y477 HydrophobicContact CG-CD1 4.4Å |
| 293 | H | 90.4 | Very high | 89.6 | Confident | 41 Ų | 41 | 57 Ų | 57 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.3 | -178.2 | -59.6 | -47.6 | 0 | 0 | 0 | 110.6 | K306 V307 T308 P475 S476 | H293-K306 VanDerWaalsContact CD2-CE 3.42Å; H293-K306 WeakPolarHBondContact CD2-CE 3.11Å; H293-K306 PolarHBondContact CD2-NZ 3.06Å; H293-K306 WeakPolarHBondContact CE1-CE 3.41Å; H293-K306 PolarHBondContact CE1-NZ 2.75Å; H293-K306 WeakPolarHBondContact ND1-CE 3.38Å; H293-K306 WeakPolarHBondContact NE2-CE 3.35Å; H293-K306 PolarHBondContact NE2-NZ 3.14Å; H293-V307 CarbonylContact C-O 3.6Å; H293-V307 WeakPolarHBondContact CA-O 3.21Å; H293-T308 PolarHBondContact CE1-OG1 3.45Å; H293-T308 VanDerWaalsContact CE1-OG1 3.3Å; H293-T308 PolarHBondContact ND1-OG1 3.49Å; H293-P475 CarbonylContact O-C 3.56Å; H293-P475 VanDerWaalsContact O-CA 3.28Å; H293-P475 WeakPolarHBondContact O-CA 3.2Å; H293-S476 PolarHBondContact N-OG 3.23Å; H293-S476 PolarHBondContact O-N 2.99Å; H293-S476 PolarHBondContact O-OG 2.93Å |
| 294 | D | 92.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 165.3 | 167.5 | -158.5 | -32.8 | 0 | 0 | 0 | 108.3 | V307 F309 K385 Y477 K479 | D294-V307 PolarHBondContact N-O 3.32Å; D294-V307 PolarHBondContact O-N 3.14Å; D294-F309 HydrophobicContact CB-CE2 4.41Å; D294-K385 HydrophobicContact CB-CD 4.21Å; D294-K385 VanDerWaalsContact CG-NZ 3.29Å; D294-K385 IonicContact OD1-NZ 2.71Å; D294-K385 PolarHBondContact OD1-NZ 3.46Å; D294-K385 WeakPolarHBondContact OD2-CG 3.42Å; D294-K385 IonicContact OD2-NZ 3.45Å; D294-K385 PolarHBondContact OD2-NZ 3.26Å; D294-Y477 HydrophobicContact CB-CE1 4.26Å; D294-Y477 PolarHBondContact OD2-OH 2.88Å; D294-Y477 VanDerWaalsContact OD2-OH 3.1Å; D294-K479 IonicContact OD1-NZ 3.98Å; D294-K479 IonicContact OD2-NZ 2.87Å; D294-K479 PolarHBondContact OD2-NZ 3.03Å |
| 295 | V | 92.6 | Very high | 89.3 | Confident | 22 Ų | 22 | 62 Ų | 62 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.1 | -178.9 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | K304 K385 L473 | V295-K304 HydrophobicContact CG1-CB 3.9Å; V295-K304 HydrophobicContact CG1-CD 4.19Å; V295-K304 HydrophobicContact CG1-CG 4.28Å; V295-K385 WeakPolarHBondContact O-CE 3.22Å; V295-K385 PolarHBondContact O-NZ 3.25Å; V295-L473 HydrophobicContact CG1-CB 4.34Å; V295-L473 HydrophobicContact CG2-CB 4.07Å |
| 296 | Y | 92.6 | Very high | 89.4 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 7% | 0.071 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.5 | 170.9 | -179.7 | -133.5 | 0 | 0 | 0 | 109.9 | P298 V305 I355 F359 T378 A381 | Y296-P298 HydrophobicContact CD1-CG 3.83Å; Y296-P298 HydrophobicContact CE1-CB 3.78Å; Y296-P298 HydrophobicContact CE1-CG 3.49Å; Y296-P298 VanDerWaalsContact CE1-CG 3.49Å; Y296-V305 PolarHBondContact N-O 3.1Å; Y296-V305 PolarHBondContact O-N 2.95Å; Y296-I355 HydrophobicContact CD1-CD1 4.21Å; Y296-F359 HydrophobicContact CD1-CE1 4.37Å; Y296-F359 AromaticContact CD1-CZ 3.98Å; Y296-F359 HydrophobicContact CD1-CZ 3.98Å; Y296-F359 HydrophobicContact CE1-CE1 4.41Å; Y296-F359 HydrophobicContact CE1-CE2 4.21Å; Y296-F359 AromaticContact CE1-CZ 3.7Å; Y296-F359 HydrophobicContact CE1-CZ 3.7Å; Y296-T378 HydrophobicContact CE1-CG2 3.92Å; Y296-A381 HydrophobicContact CD2-CB 3.81Å; Y296-A381 HydrophobicContact CE2-CB 3.37Å |
| 297 | K | 92.4 | Very high | 89.7 | Confident | 138 Ų | 138 | 60.7 Ų | 60.7 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | trans | -113 | 97.1 | 169.9 | -173.4 | -178.8 | 177.9 | -174.3 | 0 | 107.3 | Q299 K304 | K297-Q299 PolarHBondContact O-N 3.32Å; K297-K304 HydrophobicContact CB-CG 4.34Å; K297-K304 HydrophobicContact CD-CG 4.5Å; K297-K304 HydrophobicContact CG-CG 4.24Å | ||
| 298 | P | 88.6 | Confident | 90.1 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | trans | -61.8 | 134.4 | 175.6 | -6.9 | 19.3 | 0 | 0 | 0 | 109.3 | Y296 F300 S301 E303 F359 | Y296-P298 HydrophobicContact CD1-CG 3.83Å; Y296-P298 HydrophobicContact CE1-CB 3.78Å; Y296-P298 HydrophobicContact CE1-CG 3.49Å; Y296-P298 VanDerWaalsContact CE1-CG 3.49Å; P298-F300 HydrophobicContact CB-CD1 4.28Å; P298-F300 HydrophobicContact CB-CD2 3.98Å; P298-F300 HydrophobicContact CB-CE1 3.88Å; P298-F300 HydrophobicContact CB-CE2 3.55Å; P298-F300 HydrophobicContact CB-CG 4.33Å; P298-F300 HydrophobicContact CB-CZ 3.5Å; P298-F300 HydrophobicContact CG-CE2 4.42Å; P298-F300 PolarHBondContact O-N 2.88Å; P298-S301 PolarHBondContact O-N 3.03Å; P298-S301 VanDerWaalsContact O-N 3.16Å; P298-E303 WeakPolarHBondContact CD-O 3.43Å; P298-F359 HydrophobicContact CG-CD1 4Å; P298-F359 HydrophobicContact CG-CD2 4.42Å; P298-F359 HydrophobicContact CG-CE1 3.91Å; P298-F359 HydrophobicContact CG-CE2 4.31Å; P298-F359 HydrophobicContact CG-CG 4.26Å; P298-F359 HydrophobicContact CG-CZ 4.07Å | ||
| 299 | Q | 87.1 | Confident | 90.4 | Very high | 190 Ų | 190 | 58 Ų | 58 | 89% | 0.888 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.3 | 179.7 | -68.5 | 176.8 | -9.7 | 0 | 0 | 112.6 | K297 | K297-Q299 PolarHBondContact O-N 3.32Š|
| 300 | F | 88.6 | Confident | 90.6 | Very high | 74 Ų | 74 | 56.5 Ų | 56.5 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 5.3 | -179.3 | 51.5 | -97 | 0 | 0 | 0 | 113 | P298 F359 E374 L377 | P298-F300 HydrophobicContact CB-CD1 4.28Å; P298-F300 HydrophobicContact CB-CD2 3.98Å; P298-F300 HydrophobicContact CB-CE1 3.88Å; P298-F300 HydrophobicContact CB-CE2 3.55Å; P298-F300 HydrophobicContact CB-CG 4.33Å; P298-F300 HydrophobicContact CB-CZ 3.5Å; P298-F300 HydrophobicContact CG-CE2 4.42Å; P298-F300 PolarHBondContact O-N 2.88Å; F300-F359 AromaticContact CE2-CD2 3.6Å; F300-F359 HydrophobicContact CE2-CD2 3.6Å; F300-F359 HydrophobicContact CE2-CE2 4.07Å; F300-F359 HydrophobicContact CE2-CG 4.36Å; F300-F359 HydrophobicContact CZ-CD2 4.15Å; F300-F359 HydrophobicContact CZ-CE2 4.15Å; F300-E374 HydrophobicContact CB-CG 4.39Å; F300-E374 HydrophobicContact CD1-CB 4.27Å; F300-E374 HydrophobicContact CD1-CG 3.92Å; F300-E374 HydrophobicContact CD2-CB 4.08Å; F300-E374 HydrophobicContact CD2-CG 3.67Å; F300-E374 HydrophobicContact CE1-CB 3.9Å; F300-E374 HydrophobicContact CE1-CG 4.08Å; F300-E374 HydrophobicContact CE2-CB 3.68Å; F300-E374 HydrophobicContact CE2-CG 3.83Å; F300-E374 HydrophobicContact CG-CB 4.36Å; F300-E374 HydrophobicContact CG-CG 3.71Å; F300-E374 HydrophobicContact CZ-CB 3.58Å; F300-E374 HydrophobicContact CZ-CG 4.03Å; F300-L377 HydrophobicContact CD1-CD1 4.33Å; F300-L377 HydrophobicContact CE1-CB 4.23Å; F300-L377 HydrophobicContact CE1-CD1 4.23Å |
| 301 | S | 86.7 | Confident | 90.7 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | trans | -133.2 | 147.2 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 111 | P298 E303 | P298-S301 PolarHBondContact O-N 3.03Å; P298-S301 VanDerWaalsContact O-N 3.16Å; S301-E303 VanDerWaalsContact C-N 3.28Å; S301-E303 PolarHBondContact OG-N 3.48Å; S301-E303 VanDerWaalsContact OG-N 3.12Å | ||
| 302 | K | 82.3 | Confident | 90.6 | Very high | 213 Ų | 213 | 52.7 Ų | 52.7 | 93% | 0.926 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -79.3 | -18 | 171.3 | -64.6 | -175.6 | -179.4 | -179.7 | 0 | 111.9 | ||
| 303 | E | 83.8 | Confident | 90.1 | Very high | 110 Ų | 110 | 54.4 Ų | 54.4 | 51% | 0.514 | 26% | 0.258 | S | S | . | . | trans | -80.3 | 132.7 | -176.1 | -62.5 | -176.3 | 171.1 | 0 | 0 | 111.4 | P298 S301 | P298-E303 WeakPolarHBondContact CD-O 3.43Å; S301-E303 VanDerWaalsContact C-N 3.28Å; S301-E303 PolarHBondContact OG-N 3.48Å; S301-E303 VanDerWaalsContact OG-N 3.12Å | ||
| 304 | K | 88.9 | Confident | 89.3 | Confident | 113 Ų | 113 | 61.5 Ų | 61.5 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | trans | -89.2 | 136.1 | 166.4 | -69.3 | 179 | -177.8 | 178.6 | 0 | 108.2 | V295 K297 L473 | V295-K304 HydrophobicContact CG1-CB 3.9Å; V295-K304 HydrophobicContact CG1-CD 4.19Å; V295-K304 HydrophobicContact CG1-CG 4.28Å; K297-K304 HydrophobicContact CB-CG 4.34Å; K297-K304 HydrophobicContact CD-CG 4.5Å; K297-K304 HydrophobicContact CG-CG 4.24Å; K304-L473 HydrophobicContact CB-CD1 3.81Å; K304-L473 HydrophobicContact CD-CD1 4.34Å | ||
| 305 | V | 91.1 | Very high | 88.4 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.8 | -177.8 | -178.6 | 0 | 0 | 0 | 0 | 110 | Y296 I355 E356 F359 | Y296-V305 PolarHBondContact N-O 3.1Å; Y296-V305 PolarHBondContact O-N 2.95Å; V305-I355 HydrophobicContact CG1-CD1 4.07Å; V305-I355 HydrophobicContact CG1-CG1 3.66Å; V305-E356 VanDerWaalsContact CG1-O 3.22Å; V305-E356 WeakPolarHBondContact CG1-O 3.42Å; V305-F359 HydrophobicContact CB-CE1 4.29Å; V305-F359 HydrophobicContact CG2-CD1 3.86Å; V305-F359 HydrophobicContact CG2-CE1 3.61Å |
| 306 | K | 92.5 | Very high | 87.4 | Confident | 69 Ų | 69 | 71 Ų | 71 | 30% | 0.3 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 132.2 | 173.6 | -176.9 | 175.6 | 179.1 | 173.8 | 0 | 109.4 | H293 L473 | H293-K306 VanDerWaalsContact CD2-CE 3.42Å; H293-K306 WeakPolarHBondContact CD2-CE 3.11Å; H293-K306 PolarHBondContact CD2-NZ 3.06Å; H293-K306 WeakPolarHBondContact CE1-CE 3.41Å; H293-K306 PolarHBondContact CE1-NZ 2.75Å; H293-K306 WeakPolarHBondContact ND1-CE 3.38Å; H293-K306 WeakPolarHBondContact NE2-CE 3.35Å; H293-K306 PolarHBondContact NE2-NZ 3.14Å; K306-L473 HydrophobicContact CB-CD2 4.35Å |
| 307 | V | 95.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.9 | 171 | -170.6 | 0 | 0 | 0 | 0 | 107.3 | H293 D294 F309 I354 I355 L382 K385 | H293-V307 CarbonylContact C-O 3.6Å; H293-V307 WeakPolarHBondContact CA-O 3.21Å; D294-V307 PolarHBondContact N-O 3.32Å; D294-V307 PolarHBondContact O-N 3.14Å; V307-F309 HydrophobicContact CB-CE2 4.18Å; V307-F309 HydrophobicContact CG1-CD2 4.15Å; V307-F309 HydrophobicContact CG1-CE1 4.18Å; V307-F309 HydrophobicContact CG1-CE2 3.47Å; V307-F309 VanDerWaalsContact CG1-CE2 3.47Å; V307-F309 HydrophobicContact CG1-CZ 3.5Å; V307-I354 WeakPolarHBondContact CA-O 3.5Å; V307-I355 HydrophobicContact CG2-CD1 3.95Å; V307-I355 HydrophobicContact CG2-CG1 4.28Å; V307-L382 HydrophobicContact CG1-CD2 3.81Å; V307-L382 HydrophobicContact CG2-CD2 4.13Å; V307-K385 HydrophobicContact CG2-CD 4.48Å |
| 308 | T | 95.8 | Very high | 86.4 | Confident | 14 Ų | 14 | 67 Ų | 67 | 9% | 0.086 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.1 | 177.4 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | I291 E292 H293 G353 I354 | I291-T308 HydrophobicContact CG2-CG2 3.64Å; E292-T308 CarbonylContact O-C 3.58Å; E292-T308 WeakPolarHBondContact O-CA 3.39Å; H293-T308 PolarHBondContact CE1-OG1 3.45Å; H293-T308 VanDerWaalsContact CE1-OG1 3.3Å; H293-T308 PolarHBondContact ND1-OG1 3.49Å; T308-G353 CarbonylContact O-C 3.57Å; T308-G353 VanDerWaalsContact O-CA 3.31Å; T308-G353 WeakPolarHBondContact O-CA 3.34Å; T308-I354 PolarHBondContact N-O 3.12Å; T308-I354 PolarHBondContact O-N 3.36Å |
| 309 | F | 96.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.6 | 172.2 | -67 | -74.2 | 0 | 0 | 0 | 110.1 | I291 E292 D294 V307 I321 V351 I352 K385 L386 Y389 | I291-F309 CarbonylContact C-O 3.52Å; I291-F309 VanDerWaalsContact CA-O 3.32Å; I291-F309 WeakPolarHBondContact CA-O 3.47Å; E292-F309 PolarHBondContact N-O 2.91Å; E292-F309 PolarHBondContact O-N 3.29Å; D294-F309 HydrophobicContact CB-CE2 4.41Å; V307-F309 HydrophobicContact CB-CE2 4.18Å; V307-F309 HydrophobicContact CG1-CD2 4.15Å; V307-F309 HydrophobicContact CG1-CE1 4.18Å; V307-F309 HydrophobicContact CG1-CE2 3.47Å; V307-F309 VanDerWaalsContact CG1-CE2 3.47Å; V307-F309 HydrophobicContact CG1-CZ 3.5Å; F309-I321 HydrophobicContact CE1-CD1 3.93Å; F309-V351 HydrophobicContact CD1-CG1 4.22Å; F309-I352 WeakPolarHBondContact CA-O 3.25Å; F309-K385 HydrophobicContact CE2-CB 3.86Å; F309-K385 HydrophobicContact CZ-CB 3.96Å; F309-L386 HydrophobicContact CD1-CD1 4.45Å; F309-L386 HydrophobicContact CE1-CB 3.81Å; F309-L386 HydrophobicContact CE1-CD1 4.04Å; F309-L386 HydrophobicContact CE1-CG 4.15Å; F309-L386 HydrophobicContact CZ-CB 4.12Å; F309-Y389 HydrophobicContact CB-CD1 3.76Å; F309-Y389 HydrophobicContact CB-CD2 3.47Å; F309-Y389 VanDerWaalsContact CB-CD2 3.47Å; F309-Y389 HydrophobicContact CB-CE1 3.94Å; F309-Y389 HydrophobicContact CB-CE2 3.63Å; F309-Y389 HydrophobicContact CB-CG 3.52Å; F309-Y389 HydrophobicContact CD2-CG 4.33Å; F309-Y389 HydrophobicContact CG-CD1 4.25Å; F309-Y389 HydrophobicContact CG-CD2 4.27Å; F309-Y389 AromaticContact CG-CG 3.95Å; F309-Y389 HydrophobicContact CG-CG 3.95Å |
| 310 | G | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 163.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T289 V351 I352 Y389 | T289-G310 WeakPolarHBondContact O-CA 3.46Å; G310-V351 WeakPolarHBondContact O-CA 3.33Å; G310-I352 PolarHBondContact N-O 2.82Å; G310-I352 PolarHBondContact O-N 2.78Å; G310-Y389 WeakPolarHBondContact CA-OH 3.25Å |
| 311 | V | 91.3 | Very high | 87.3 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129.8 | 175.3 | -177 | 0 | 0 | 0 | 0 | 109.4 | T289 P313 Y389 V393 | T289-V311 PolarHBondContact N-O 3.36Å; T289-V311 PolarHBondContact O-N 2.93Å; T289-V311 PolarHBondContact OG1-O 2.87Å; V311-P313 VanDerWaalsContact O-CD 3.25Å; V311-P313 WeakPolarHBondContact O-CD 3.48Å; V311-Y389 PolarHBondContact N-OH 2.92Å; V311-V393 HydrophobicContact CG2-CG1 4.48Å |
| 312 | N | 89 | Confident | 87.8 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.112 | 25% | 0.245 | C | C | . | . | trans | -69.4 | 114.4 | 173.6 | -175.1 | -14.9 | 0 | 0 | 0 | 110 | K314 K315 H318 G350 I352 | N312-K314 PolarHBondContact OD1-N 3.06Å; N312-K314 VanDerWaalsContact OD1-N 3.12Å; N312-K315 PolarHBondContact ND2-O 3.11Å; N312-K315 PolarHBondContact OD1-N 3.29Å; N312-H318 PolarHBondContact ND2-O 2.98Å; N312-G350 WeakPolarHBondContact CB-O 3.47Å; N312-G350 PolarHBondContact N-O 3.04Å; N312-I352 HydrophobicContact CB-CD1 3.91Å; N312-I352 HydrophobicContact CB-CG1 4.41Å | ||
| 313 | P | 81.1 | Confident | 88.5 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 42% | 0.422 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -75.5 | -28.9 | -176.3 | 27.9 | -31.7 | 0 | 0 | 0 | 113.1 | S287 T289 V311 | S287-P313 WeakPolarHBondContact O-CD 3.35Å; T289-P313 HydrophobicContact CG2-CB 3.88Å; T289-P313 HydrophobicContact CG2-CG 4.1Å; V311-P313 VanDerWaalsContact O-CD 3.25Å; V311-P313 WeakPolarHBondContact O-CD 3.48Å |
| 314 | K | 73.4 | Confident | 89.2 | Confident | 191 Ų | 191 | 37.9 Ų | 37.9 | 83% | 0.83 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -94.5 | -52.2 | -168.1 | -64.1 | -173.4 | -180 | -172 | 0 | 113.6 | N312 | N312-K314 PolarHBondContact OD1-N 3.06Å; N312-K314 VanDerWaalsContact OD1-N 3.12Å |
| 315 | K | 72.9 | Confident | 89.5 | Confident | 81 Ų | 81 | 33 Ų | 33 | 35% | 0.352 | 16% | 0.156 | S | C | . | . | trans | -124.6 | 82.5 | -173.1 | -66.4 | -169.9 | 178.3 | -171.2 | 0 | 109.7 | D252 N312 E317 H318 | D252-K315 IonicContact OD1-NZ 3.46Å; D252-K315 PolarHBondContact OD1-NZ 3.31Å; D252-K315 IonicContact OD2-NZ 3.84Å; D252-K315 PolarHBondContact OD2-NZ 2.91Å; N312-K315 PolarHBondContact ND2-O 3.11Å; N312-K315 PolarHBondContact OD1-N 3.29Å; K315-E317 PolarHBondContact O-N 2.92Å; K315-H318 HydrophobicContact CB-CB 4.39Å; K315-H318 PolarHBondContact O-N 3.07Å | ||
| 316 | K | 72 | Confident | 89.6 | Confident | 143 Ų | 143 | 35 Ų | 35 | 62% | 0.622 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.4 | -176 | -66.9 | -178 | -178.4 | 173.3 | 0 | 113.8 | Y319 I349 G350 | K316-Y319 VanDerWaalsContact O-CD1 3.26Å; K316-Y319 WeakPolarHBondContact O-CD1 3.46Å; K316-I349 WeakPolarHBondContact O-CG2 3.14Å; K316-G350 WeakPolarHBondContact O-CA 3.48Å; K316-G350 PolarHBondContact O-N 3.12Å |
| 317 | E | 76.6 | Confident | 89.7 | Confident | 62 Ų | 62 | 33.4 Ų | 33.4 | 29% | 0.29 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -25.5 | 173.9 | 53.5 | 178.4 | 175.9 | 0 | 0 | 114 | Q248 N249 K315 Y319 | Q248-E317 HydrophobicContact CG-CB 4.34Å; N249-E317 PolarHBondContact N-OE2 3.47Å; N249-E317 PolarHBondContact ND2-OE2 2.97Å; K315-E317 PolarHBondContact O-N 2.92Å; E317-Y319 VanDerWaalsContact O-CD1 3.27Å; E317-Y319 WeakPolarHBondContact O-CD1 3.34Å; E317-Y319 PolarHBondContact O-N 2.95Å |
| 318 | H | 85.9 | Confident | 89.8 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.046 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -94.5 | 99.2 | 177.5 | -59.3 | 172.2 | 0 | 0 | 0 | 109.7 | D252 N312 K315 Y333 | D252-H318 IonicContact OD1-CE1 3.97Å; N312-H318 PolarHBondContact ND2-O 2.98Å; K315-H318 HydrophobicContact CB-CB 4.39Å; K315-H318 PolarHBondContact O-N 3.07Å; H318-Y333 HydrophobicContact CB-CE1 3.97Å |
| 319 | Y | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -150.8 | 168.7 | -175.3 | 69.5 | -95.6 | 0 | 0 | 0 | 111.8 | R245 Q248 K316 E317 Y333 K335 Q339 I349 V351 | R245-Y319 PolarHBondContact NE-OH 3.16Å; Q248-Y319 PolarHBondContact NE2-OH 3.03Å; Q248-Y319 VanDerWaalsContact NE2-OH 3.1Å; K316-Y319 VanDerWaalsContact O-CD1 3.26Å; K316-Y319 WeakPolarHBondContact O-CD1 3.46Å; E317-Y319 VanDerWaalsContact O-CD1 3.27Å; E317-Y319 WeakPolarHBondContact O-CD1 3.34Å; E317-Y319 PolarHBondContact O-N 2.95Å; Y319-Y333 WeakPolarHBondContact O-CB 3.41Å; Y319-K335 HydrophobicContact CD2-CD 4.2Å; Y319-K335 HydrophobicContact CE2-CD 3.81Å; Y319-K335 VanDerWaalsContact CE2-NZ 3.32Å; Y319-K335 PolarHBondContact O-NZ 2.83Å; Y319-Q339 HydrophobicContact CD2-CG 4.2Å; Y319-Q339 VanDerWaalsContact CD2-NE2 3.29Å; Y319-Q339 HydrophobicContact CE2-CB 4.06Å; Y319-Q339 HydrophobicContact CE2-CG 3.9Å; Y319-I349 HydrophobicContact CD1-CG2 4.19Å; Y319-I349 HydrophobicContact CE1-CB 4.24Å; Y319-I349 HydrophobicContact CE1-CG1 4.19Å; Y319-I349 HydrophobicContact CE1-CG2 3.87Å; Y319-V351 WeakPolarHBondContact CB-O 3.41Å | ||
| 320 | G | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.2 | -170.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E334 V351 I352 G353 | G320-E334 CarbonylContact C-O 3.53Å; G320-E334 WeakPolarHBondContact CA-O 3.27Å; G320-V351 PolarHBondContact N-O 2.93Å; G320-I352 VanDerWaalsContact O-CA 3.29Å; G320-I352 WeakPolarHBondContact O-CA 3.4Å; G320-G353 PolarHBondContact O-N 3.27Å |
| 321 | I | 97.2 | Very high | 90 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.8 | -178.7 | -48.6 | -57.8 | 0 | 0 | 0 | 110.7 | F309 M323 A332 Y333 E334 V336 G353 I355 L382 L386 | F309-I321 HydrophobicContact CE1-CD1 3.93Å; I321-M323 HydrophobicContact CB-CG 4.45Å; I321-M323 HydrophobicContact CG2-CG 3.73Å; I321-A332 CarbonylContact O-C 3.58Å; I321-Y333 PolarHBondContact O-N 2.69Å; I321-Y333 VanDerWaalsContact O-N 3.08Å; I321-E334 HydrophobicContact CB-CB 4.35Å; I321-E334 PolarHBondContact N-O 2.9Å; I321-E334 PolarHBondContact O-N 2.73Å; I321-V336 HydrophobicContact CD1-CG2 3.7Å; I321-V336 HydrophobicContact CG1-CB 4.37Å; I321-V336 HydrophobicContact CG1-CG1 3.91Å; I321-V336 HydrophobicContact CG1-CG2 3.5Å; I321-G353 CarbonylContact C-O 3.33Å; I321-G353 WeakPolarHBondContact CA-O 3.4Å; I321-I355 HydrophobicContact CG2-CG2 3.88Å; I321-L382 HydrophobicContact CG2-CD1 4.12Å; I321-L386 HydrophobicContact CD1-CD1 3.88Å |
| 322 | M | 97.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.5 | 166.8 | -53 | -62.2 | -70.2 | 0 | 0 | 108.1 | I263 Y324 L329 A332 Y333 I352 G353 I354 I355 | I263-M322 HydrophobicContact CD1-CE 3.89Å; M322-Y324 HydrophobicContact CB-CD2 4.43Å; M322-Y324 HydrophobicContact CB-CE2 3.8Å; M322-L329 HydrophobicContact CE-CD1 3.87Å; M322-L329 HydrophobicContact CE-CD2 4.21Å; M322-A332 HydrophobicContact CE-CB 3.76Å; M322-A332 HydrophobicContact SD-CB 3.85Å; M322-Y333 HydrophobicContact SD-CD1 4.02Å; M322-Y333 HydrophobicContact SD-CE1 3.99Å; M322-Y333 HydrophobicContact SD-CG 4.33Å; M322-I352 HydrophobicContact CG-CG2 3.88Å; M322-G353 PolarHBondContact N-O 3.04Å; M322-I354 HydrophobicContact CB-CG1 4.17Å; M322-I354 HydrophobicContact CG-CG1 4.35Å; M322-I354 WeakPolarHBondContact O-CA 3.34Å; M322-I355 PolarHBondContact O-N 3.26Å; M322-I355 VanDerWaalsContact O-N 3.09Å |
| 323 | M | 98.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.5 | -178.7 | -56.6 | -177 | 72.7 | 0 | 0 | 109.6 | I321 I330 K331 I355 L360 F369 Y375 T378 L379 | I321-M323 HydrophobicContact CB-CG 4.45Å; I321-M323 HydrophobicContact CG2-CG 3.73Å; M323-I330 PolarHBondContact O-N 3.02Å; M323-K331 HydrophobicContact CB-CB 4.25Å; M323-K331 PolarHBondContact N-O 3.24Å; M323-K331 PolarHBondContact O-N 3.43Å; M323-I355 HydrophobicContact CB-CG2 4.49Å; M323-I355 HydrophobicContact CG-CG2 4.09Å; M323-L360 HydrophobicContact CE-CD1 4.23Å; M323-F369 HydrophobicContact CB-CE2 3.77Å; M323-F369 HydrophobicContact CB-CZ 4.36Å; M323-F369 HydrophobicContact CE-CD2 4.16Å; M323-F369 HydrophobicContact CE-CE2 3.82Å; M323-F369 HydrophobicContact SD-CE2 4.23Å; M323-Y375 HydrophobicContact CE-CD2 4.41Å; M323-Y375 HydrophobicContact CE-CE2 4Å; M323-Y375 HydrophobicContact SD-CE2 4.21Å; M323-T378 HydrophobicContact CE-CG2 4.42Å; M323-L379 HydrophobicContact SD-CD2 4.08Å |
| 324 | Y | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 160.1 | 175.3 | -67.6 | -97.8 | 0 | 0 | 0 | 110.5 | I263 L266 M322 R328 L329 I354 I355 E356 C357 | I263-Y324 PolarHBondContact O-OH 3.05Å; I263-Y324 VanDerWaalsContact O-OH 3.05Å; L266-Y324 HydrophobicContact CB-CD1 3.58Å; L266-Y324 HydrophobicContact CB-CD2 4.26Å; L266-Y324 HydrophobicContact CB-CE1 3.79Å; L266-Y324 HydrophobicContact CB-CE2 4.42Å; L266-Y324 HydrophobicContact CB-CG 3.85Å; L266-Y324 HydrophobicContact CD1-CD2 4.06Å; L266-Y324 HydrophobicContact CD1-CE2 3.95Å; L266-Y324 HydrophobicContact CD1-CG 4.48Å; M322-Y324 HydrophobicContact CB-CD2 4.43Å; M322-Y324 HydrophobicContact CB-CE2 3.8Å; Y324-R328 CarbonylContact C-O 3.52Å; Y324-R328 VanDerWaalsContact CA-O 3.26Å; Y324-R328 WeakPolarHBondContact CA-O 3.29Å; Y324-R328 VanDerWaalsContact CD1-C 3.49Å; Y324-L329 VanDerWaalsContact CD1-CA 3.45Å; Y324-L329 HydrophobicContact CD1-CB 3.93Å; Y324-L329 HydrophobicContact CD1-CD1 4.47Å; Y324-L329 HydrophobicContact CD2-CD1 4.45Å; Y324-L329 HydrophobicContact CE1-CB 3.62Å; Y324-L329 HydrophobicContact CE1-CD1 4.1Å; Y324-L329 HydrophobicContact CE1-CG 4.42Å; Y324-L329 HydrophobicContact CE2-CD1 4.1Å; Y324-I354 HydrophobicContact CD2-CG2 4.18Å; Y324-I354 HydrophobicContact CE2-CG2 4.07Å; Y324-I355 PolarHBondContact N-O 3.31Å; Y324-E356 CarbonylContact O-C 3.44Å; Y324-E356 WeakPolarHBondContact O-CA 3.37Å; Y324-C357 PolarHBondContact O-N 3.12Å |
| 325 | H | 95.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.056 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 119.2 | 168.3 | 168.6 | -81 | 0 | 0 | 0 | 107.3 | N327 R328 I330 C357 L360 P362 F369 | H325-N327 PolarHBondContact O-N 3.33Å; H325-R328 PolarHBondContact N-O 3Å; H325-R328 WeakPolarHBondContact O-CB 3.41Å; H325-R328 PolarHBondContact O-N 2.84Å; H325-I330 HydrophobicContact CB-CD1 4.21Å; H325-I330 HydrophobicContact CB-CG1 3.65Å; H325-C357 PolarHBondContact CD2-O 3.4Å; H325-L360 PolarHBondContact CD2-O 2.88Å; H325-L360 VanDerWaalsContact CD2-O 3.25Å; H325-L360 PolarHBondContact NE2-O 3.39Å; H325-P362 HydrophobicContact CB-CG 4.2Å; H325-F369 HydrophobicContact CB-CE1 4.07Å; H325-F369 HydrophobicContact CB-CZ 4.28Å |
| 326 | R | 92.8 | Very high | 92.8 | Very high | 56 Ų | 56 | 21.8 Ų | 21.8 | 21% | 0.211 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 59.1 | -176.9 | -58.4 | 178 | -175.9 | -168.3 | -1.8 | 111.8 | Q96 A97 L100 R328 E356 N358 | Q96-R326 HydrophobicContact CB-CG 4.2Å; A97-R326 WeakPolarHBondContact O-CD 3.25Å; A97-R326 PolarHBondContact O-NH1 2.95Å; L100-R326 VanDerWaalsContact CD2-NH1 3.29Å; R326-R328 PolarHBondContact O-N 2.93Å; R326-E356 WeakPolarHBondContact CA-OE1 3.4Å; R326-E356 PolarHBondContact N-OE1 3.13Å; R326-N358 WeakPolarHBondContact CA-OD1 3.34Å; R326-N358 PolarHBondContact N-OD1 2.72Å |
| 327 | N | 94.9 | Very high | 93.8 | Very high | 36 Ų | 36 | 16 Ų | 16 | 19% | 0.193 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | -6.9 | -177.7 | -162.3 | 38 | 0 | 0 | 0 | 115.3 | Y265 L266 K267 H325 E356 | Y265-N327 CarbonylContact C-O 3.43Å; Y265-N327 WeakPolarHBondContact CA-O 3.36Å; L266-N327 WeakPolarHBondContact CB-OD1 3.42Å; L266-N327 PolarHBondContact N-O 2.94Å; L266-N327 PolarHBondContact N-OD1 2.64Å; K267-N327 WeakPolarHBondContact CA-OD1 3.46Å; K267-N327 PolarHBondContact N-OD1 2.89Å; K267-N327 PolarHBondContact O-ND2 2.88Å; K267-N327 PolarHBondContact O-OD1 3.47Å; H325-N327 PolarHBondContact O-N 3.33Å; N327-E356 PolarHBondContact N-OE1 3.43Å |
| 328 | R | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 0% | 0.004 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.8 | -173.7 | 174 | 55.6 | 156.8 | 61.3 | 13.6 | 112 | D38 I98 Y265 Y324 H325 R326 I330 K366 | D38-R328 WeakPolarHBondContact OD1-CD 3.31Å; D38-R328 IonicContact OD1-CZ 2.82Å; D38-R328 IonicContact OD1-NE 3.17Å; D38-R328 PolarHBondContact OD1-NE 3.39Å; D38-R328 IonicContact OD1-NH2 3.69Å; D38-R328 IonicContact OD2-CZ 3.77Å; D38-R328 IonicContact OD2-NE 2.7Å; D38-R328 PolarHBondContact OD2-NE 3.33Å; D38-R328 VanDerWaalsContact OD2-NE 3.14Å; D38-R328 IonicContact OD2-NH2 2.62Å; D38-R328 PolarHBondContact OD2-NH2 2.83Å; I98-R328 HydrophobicContact CD1-CB 4.1Å; I98-R328 HydrophobicContact CG1-CB 4.19Å; I98-R328 HydrophobicContact CG2-CB 4.15Å; I98-R328 HydrophobicContact CG2-CG 4.06Å; Y265-R328 HydrophobicContact CD1-CB 4.49Å; Y265-R328 HydrophobicContact CE1-CB 4.38Å; Y324-R328 CarbonylContact C-O 3.52Å; Y324-R328 VanDerWaalsContact CA-O 3.26Å; Y324-R328 WeakPolarHBondContact CA-O 3.29Å; Y324-R328 VanDerWaalsContact CD1-C 3.49Å; H325-R328 PolarHBondContact N-O 3Å; H325-R328 WeakPolarHBondContact O-CB 3.41Å; H325-R328 PolarHBondContact O-N 2.84Å; R326-R328 PolarHBondContact O-N 2.93Å; R328-I330 HydrophobicContact CG-CD1 4.46Å; R328-I330 PolarHBondContact O-N 2.8Å; R328-K366 PolarHBondContact NH1-O 3.49Å |
| 329 | L | 97.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.016 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 125.9 | 177.2 | -179.5 | 63 | 0 | 0 | 0 | 109.7 | M253 Y260 I263 L264 M322 Y324 K331 A332 | M253-L329 HydrophobicContact CE-CD2 4.47Å; Y260-L329 HydrophobicContact CE2-CD2 4.19Å; I263-L329 HydrophobicContact CD1-CD2 4.13Å; I263-L329 HydrophobicContact CG1-CD2 4.12Å; L264-L329 WeakPolarHBondContact O-CB 3.31Å; L264-L329 PolarHBondContact O-N 3.06Å; M322-L329 HydrophobicContact CE-CD1 3.87Å; M322-L329 HydrophobicContact CE-CD2 4.21Å; Y324-L329 VanDerWaalsContact CD1-CA 3.45Å; Y324-L329 HydrophobicContact CD1-CB 3.93Å; Y324-L329 HydrophobicContact CD1-CD1 4.47Å; Y324-L329 HydrophobicContact CD2-CD1 4.45Å; Y324-L329 HydrophobicContact CE1-CB 3.62Å; Y324-L329 HydrophobicContact CE1-CD1 4.1Å; Y324-L329 HydrophobicContact CE1-CG 4.42Å; Y324-L329 HydrophobicContact CE2-CD1 4.1Å; L329-K331 WeakPolarHBondContact CD1-O 3.41Å; L329-A332 HydrophobicContact CD1-CB 4.31Å; L329-A332 HydrophobicContact CD2-CB 4.25Å |
| 330 | I | 97.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -47.5 | 175.1 | -58.5 | -55.8 | 0 | 0 | 0 | 110.2 | M323 H325 R328 P362 K366 Q367 D368 F369 | M323-I330 PolarHBondContact O-N 3.02Å; H325-I330 HydrophobicContact CB-CD1 4.21Å; H325-I330 HydrophobicContact CB-CG1 3.65Å; R328-I330 HydrophobicContact CG-CD1 4.46Å; R328-I330 PolarHBondContact O-N 2.8Å; I330-P362 HydrophobicContact CD1-CB 4.03Å; I330-P362 HydrophobicContact CD1-CG 3.98Å; I330-P362 HydrophobicContact CG1-CG 4.36Å; I330-K366 HydrophobicContact CD1-CB 4.05Å; I330-Q367 CarbonylContact O-C 3.51Å; I330-Q367 VanDerWaalsContact O-C 3.22Å; I330-Q367 WeakPolarHBondContact O-CA 3.5Å; I330-Q367 VanDerWaalsContact O-O 3.09Å; I330-D368 VanDerWaalsContact CG2-C 3.43Å; I330-D368 WeakPolarHBondContact CG2-O 3.18Å; I330-F369 HydrophobicContact CB-CD2 4.47Å; I330-F369 HydrophobicContact CB-CE1 4.34Å; I330-F369 HydrophobicContact CB-CE2 3.74Å; I330-F369 HydrophobicContact CB-CZ 3.67Å; I330-F369 HydrophobicContact CG1-CE1 4.09Å; I330-F369 HydrophobicContact CG1-CE2 4.34Å; I330-F369 HydrophobicContact CG1-CZ 3.74Å; I330-F369 HydrophobicContact CG2-CD1 4.37Å; I330-F369 HydrophobicContact CG2-CD2 3.83Å; I330-F369 HydrophobicContact CG2-CE1 4.19Å; I330-F369 HydrophobicContact CG2-CE2 3.61Å; I330-F369 HydrophobicContact CG2-CG 4.22Å; I330-F369 HydrophobicContact CG2-CZ 3.81Å |
| 331 | K | 95.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 24.8 Ų | 24.8 | 16% | 0.161 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.4 | -178.5 | -155.7 | 173 | -165.5 | 178.8 | 0 | 110.5 | M323 L329 E334 D368 Y375 | M323-K331 HydrophobicContact CB-CB 4.25Å; M323-K331 PolarHBondContact N-O 3.24Å; M323-K331 PolarHBondContact O-N 3.43Å; L329-K331 WeakPolarHBondContact CD1-O 3.41Å; K331-E334 HydrophobicContact CD-CB 4.27Å; K331-E334 HydrophobicContact CD-CG 4.29Å; K331-E334 VanDerWaalsContact CE-CD 3.44Å; K331-E334 WeakPolarHBondContact CE-OE2 3.26Å; K331-E334 HydrophobicContact CG-CB 4.5Å; K331-E334 IonicContact NZ-OE1 3.4Å; K331-E334 PolarHBondContact NZ-OE1 3.08Å; K331-E334 IonicContact NZ-OE2 2.66Å; K331-E334 PolarHBondContact NZ-OE2 2.79Å; K331-E334 VanDerWaalsContact NZ-OE2 3.16Å; K331-D368 IonicContact NZ-OD1 2.89Å; K331-D368 IonicContact NZ-OD2 3.14Å; K331-Y375 PolarHBondContact NZ-OH 2.78Å |
| 332 | A | 94.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 7% | 0.074 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | M253 I321 M322 L329 E334 | M253-A332 HydrophobicContact CE-CB 3.86Å; M253-A332 HydrophobicContact SD-CB 3.46Å; M253-A332 WeakPolarHBondContact SD-CB 3.45Å; I321-A332 CarbonylContact O-C 3.58Å; M322-A332 HydrophobicContact CE-CB 3.76Å; M322-A332 HydrophobicContact SD-CB 3.85Å; L329-A332 HydrophobicContact CD1-CB 4.31Å; L329-A332 HydrophobicContact CD2-CB 4.25Å; A332-E334 PolarHBondContact O-N 2.96Å; A332-E334 VanDerWaalsContact O-N 3.14Å |
| 333 | Y | 92.8 | Very high | 90.1 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 14% | 0.141 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56 | 28.2 | 172.6 | -53.5 | -63.4 | 0 | 0 | 0 | 115.3 | P251 M253 H318 Y319 I321 M322 K335 I352 | P251-Y333 HydrophobicContact CB-CD2 4Å; P251-Y333 HydrophobicContact CB-CE2 3.57Å; P251-Y333 HydrophobicContact CG-CD2 3.69Å; P251-Y333 HydrophobicContact CG-CE2 3.75Å; P251-Y333 HydrophobicContact CG-CG 4.36Å; M253-Y333 HydrophobicContact CG-CE2 4.12Å; M253-Y333 HydrophobicContact SD-CD2 4.01Å; M253-Y333 HydrophobicContact SD-CE2 3.61Å; H318-Y333 HydrophobicContact CB-CE1 3.97Å; Y319-Y333 WeakPolarHBondContact O-CB 3.41Å; I321-Y333 PolarHBondContact O-N 2.69Å; I321-Y333 VanDerWaalsContact O-N 3.08Å; M322-Y333 HydrophobicContact SD-CD1 4.02Å; M322-Y333 HydrophobicContact SD-CE1 3.99Å; M322-Y333 HydrophobicContact SD-CG 4.33Å; Y333-K335 PolarHBondContact O-N 3.17Å; Y333-I352 HydrophobicContact CE1-CD1 4.43Å |
| 334 | E | 93.9 | Very high | 88 | Confident | 24 Ų | 24 | 36.8 Ų | 36.8 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 125.7 | 179.6 | -176.9 | 72.7 | 157.5 | 0 | 0 | 110.5 | G320 I321 K331 A332 Y375 L379 | G320-E334 CarbonylContact C-O 3.53Å; G320-E334 WeakPolarHBondContact CA-O 3.27Å; I321-E334 HydrophobicContact CB-CB 4.35Å; I321-E334 PolarHBondContact N-O 2.9Å; I321-E334 PolarHBondContact O-N 2.73Å; K331-E334 HydrophobicContact CD-CB 4.27Å; K331-E334 HydrophobicContact CD-CG 4.29Å; K331-E334 VanDerWaalsContact CE-CD 3.44Å; K331-E334 WeakPolarHBondContact CE-OE2 3.26Å; K331-E334 HydrophobicContact CG-CB 4.5Å; K331-E334 IonicContact NZ-OE1 3.4Å; K331-E334 PolarHBondContact NZ-OE1 3.08Å; K331-E334 IonicContact NZ-OE2 2.66Å; K331-E334 PolarHBondContact NZ-OE2 2.79Å; K331-E334 VanDerWaalsContact NZ-OE2 3.16Å; A332-E334 PolarHBondContact O-N 2.96Å; A332-E334 VanDerWaalsContact O-N 3.14Å; E334-Y375 PolarHBondContact OE1-OH 3.01Å; E334-L379 HydrophobicContact CG-CD2 3.92Å |
| 335 | K | 92.6 | Very high | 86.2 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 8% | 0.078 | 26% | 0.257 | C | S | . | . | trans | -81.3 | 132.3 | -177.6 | -54.3 | -55.1 | -177.4 | -175.2 | 0 | 110.3 | S243 Y319 Y333 Q339 L340 | S243-K335 VanDerWaalsContact O-CE 3.25Å; S243-K335 WeakPolarHBondContact O-CE 3.3Å; Y319-K335 HydrophobicContact CD2-CD 4.2Å; Y319-K335 HydrophobicContact CE2-CD 3.81Å; Y319-K335 VanDerWaalsContact CE2-NZ 3.32Å; Y319-K335 PolarHBondContact O-NZ 2.83Å; Y333-K335 PolarHBondContact O-N 3.17Å; K335-Q339 HydrophobicContact CB-CB 4.28Å; K335-Q339 HydrophobicContact CD-CB 4.44Å; K335-L340 HydrophobicContact CB-CD2 3.68Å; K335-L340 HydrophobicContact CB-CG 4.23Å | ||
| 336 | V | 94.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | trans | -138.4 | 156.6 | 178.2 | -60.1 | 0 | 0 | 0 | 0 | 112 | I321 C338 Q339 L379 L382 L386 | I321-V336 HydrophobicContact CD1-CG2 3.7Å; I321-V336 HydrophobicContact CG1-CB 4.37Å; I321-V336 HydrophobicContact CG1-CG1 3.91Å; I321-V336 HydrophobicContact CG1-CG2 3.5Å; V336-C338 PolarHBondContact O-N 2.86Å; V336-Q339 VanDerWaalsContact O-CB 3.31Å; V336-Q339 WeakPolarHBondContact O-CB 3.02Å; V336-Q339 PolarHBondContact O-N 3.45Å; V336-Q339 VanDerWaalsContact O-N 3.12Å; V336-L379 HydrophobicContact CG1-CD2 4.06Å; V336-L382 HydrophobicContact CG1-CB 4.45Å; V336-L382 HydrophobicContact CG2-CB 4.31Å; V336-L386 HydrophobicContact CG2-CB 4.23Å; V336-L386 HydrophobicContact CG2-CD1 3.89Å | ||
| 337 | G | 93.6 | Very high | 84.7 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 24% | 0.237 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | 58 | -129.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q339 L340 | G337-Q339 PolarHBondContact O-N 2.65Å; G337-Q339 VanDerWaalsContact O-N 3.16Å; G337-L340 PolarHBondContact O-N 2.81Å |
| 338 | C | 90.2 | Very high | 84.2 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -62 | -20.2 | -179.2 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | V336 L340 K341 V347 L386 N387 | V336-C338 PolarHBondContact O-N 2.86Å; C338-L340 PolarHBondContact O-N 2.8Å; C338-K341 PolarHBondContact O-N 3.39Å; C338-V347 HydrophobicContact CB-CB 4.28Å; C338-V347 HydrophobicContact CB-CG1 3.69Å; C338-L386 WeakPolarHBondContact SG-CD2 3.44Å; C338-N387 VanDerWaalsContact CB-OD1 3.22Å; C338-N387 WeakPolarHBondContact CB-OD1 3.33Å; C338-N387 PolarHBondContact N-OD1 3.36Å; C338-N387 PolarHBondContact SG-OD1 3.19Å |
| 339 | Q | 90.2 | Very high | 83.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -70.3 | -21.6 | 178 | -63.3 | 178.1 | -25.9 | 0 | 0 | 113.2 | R245 Y319 K335 V336 G337 G348 V351 L386 | R245-Q339 PolarHBondContact NH2-O 3.2Å; Y319-Q339 HydrophobicContact CD2-CG 4.2Å; Y319-Q339 VanDerWaalsContact CD2-NE2 3.29Å; Y319-Q339 HydrophobicContact CE2-CB 4.06Å; Y319-Q339 HydrophobicContact CE2-CG 3.9Å; K335-Q339 HydrophobicContact CB-CB 4.28Å; K335-Q339 HydrophobicContact CD-CB 4.44Å; V336-Q339 VanDerWaalsContact O-CB 3.31Å; V336-Q339 WeakPolarHBondContact O-CB 3.02Å; V336-Q339 PolarHBondContact O-N 3.45Å; V336-Q339 VanDerWaalsContact O-N 3.12Å; G337-Q339 PolarHBondContact O-N 2.65Å; G337-Q339 VanDerWaalsContact O-N 3.16Å; Q339-G348 PolarHBondContact NE2-O 3.27Å; Q339-V351 PolarHBondContact NE2-O 3.41Å; Q339-L386 HydrophobicContact CG-CD1 4.35Å; Q339-L386 HydrophobicContact CG-CD2 3.93Å |
| 340 | L | 87 | Confident | 83.4 | Confident | 112 Ų | 112 | 51.8 Ų | 51.8 | 59% | 0.586 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -80.2 | -17.8 | 175.7 | -67.8 | 168.2 | 0 | 0 | 0 | 112.6 | K335 G337 C338 A342 | K335-L340 HydrophobicContact CB-CD2 3.68Å; K335-L340 HydrophobicContact CB-CG 4.23Å; G337-L340 PolarHBondContact O-N 2.81Å; C338-L340 PolarHBondContact O-N 2.8Å; L340-A342 PolarHBondContact O-N 2.68Å |
| 341 | K | 80.4 | Confident | 83.3 | Confident | 132 Ų | 132 | 51.6 Ų | 51.6 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | trans | -71.8 | 127.8 | -178.5 | -63.4 | -175 | 177 | -173.7 | 0 | 109.9 | R245 C338 | R245-K341 PolarHBondContact NH2-O 3.43Å; C338-K341 PolarHBondContact O-N 3.39Å | ||
| 342 | A | 61.7 | Low | 83.3 | Confident | 100 Ų | 100 | 50.1 Ų | 50.1 | 83% | 0.826 | 29% | 0.285 | S | S | * | . | trans | -89.6 | -3.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L340 | L340-A342 PolarHBondContact O-N 2.68Š| ||
| 343 | S | 54.2 | Low | 83.5 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 47% | 0.469 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -62.2 | 140.1 | 177 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | Q345 | S343-Q345 PolarHBondContact O-N 3.05Š|
| 344 | G | 54.6 | Low | 83.7 | Confident | 88 Ų | 88 | 48.3 Ų | 48.3 | 91% | 0.907 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -57.7 | 8.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 345 | Q | 60.4 | Low | 83.9 | Confident | 136 Ų | 136 | 47.2 Ų | 47.2 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -80 | 123.8 | 169.1 | -64 | 179.7 | -21.7 | 0 | 0 | 109.9 | S343 V347 | S343-Q345 PolarHBondContact O-N 3.05Å; Q345-V347 HydrophobicContact CB-CG2 3.61Å; Q345-V347 PolarHBondContact O-N 2.8Å |
| 346 | R | 71.8 | Confident | 84 | Confident | 203 Ų | 203 | 49.3 Ų | 49.3 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | trans | -73.4 | 47.9 | 179.6 | -67.1 | -175.3 | 175.3 | -171 | -2.3 | 113.1 | I349 | R346-I349 HydrophobicContact CB-CD1 3.79Å; R346-I349 HydrophobicContact CB-CG1 4.46Å; R346-I349 HydrophobicContact CG-CD1 3.94Å | ||
| 347 | V | 84.1 | Confident | 84.1 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 24% | 0.242 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 129 | -174.3 | -166 | 0 | 0 | 0 | 0 | 110.6 | C338 Q345 I349 W390 | C338-V347 HydrophobicContact CB-CB 4.28Å; C338-V347 HydrophobicContact CB-CG1 3.69Å; Q345-V347 HydrophobicContact CB-CG2 3.61Å; Q345-V347 PolarHBondContact O-N 2.8Å; V347-I349 PolarHBondContact O-N 3.33Å; V347-W390 HydrophobicContact CG1-CG 4.31Å; V347-W390 VanDerWaalsContact CG1-NE1 3.34Å |
| 348 | G | 85.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 4 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q339 V351 W390 | Q339-G348 PolarHBondContact NE2-O 3.27Å; G348-V351 WeakPolarHBondContact O-CB 3.48Å; G348-V351 PolarHBondContact O-N 3.48Å; G348-W390 VanDerWaalsContact N-CE2 3.29Å |
| 349 | I | 88.2 | Confident | 84.2 | Confident | 44 Ų | 44 | 51.8 Ų | 51.8 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 136.9 | 174.9 | -63.5 | -174 | 0 | 0 | 0 | 109.4 | K316 Y319 R346 V347 V351 | K316-I349 WeakPolarHBondContact O-CG2 3.14Å; Y319-I349 HydrophobicContact CD1-CG2 4.19Å; Y319-I349 HydrophobicContact CE1-CB 4.24Å; Y319-I349 HydrophobicContact CE1-CG1 4.19Å; Y319-I349 HydrophobicContact CE1-CG2 3.87Å; R346-I349 HydrophobicContact CB-CD1 3.79Å; R346-I349 HydrophobicContact CB-CG1 4.46Å; R346-I349 HydrophobicContact CG-CD1 3.94Å; V347-I349 PolarHBondContact O-N 3.33Å; I349-V351 PolarHBondContact O-N 3.16Å |
| 350 | G | 89.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -8.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N312 K316 I352 | N312-G350 WeakPolarHBondContact CB-O 3.47Å; N312-G350 PolarHBondContact N-O 3.04Å; K316-G350 WeakPolarHBondContact O-CA 3.48Å; K316-G350 PolarHBondContact O-N 3.12Å; G350-I352 PolarHBondContact O-N 2.79Å |
| 351 | V | 94.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 121.3 | 178.3 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | F309 G310 Y319 G320 Q339 G348 I349 L386 Y389 W390 | F309-V351 HydrophobicContact CD1-CG1 4.22Å; G310-V351 WeakPolarHBondContact O-CA 3.33Å; Y319-V351 WeakPolarHBondContact CB-O 3.41Å; G320-V351 PolarHBondContact N-O 2.93Å; Q339-V351 PolarHBondContact NE2-O 3.41Å; G348-V351 WeakPolarHBondContact O-CB 3.48Å; G348-V351 PolarHBondContact O-N 3.48Å; I349-V351 PolarHBondContact O-N 3.16Å; V351-L386 HydrophobicContact CG1-CD1 3.97Å; V351-L386 HydrophobicContact CG1-CG 4.13Å; V351-Y389 HydrophobicContact CB-CE1 4.4Å; V351-Y389 HydrophobicContact CG1-CD1 3.69Å; V351-Y389 HydrophobicContact CG1-CE1 3.57Å; V351-Y389 HydrophobicContact CG2-CD1 4.36Å; V351-Y389 HydrophobicContact CG2-CE1 3.97Å; V351-W390 HydrophobicContact CG2-CE3 3.39Å; V351-W390 HydrophobicContact CG2-CZ3 3.73Å |
| 352 | I | 96.3 | Very high | 85.3 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.6 | 169.9 | -68.2 | 175.7 | 0 | 0 | 0 | 108.8 | V284 L288 F309 G310 N312 G320 M322 Y333 G350 I354 | V284-I352 HydrophobicContact CG1-CG2 4.43Å; L288-I352 HydrophobicContact CD1-CB 3.99Å; L288-I352 HydrophobicContact CD1-CG2 4.05Å; L288-I352 HydrophobicContact CD2-CB 3.94Å; L288-I352 HydrophobicContact CD2-CD1 3.82Å; L288-I352 HydrophobicContact CD2-CG1 4.34Å; L288-I352 HydrophobicContact CD2-CG2 4.35Å; F309-I352 WeakPolarHBondContact CA-O 3.25Å; G310-I352 PolarHBondContact N-O 2.82Å; G310-I352 PolarHBondContact O-N 2.78Å; N312-I352 HydrophobicContact CB-CD1 3.91Å; N312-I352 HydrophobicContact CB-CG1 4.41Å; G320-I352 VanDerWaalsContact O-CA 3.29Å; G320-I352 WeakPolarHBondContact O-CA 3.4Å; M322-I352 HydrophobicContact CG-CG2 3.88Å; Y333-I352 HydrophobicContact CE1-CD1 4.43Å; G350-I352 PolarHBondContact O-N 2.79Å; I352-I354 HydrophobicContact CG2-CD1 4.35Å; I352-I354 HydrophobicContact CG2-CG1 3.96Å |
| 353 | G | 97.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 144.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T308 G320 I321 M322 | T308-G353 CarbonylContact O-C 3.57Å; T308-G353 VanDerWaalsContact O-CA 3.31Å; T308-G353 WeakPolarHBondContact O-CA 3.34Å; G320-G353 PolarHBondContact O-N 3.27Å; I321-G353 CarbonylContact C-O 3.33Å; I321-G353 WeakPolarHBondContact CA-O 3.4Å; M322-G353 PolarHBondContact N-O 3.04Å |
| 354 | I | 98.2 | Very high | 88.3 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.7 | -178.6 | -57.2 | 158.2 | 0 | 0 | 0 | 108.3 | L266 V284 S285 L288 V307 T308 M322 Y324 I352 | L266-I354 HydrophobicContact CD1-CG2 3.64Å; V284-I354 HydrophobicContact CB-CD1 4.13Å; V284-I354 HydrophobicContact CG1-CD1 3.94Å; V284-I354 HydrophobicContact CG1-CG1 4.46Å; S285-I354 VanDerWaalsContact N-CD1 3.31Å; L288-I354 HydrophobicContact CD1-CD1 4.01Å; V307-I354 WeakPolarHBondContact CA-O 3.5Å; T308-I354 PolarHBondContact N-O 3.12Å; T308-I354 PolarHBondContact O-N 3.36Å; M322-I354 HydrophobicContact CB-CG1 4.17Å; M322-I354 HydrophobicContact CG-CG1 4.35Å; M322-I354 WeakPolarHBondContact O-CA 3.34Å; Y324-I354 HydrophobicContact CD2-CG2 4.18Å; Y324-I354 HydrophobicContact CE2-CG2 4.07Å; I352-I354 HydrophobicContact CG2-CD1 4.35Å; I352-I354 HydrophobicContact CG2-CG1 3.96Å |
| 355 | I | 97.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 142.6 | -179.4 | -175.1 | 173.7 | 0 | 0 | 0 | 110.3 | Y296 V305 V307 I321 M322 M323 Y324 L382 | Y296-I355 HydrophobicContact CD1-CD1 4.21Å; V305-I355 HydrophobicContact CG1-CD1 4.07Å; V305-I355 HydrophobicContact CG1-CG1 3.66Å; V307-I355 HydrophobicContact CG2-CD1 3.95Å; V307-I355 HydrophobicContact CG2-CG1 4.28Å; I321-I355 HydrophobicContact CG2-CG2 3.88Å; M322-I355 PolarHBondContact O-N 3.26Å; M322-I355 VanDerWaalsContact O-N 3.09Å; M323-I355 HydrophobicContact CB-CG2 4.49Å; M323-I355 HydrophobicContact CG-CG2 4.09Å; Y324-I355 PolarHBondContact N-O 3.31Å; I355-L382 HydrophobicContact CB-CD2 4.49Å; I355-L382 HydrophobicContact CD1-CD2 4Å; I355-L382 HydrophobicContact CG2-CD1 4.24Å; I355-L382 HydrophobicContact CG2-CD2 4.32Å |
| 356 | E | 96.3 | Very high | 91.6 | Very high | 62 Ų | 62 | 35.7 Ų | 35.7 | 29% | 0.29 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 112 | 169.2 | -170.8 | 179.8 | -136.2 | 0 | 0 | 110.4 | L266 V305 Y324 R326 N327 N358 | L266-E356 HydrophobicContact CD2-CB 4.37Å; V305-E356 VanDerWaalsContact CG1-O 3.22Å; V305-E356 WeakPolarHBondContact CG1-O 3.42Å; Y324-E356 CarbonylContact O-C 3.44Å; Y324-E356 WeakPolarHBondContact O-CA 3.37Å; R326-E356 WeakPolarHBondContact CA-OE1 3.4Å; R326-E356 PolarHBondContact N-OE1 3.13Å; N327-E356 PolarHBondContact N-OE1 3.43Å; E356-N358 WeakPolarHBondContact CG-OD1 2.87Å; E356-N358 PolarHBondContact O-N 2.84Å; E356-N358 PolarHBondContact OE2-ND2 3.19Å |
| 357 | C | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -100.8 | 59 | -171.3 | -62 | 0 | 0 | 0 | 0 | 112.4 | Y324 H325 F359 L360 F369 | Y324-C357 PolarHBondContact O-N 3.12Å; H325-C357 PolarHBondContact CD2-O 3.4Å; C357-F359 HydrophobicContact CB-CE1 4.43Å; C357-F359 HydrophobicContact CB-CE2 4.43Å; C357-F359 HydrophobicContact CB-CZ 4.16Å; C357-F359 PolarHBondContact O-N 3.32Å; C357-F359 VanDerWaalsContact O-N 3.12Å; C357-L360 HydrophobicContact CB-CB 4.28Å; C357-L360 HydrophobicContact CB-CD1 3.85Å; C357-L360 HydrophobicContact CB-CG 4.08Å; C357-L360 PolarHBondContact O-N 3.49Å; C357-F369 HydrophobicContact CB-CE1 4.22Å; C357-F369 HydrophobicContact CB-CZ 3.94Å | ||
| 358 | N | 93.3 | Very high | 93.1 | Very high | 49 Ų | 49 | 29 Ų | 29 | 26% | 0.262 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.4 | 179.5 | -64.2 | -24.1 | 0 | 0 | 0 | 113.9 | R326 E356 L360 | R326-N358 WeakPolarHBondContact CA-OD1 3.34Å; R326-N358 PolarHBondContact N-OD1 2.72Å; E356-N358 WeakPolarHBondContact CG-OD1 2.87Å; E356-N358 PolarHBondContact O-N 2.84Å; E356-N358 PolarHBondContact OE2-ND2 3.19Å; N358-L360 VanDerWaalsContact C-N 3.33Å |
| 359 | F | 92.4 | Very high | 93.5 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 16% | 0.162 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.1 | 175.1 | 56.6 | -100.5 | 0 | 0 | 0 | 113.7 | Y296 P298 F300 V305 C357 T378 | Y296-F359 HydrophobicContact CD1-CE1 4.37Å; Y296-F359 AromaticContact CD1-CZ 3.98Å; Y296-F359 HydrophobicContact CD1-CZ 3.98Å; Y296-F359 HydrophobicContact CE1-CE1 4.41Å; Y296-F359 HydrophobicContact CE1-CE2 4.21Å; Y296-F359 AromaticContact CE1-CZ 3.7Å; Y296-F359 HydrophobicContact CE1-CZ 3.7Å; P298-F359 HydrophobicContact CG-CD1 4Å; P298-F359 HydrophobicContact CG-CD2 4.42Å; P298-F359 HydrophobicContact CG-CE1 3.91Å; P298-F359 HydrophobicContact CG-CE2 4.31Å; P298-F359 HydrophobicContact CG-CG 4.26Å; P298-F359 HydrophobicContact CG-CZ 4.07Å; F300-F359 AromaticContact CE2-CD2 3.6Å; F300-F359 HydrophobicContact CE2-CD2 3.6Å; F300-F359 HydrophobicContact CE2-CE2 4.07Å; F300-F359 HydrophobicContact CE2-CG 4.36Å; F300-F359 HydrophobicContact CZ-CD2 4.15Å; F300-F359 HydrophobicContact CZ-CE2 4.15Å; V305-F359 HydrophobicContact CB-CE1 4.29Å; V305-F359 HydrophobicContact CG2-CD1 3.86Å; V305-F359 HydrophobicContact CG2-CE1 3.61Å; C357-F359 HydrophobicContact CB-CE1 4.43Å; C357-F359 HydrophobicContact CB-CE2 4.43Å; C357-F359 HydrophobicContact CB-CZ 4.16Å; C357-F359 PolarHBondContact O-N 3.32Å; C357-F359 VanDerWaalsContact O-N 3.12Å; F359-T378 HydrophobicContact CE2-CG2 4.18Å; F359-T378 WeakPolarHBondContact CE2-OG1 3.39Å; F359-T378 HydrophobicContact CZ-CG2 4.05Å |
| 360 | L | 93.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.047 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -103.6 | 159.3 | 174 | -61.8 | -179.3 | 0 | 0 | 0 | 110.5 | M323 H325 C357 N358 F369 E374 Y375 | M323-L360 HydrophobicContact CE-CD1 4.23Å; H325-L360 PolarHBondContact CD2-O 2.88Å; H325-L360 VanDerWaalsContact CD2-O 3.25Å; H325-L360 PolarHBondContact NE2-O 3.39Å; C357-L360 HydrophobicContact CB-CB 4.28Å; C357-L360 HydrophobicContact CB-CD1 3.85Å; C357-L360 HydrophobicContact CB-CG 4.08Å; C357-L360 PolarHBondContact O-N 3.49Å; N358-L360 VanDerWaalsContact C-N 3.33Å; L360-F369 HydrophobicContact CB-CD1 3.4Å; L360-F369 VanDerWaalsContact CB-CD1 3.4Å; L360-F369 HydrophobicContact CB-CE1 3.68Å; L360-F369 HydrophobicContact CB-CG 4.15Å; L360-F369 HydrophobicContact CD1-CD1 4.02Å; L360-F369 HydrophobicContact CD1-CD2 4.29Å; L360-F369 HydrophobicContact CD1-CE1 4.27Å; L360-F369 HydrophobicContact CD1-CG 4.02Å; L360-F369 HydrophobicContact CG-CD1 4.38Å; L360-E374 HydrophobicContact CD2-CB 3.91Å; L360-Y375 HydrophobicContact CD1-CD2 3.89Å |
| 361 | K | 92.8 | Very high | 94.1 | Very high | 134 Ų | 134 | 40 Ų | 40 | 58% | 0.583 | 19% | 0.187 | S | C | * | . | trans | -104.1 | 122.8 | 176.4 | -67.7 | -179.1 | -178.4 | 177 | 0 | 110.4 | F369 E370 | K361-F369 WeakPolarHBondContact O-CA 3.44Å; K361-E370 HydrophobicContact CB-CG 4.23Å; K361-E370 PolarHBondContact O-N 2.66Å | ||
| 362 | P | 94.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 146.4 | 169.6 | -22.4 | 34.2 | 0 | 0 | 0 | 111.4 | Y101 H325 I330 K366 D368 F369 | Y101-P362 PolarHBondContact OH-O 3.25Å; H325-P362 HydrophobicContact CB-CG 4.2Å; I330-P362 HydrophobicContact CD1-CB 4.03Å; I330-P362 HydrophobicContact CD1-CG 3.98Å; I330-P362 HydrophobicContact CG1-CG 4.36Å; P362-K366 HydrophobicContact CB-CG 4.39Å; P362-D368 CarbonylContact C-O 3.6Å; P362-D368 WeakPolarHBondContact CA-O 3.42Å; P362-F369 HydrophobicContact CG-CE1 4.49Å |
| 363 | A | 92.5 | Very high | 94.1 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | trans | -66 | 169.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N365 K366 D368 | A363-N365 PolarHBondContact O-N 2.62Å; A363-N365 VanDerWaalsContact O-N 3.07Å; A363-K366 PolarHBondContact O-N 3.36Å; A363-D368 WeakPolarHBondContact CB-O 3.36Å; A363-D368 PolarHBondContact N-O 3.38Å | ||
| 364 | H | 86.9 | Confident | 94 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 39% | 0.394 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -35.6 | -173.3 | -173.5 | -91.9 | 0 | 0 | 0 | 114.9 | S25 N103 | S25-H364 WeakPolarHBondContact CB-ND1 3.39Å; S25-H364 PolarHBondContact OG-ND1 3.46Å; N103-H364 PolarHBondContact ND2-CE1 2.77Å; N103-H364 PolarHBondContact ND2-NE2 3.09Å |
| 365 | N | 88.4 | Confident | 93.9 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 0.4 | -179.2 | 65.2 | 7.4 | 0 | 0 | 0 | 114.2 | S25 A363 Q367 | S25-N365 WeakPolarHBondContact O-CB 3.13Å; S25-N365 PolarHBondContact O-ND2 3.02Å; A363-N365 PolarHBondContact O-N 2.62Å; A363-N365 VanDerWaalsContact O-N 3.07Å; N365-Q367 PolarHBondContact O-N 2.69Å; N365-Q367 PolarHBondContact O-NE2 3.5Å; N365-Q367 PolarHBondContact OD1-N 2.86Å |
| 366 | K | 94.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 53.2 | 32.8 | -177.2 | -51.3 | 175.3 | -171.4 | 153.2 | 0 | 114.2 | E35 D38 I98 R328 I330 P362 A363 | E35-K366 WeakPolarHBondContact OE1-CD 3.4Å; E35-K366 WeakPolarHBondContact OE1-CE 3.27Å; E35-K366 IonicContact OE1-NZ 2.72Å; E35-K366 PolarHBondContact OE1-NZ 2.88Å; E35-K366 IonicContact OE2-NZ 3.28Å; E35-K366 PolarHBondContact OE2-NZ 3.47Å; D38-K366 IonicContact OD2-NZ 3.97Å; D38-K366 PolarHBondContact OD2-NZ 2.78Å; I98-K366 HydrophobicContact CG2-CD 4.35Å; R328-K366 PolarHBondContact NH1-O 3.49Å; I330-K366 HydrophobicContact CD1-CB 4.05Å; P362-K366 HydrophobicContact CB-CG 4.39Å; A363-K366 PolarHBondContact O-N 3.36Å |
| 367 | Q | 93.3 | Very high | 93.9 | Very high | 43 Ų | 43 | 58.3 Ų | 58.3 | 20% | 0.201 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -111.1 | -2.7 | 173.8 | -58.2 | -53.8 | -63.3 | 0 | 0 | 113.1 | S31 Y260 I330 N365 | S31-Q367 VanDerWaalsContact CB-CG 3.47Å; Y260-Q367 PolarHBondContact OH-NE2 2.72Å; I330-Q367 CarbonylContact O-C 3.51Å; I330-Q367 VanDerWaalsContact O-C 3.22Å; I330-Q367 WeakPolarHBondContact O-CA 3.5Å; I330-Q367 VanDerWaalsContact O-O 3.09Å; N365-Q367 PolarHBondContact O-N 2.69Å; N365-Q367 PolarHBondContact O-NE2 3.5Å; N365-Q367 PolarHBondContact OD1-N 2.86Å |
| 368 | D | 94.6 | Very high | 93.9 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -151.7 | 174.2 | 170.6 | -146.1 | -27.5 | 0 | 0 | 0 | 109.3 | I330 K331 P362 A363 | I330-D368 VanDerWaalsContact CG2-C 3.43Å; I330-D368 WeakPolarHBondContact CG2-O 3.18Å; K331-D368 IonicContact NZ-OD1 2.89Å; K331-D368 IonicContact NZ-OD2 3.14Å; P362-D368 CarbonylContact C-O 3.6Å; P362-D368 WeakPolarHBondContact CA-O 3.42Å; A363-D368 WeakPolarHBondContact CB-O 3.36Å; A363-D368 PolarHBondContact N-O 3.38Å |
| 369 | F | 95.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -95.1 | 157.5 | 166.8 | -65.9 | -82 | 0 | 0 | 0 | 110.6 | M323 H325 I330 C357 L360 K361 P362 Y371 Y375 | M323-F369 HydrophobicContact CB-CE2 3.77Å; M323-F369 HydrophobicContact CB-CZ 4.36Å; M323-F369 HydrophobicContact CE-CD2 4.16Å; M323-F369 HydrophobicContact CE-CE2 3.82Å; M323-F369 HydrophobicContact SD-CE2 4.23Å; H325-F369 HydrophobicContact CB-CE1 4.07Å; H325-F369 HydrophobicContact CB-CZ 4.28Å; I330-F369 HydrophobicContact CB-CD2 4.47Å; I330-F369 HydrophobicContact CB-CE1 4.34Å; I330-F369 HydrophobicContact CB-CE2 3.74Å; I330-F369 HydrophobicContact CB-CZ 3.67Å; I330-F369 HydrophobicContact CG1-CE1 4.09Å; I330-F369 HydrophobicContact CG1-CE2 4.34Å; I330-F369 HydrophobicContact CG1-CZ 3.74Å; I330-F369 HydrophobicContact CG2-CD1 4.37Å; I330-F369 HydrophobicContact CG2-CD2 3.83Å; I330-F369 HydrophobicContact CG2-CE1 4.19Å; I330-F369 HydrophobicContact CG2-CE2 3.61Å; I330-F369 HydrophobicContact CG2-CG 4.22Å; I330-F369 HydrophobicContact CG2-CZ 3.81Å; C357-F369 HydrophobicContact CB-CE1 4.22Å; C357-F369 HydrophobicContact CB-CZ 3.94Å; L360-F369 HydrophobicContact CB-CD1 3.4Å; L360-F369 VanDerWaalsContact CB-CD1 3.4Å; L360-F369 HydrophobicContact CB-CE1 3.68Å; L360-F369 HydrophobicContact CB-CG 4.15Å; L360-F369 HydrophobicContact CD1-CD1 4.02Å; L360-F369 HydrophobicContact CD1-CD2 4.29Å; L360-F369 HydrophobicContact CD1-CE1 4.27Å; L360-F369 HydrophobicContact CD1-CG 4.02Å; L360-F369 HydrophobicContact CG-CD1 4.38Å; K361-F369 WeakPolarHBondContact O-CA 3.44Å; P362-F369 HydrophobicContact CG-CE1 4.49Å; F369-Y371 PolarHBondContact O-N 2.97Å; F369-Y375 HydrophobicContact CB-CD2 3.81Å; F369-Y375 HydrophobicContact CB-CE2 4.11Å; F369-Y375 HydrophobicContact CB-CG 4.38Å; F369-Y375 HydrophobicContact CD2-CD2 4.13Å; F369-Y375 AromaticContact CD2-CE2 3.87Å; F369-Y375 HydrophobicContact CD2-CE2 3.87Å; F369-Y375 HydrophobicContact CG-CD2 4.23Å; F369-Y375 HydrophobicContact CG-CE2 4.37Å |
| 370 | E | 94.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 57.9 Ų | 57.9 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | trans | -55.7 | 132.1 | 166.9 | -68.5 | 175.7 | -172 | 0 | 0 | 109.6 | K361 T372 | K361-E370 HydrophobicContact CB-CG 4.23Å; K361-E370 PolarHBondContact O-N 2.66Å; E370-T372 HydrophobicContact CB-CG2 3.87Å; E370-T372 PolarHBondContact O-N 3.24Å | ||
| 371 | Y | 94.2 | Very high | 94.3 | Very high | 183 Ų | 183 | 58.4 Ų | 58.4 | 72% | 0.718 | 29% | 0.285 | S | S | * | . | trans | -77.7 | 73.9 | -175.7 | -167 | -106.4 | 0 | 0 | 0 | 111.7 | F369 Y375 R376 | F369-Y371 PolarHBondContact O-N 2.97Å; Y371-Y375 AromaticContact CD2-CD1 3.82Å; Y371-Y375 HydrophobicContact CD2-CD1 3.82Å; Y371-Y375 HydrophobicContact CD2-CE1 4.01Å; Y371-Y375 HydrophobicContact CE2-CD1 4.18Å; Y371-Y375 HydrophobicContact CE2-CE1 4.23Å; Y371-R376 HydrophobicContact CE2-CG 3.97Å; Y371-R376 WeakPolarHBondContact OH-CD 3.49Å | ||
| 372 | T | 95.8 | Very high | 94.5 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 26% | 0.258 | 26% | 0.257 | S | S | . | . | trans | -100.8 | 176 | -177.3 | 77.9 | 0 | 0 | 0 | 0 | 112.4 | E370 E374 Y375 R376 | E370-T372 HydrophobicContact CB-CG2 3.87Å; E370-T372 PolarHBondContact O-N 3.24Å; T372-E374 VanDerWaalsContact C-N 3.29Å; T372-E374 WeakPolarHBondContact CB-OE2 3.31Å; T372-E374 PolarHBondContact OG1-N 2.81Å; T372-E374 PolarHBondContact OG1-OE2 2.74Å; T372-Y375 PolarHBondContact OG1-N 3.3Å; T372-R376 PolarHBondContact O-N 2.79Å | ||
| 373 | K | 95.6 | Very high | 94.6 | Very high | 135 Ų | 135 | 51.9 Ų | 51.9 | 59% | 0.587 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.4 | -39.3 | 172.1 | -176.8 | -179.7 | 175.8 | -177.5 | 0 | 110.9 | R376 L377 | K373-R376 PolarHBondContact O-N 2.88Å; K373-L377 HydrophobicContact CG-CD1 4.05Å; K373-L377 HydrophobicContact CG-CG 4.36Å; K373-L377 WeakPolarHBondContact O-CB 3.36Å; K373-L377 WeakPolarHBondContact O-CG 3.29Å; K373-L377 PolarHBondContact O-N 2.87Å |
| 374 | E | 95.5 | Very high | 94.8 | Very high | 71 Ų | 71 | 56 Ų | 56 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 180 | -62.3 | 70.8 | -150.1 | 0 | 0 | 111.4 | F300 L360 T372 L377 T378 | F300-E374 HydrophobicContact CB-CG 4.39Å; F300-E374 HydrophobicContact CD1-CB 4.27Å; F300-E374 HydrophobicContact CD1-CG 3.92Å; F300-E374 HydrophobicContact CD2-CB 4.08Å; F300-E374 HydrophobicContact CD2-CG 3.67Å; F300-E374 HydrophobicContact CE1-CB 3.9Å; F300-E374 HydrophobicContact CE1-CG 4.08Å; F300-E374 HydrophobicContact CE2-CB 3.68Å; F300-E374 HydrophobicContact CE2-CG 3.83Å; F300-E374 HydrophobicContact CG-CB 4.36Å; F300-E374 HydrophobicContact CG-CG 3.71Å; F300-E374 HydrophobicContact CZ-CB 3.58Å; F300-E374 HydrophobicContact CZ-CG 4.03Å; L360-E374 HydrophobicContact CD2-CB 3.91Å; T372-E374 VanDerWaalsContact C-N 3.29Å; T372-E374 WeakPolarHBondContact CB-OE2 3.31Å; T372-E374 PolarHBondContact OG1-N 2.81Å; T372-E374 PolarHBondContact OG1-OE2 2.74Å; E374-L377 PolarHBondContact O-N 3.13Å; E374-T378 WeakPolarHBondContact O-CB 3.46Å; E374-T378 PolarHBondContact O-N 2.82Å; E374-T378 PolarHBondContact O-OG1 3Å |
| 375 | Y | 96.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 174.8 | 174.8 | -111.4 | 0 | 0 | 0 | 111.6 | M323 K331 E334 L360 F369 Y371 T372 L377 T378 L379 | M323-Y375 HydrophobicContact CE-CD2 4.41Å; M323-Y375 HydrophobicContact CE-CE2 4Å; M323-Y375 HydrophobicContact SD-CE2 4.21Å; K331-Y375 PolarHBondContact NZ-OH 2.78Å; E334-Y375 PolarHBondContact OE1-OH 3.01Å; L360-Y375 HydrophobicContact CD1-CD2 3.89Å; F369-Y375 HydrophobicContact CB-CD2 3.81Å; F369-Y375 HydrophobicContact CB-CE2 4.11Å; F369-Y375 HydrophobicContact CB-CG 4.38Å; F369-Y375 HydrophobicContact CD2-CD2 4.13Å; F369-Y375 AromaticContact CD2-CE2 3.87Å; F369-Y375 HydrophobicContact CD2-CE2 3.87Å; F369-Y375 HydrophobicContact CG-CD2 4.23Å; F369-Y375 HydrophobicContact CG-CE2 4.37Å; Y371-Y375 AromaticContact CD2-CD1 3.82Å; Y371-Y375 HydrophobicContact CD2-CD1 3.82Å; Y371-Y375 HydrophobicContact CD2-CE1 4.01Å; Y371-Y375 HydrophobicContact CE2-CD1 4.18Å; Y371-Y375 HydrophobicContact CE2-CE1 4.23Å; T372-Y375 PolarHBondContact OG1-N 3.3Å; Y375-L377 PolarHBondContact O-N 3.48Å; Y375-T378 VanDerWaalsContact O-CB 3.31Å; Y375-T378 WeakPolarHBondContact O-CB 3.32Å; Y375-T378 PolarHBondContact O-N 3.45Å; Y375-T378 VanDerWaalsContact O-N 3.1Å; Y375-L379 HydrophobicContact CD1-CD1 4.34Å; Y375-L379 HydrophobicContact CE1-CD1 3.62Å; Y375-L379 HydrophobicContact CE1-CG 4.26Å; Y375-L379 HydrophobicContact CE2-CD1 4.33Å; Y375-L379 HydrophobicContact CE2-CD2 4.24Å; Y375-L379 HydrophobicContact CE2-CG 4.19Å; Y375-L379 PolarHBondContact O-N 2.98Å |
| 376 | R | 95.8 | Very high | 95.6 | Very high | 133 Ų | 133 | 51.9 Ų | 51.9 | 50% | 0.502 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 179.2 | -68.4 | -176.5 | -68.6 | 150.6 | -5.1 | 112.8 | Y371 T372 K373 T378 L379 G380 | Y371-R376 HydrophobicContact CE2-CG 3.97Å; Y371-R376 WeakPolarHBondContact OH-CD 3.49Å; T372-R376 PolarHBondContact O-N 2.79Å; K373-R376 PolarHBondContact O-N 2.88Å; R376-T378 VanDerWaalsContact C-N 3.26Å; R376-T378 PolarHBondContact O-N 3.39Å; R376-L379 PolarHBondContact O-N 3.09Å; R376-G380 PolarHBondContact O-N 2.74Å |
| 377 | L | 95.9 | Very high | 95.6 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.1 | -36.3 | 175.1 | -73.4 | 174.3 | 0 | 0 | 0 | 111.8 | F300 K373 E374 Y375 G380 A381 | F300-L377 HydrophobicContact CD1-CD1 4.33Å; F300-L377 HydrophobicContact CE1-CB 4.23Å; F300-L377 HydrophobicContact CE1-CD1 4.23Å; K373-L377 HydrophobicContact CG-CD1 4.05Å; K373-L377 HydrophobicContact CG-CG 4.36Å; K373-L377 WeakPolarHBondContact O-CB 3.36Å; K373-L377 WeakPolarHBondContact O-CG 3.29Å; K373-L377 PolarHBondContact O-N 2.87Å; E374-L377 PolarHBondContact O-N 3.13Å; Y375-L377 PolarHBondContact O-N 3.48Å; L377-G380 PolarHBondContact O-N 2.72Å; L377-A381 WeakPolarHBondContact O-CB 3.46Å; L377-A381 PolarHBondContact O-N 3.41Å |
| 378 | T | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 175.9 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | Y296 M323 F359 E374 Y375 R376 G380 A381 L382 | Y296-T378 HydrophobicContact CE1-CG2 3.92Å; M323-T378 HydrophobicContact CE-CG2 4.42Å; F359-T378 HydrophobicContact CE2-CG2 4.18Å; F359-T378 WeakPolarHBondContact CE2-OG1 3.39Å; F359-T378 HydrophobicContact CZ-CG2 4.05Å; E374-T378 WeakPolarHBondContact O-CB 3.46Å; E374-T378 PolarHBondContact O-N 2.82Å; E374-T378 PolarHBondContact O-OG1 3Å; Y375-T378 VanDerWaalsContact O-CB 3.31Å; Y375-T378 WeakPolarHBondContact O-CB 3.32Å; Y375-T378 PolarHBondContact O-N 3.45Å; Y375-T378 VanDerWaalsContact O-N 3.1Å; R376-T378 VanDerWaalsContact C-N 3.26Å; R376-T378 PolarHBondContact O-N 3.39Å; T378-G380 VanDerWaalsContact C-N 3.34Å; T378-G380 PolarHBondContact O-N 2.84Å; T378-A381 PolarHBondContact O-N 3.49Å; T378-L382 HydrophobicContact CG2-CD1 3.93Å; T378-L382 HydrophobicContact CG2-CG 4.42Å; T378-L382 WeakPolarHBondContact O-CB 3.5Å; T378-L382 VanDerWaalsContact O-CG 3.27Å; T378-L382 WeakPolarHBondContact O-CG 3.45Å; T378-L382 PolarHBondContact O-N 2.75Å |
| 379 | L | 96.3 | Very high | 95.6 | Very high | 34 Ų | 34 | 49.5 Ų | 49.5 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 175.7 | -67.8 | -175.9 | 0 | 0 | 0 | 112.4 | M323 E334 V336 Y375 R376 L382 G383 | M323-L379 HydrophobicContact SD-CD2 4.08Å; E334-L379 HydrophobicContact CG-CD2 3.92Å; V336-L379 HydrophobicContact CG1-CD2 4.06Å; Y375-L379 HydrophobicContact CD1-CD1 4.34Å; Y375-L379 HydrophobicContact CE1-CD1 3.62Å; Y375-L379 HydrophobicContact CE1-CG 4.26Å; Y375-L379 HydrophobicContact CE2-CD1 4.33Å; Y375-L379 HydrophobicContact CE2-CD2 4.24Å; Y375-L379 HydrophobicContact CE2-CG 4.19Å; Y375-L379 PolarHBondContact O-N 2.98Å; R376-L379 PolarHBondContact O-N 3.09Å; L379-L382 PolarHBondContact O-N 2.75Å; L379-G383 PolarHBondContact O-N 3.25Å |
| 380 | G | 95.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R376 L377 T378 G383 L384 | R376-G380 PolarHBondContact O-N 2.74Å; L377-G380 PolarHBondContact O-N 2.72Å; T378-G380 VanDerWaalsContact C-N 3.34Å; T378-G380 PolarHBondContact O-N 2.84Å; G380-G383 PolarHBondContact O-N 3.02Å; G380-L384 PolarHBondContact O-N 2.86Å; G380-L384 VanDerWaalsContact O-N 3.11Å |
| 381 | A | 96.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y296 L377 T378 G383 L384 K385 | Y296-A381 HydrophobicContact CD2-CB 3.81Å; Y296-A381 HydrophobicContact CE2-CB 3.37Å; L377-A381 WeakPolarHBondContact O-CB 3.46Å; L377-A381 PolarHBondContact O-N 3.41Å; T378-A381 PolarHBondContact O-N 3.49Å; A381-G383 VanDerWaalsContact C-N 3.32Å; A381-G383 PolarHBondContact O-N 2.92Å; A381-L384 PolarHBondContact O-N 2.73Å; A381-K385 WeakPolarHBondContact O-CG 3.5Å; A381-K385 PolarHBondContact O-N 3.48Å |
| 382 | L | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 175.2 | -72.9 | 167.4 | 0 | 0 | 0 | 111.4 | V307 I321 V336 I355 T378 L379 K385 L386 | V307-L382 HydrophobicContact CG1-CD2 3.81Å; V307-L382 HydrophobicContact CG2-CD2 4.13Å; I321-L382 HydrophobicContact CG2-CD1 4.12Å; V336-L382 HydrophobicContact CG1-CB 4.45Å; V336-L382 HydrophobicContact CG2-CB 4.31Å; I355-L382 HydrophobicContact CB-CD2 4.49Å; I355-L382 HydrophobicContact CD1-CD2 4Å; I355-L382 HydrophobicContact CG2-CD1 4.24Å; I355-L382 HydrophobicContact CG2-CD2 4.32Å; T378-L382 HydrophobicContact CG2-CD1 3.93Å; T378-L382 HydrophobicContact CG2-CG 4.42Å; T378-L382 WeakPolarHBondContact O-CB 3.5Å; T378-L382 VanDerWaalsContact O-CG 3.27Å; T378-L382 WeakPolarHBondContact O-CG 3.45Å; T378-L382 PolarHBondContact O-N 2.75Å; L379-L382 PolarHBondContact O-N 2.75Å; L382-K385 PolarHBondContact O-N 3.06Å; L382-L386 VanDerWaalsContact O-CB 3.31Å; L382-L386 WeakPolarHBondContact O-CB 3.31Å; L382-L386 PolarHBondContact O-N 3.46Å |
| 383 | G | 96.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L379 G380 A381 L386 N387 | L379-G383 PolarHBondContact O-N 3.25Å; G380-G383 PolarHBondContact O-N 3.02Å; A381-G383 VanDerWaalsContact C-N 3.32Å; A381-G383 PolarHBondContact O-N 2.92Å; G383-L386 PolarHBondContact O-N 3.22Å; G383-N387 PolarHBondContact O-N 3.12Å; G383-N387 PolarHBondContact O-ND2 3.29Å; G383-N387 PolarHBondContact O-OD1 3.34Å |
| 384 | L | 95.2 | Very high | 94.2 | Very high | 114 Ų | 114 | 39.9 Ų | 39.9 | 60% | 0.597 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.7 | -42.9 | 176.2 | -67 | 174.9 | 0 | 0 | 0 | 112 | G380 A381 N387 D388 | G380-L384 PolarHBondContact O-N 2.86Å; G380-L384 VanDerWaalsContact O-N 3.11Å; A381-L384 PolarHBondContact O-N 2.73Å; L384-N387 PolarHBondContact O-N 3.16Å; L384-D388 PolarHBondContact O-N 2.77Å; L384-D388 VanDerWaalsContact O-N 3.07Å |
| 385 | K | 95.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | 178.6 | -68.7 | 179.5 | 177.5 | -61.3 | 0 | 112.5 | D294 V295 V307 F309 A381 L382 N387 D388 Y389 | D294-K385 HydrophobicContact CB-CD 4.21Å; D294-K385 VanDerWaalsContact CG-NZ 3.29Å; D294-K385 IonicContact OD1-NZ 2.71Å; D294-K385 PolarHBondContact OD1-NZ 3.46Å; D294-K385 WeakPolarHBondContact OD2-CG 3.42Å; D294-K385 IonicContact OD2-NZ 3.45Å; D294-K385 PolarHBondContact OD2-NZ 3.26Å; V295-K385 WeakPolarHBondContact O-CE 3.22Å; V295-K385 PolarHBondContact O-NZ 3.25Å; V307-K385 HydrophobicContact CG2-CD 4.48Å; F309-K385 HydrophobicContact CE2-CB 3.86Å; F309-K385 HydrophobicContact CZ-CB 3.96Å; A381-K385 WeakPolarHBondContact O-CG 3.5Å; A381-K385 PolarHBondContact O-N 3.48Å; L382-K385 PolarHBondContact O-N 3.06Å; K385-N387 VanDerWaalsContact C-N 3.32Å; K385-D388 WeakPolarHBondContact O-CB 3.33Å; K385-D388 PolarHBondContact O-N 3.17Å; K385-Y389 PolarHBondContact O-N 3.04Å |
| 386 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.3 | -173.7 | 146.2 | 0 | 0 | 0 | 111.3 | F309 I321 V336 C338 Q339 V351 L382 G383 Y389 W390 | F309-L386 HydrophobicContact CD1-CD1 4.45Å; F309-L386 HydrophobicContact CE1-CB 3.81Å; F309-L386 HydrophobicContact CE1-CD1 4.04Å; F309-L386 HydrophobicContact CE1-CG 4.15Å; F309-L386 HydrophobicContact CZ-CB 4.12Å; I321-L386 HydrophobicContact CD1-CD1 3.88Å; V336-L386 HydrophobicContact CG2-CB 4.23Å; V336-L386 HydrophobicContact CG2-CD1 3.89Å; C338-L386 WeakPolarHBondContact SG-CD2 3.44Å; Q339-L386 HydrophobicContact CG-CD1 4.35Å; Q339-L386 HydrophobicContact CG-CD2 3.93Å; V351-L386 HydrophobicContact CG1-CD1 3.97Å; V351-L386 HydrophobicContact CG1-CG 4.13Å; L382-L386 VanDerWaalsContact O-CB 3.31Å; L382-L386 WeakPolarHBondContact O-CB 3.31Å; L382-L386 PolarHBondContact O-N 3.46Å; G383-L386 PolarHBondContact O-N 3.22Å; L386-Y389 PolarHBondContact O-N 3.36Å; L386-W390 WeakPolarHBondContact O-CB 3.36Å; L386-W390 PolarHBondContact O-N 3.26Å |
| 387 | N | 94.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 40 Ų | 40 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 174.5 | -66 | -9.5 | 0 | 0 | 0 | 111.9 | C338 G383 L384 K385 R391 | C338-N387 VanDerWaalsContact CB-OD1 3.22Å; C338-N387 WeakPolarHBondContact CB-OD1 3.33Å; C338-N387 PolarHBondContact N-OD1 3.36Å; C338-N387 PolarHBondContact SG-OD1 3.19Å; G383-N387 PolarHBondContact O-N 3.12Å; G383-N387 PolarHBondContact O-ND2 3.29Å; G383-N387 PolarHBondContact O-OD1 3.34Å; L384-N387 PolarHBondContact O-N 3.16Å; K385-N387 VanDerWaalsContact C-N 3.32Å; N387-R391 PolarHBondContact O-N 3.5Å |
| 388 | D | 93.6 | Very high | 92 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 175.5 | -72 | -20 | 0 | 0 | 0 | 110.3 | L384 K385 R391 E392 Y477 K479 K482 | L384-D388 PolarHBondContact O-N 2.77Å; L384-D388 VanDerWaalsContact O-N 3.07Å; K385-D388 WeakPolarHBondContact O-CB 3.33Å; K385-D388 PolarHBondContact O-N 3.17Å; D388-R391 PolarHBondContact O-N 3.03Å; D388-E392 PolarHBondContact O-N 3.29Å; D388-Y477 HydrophobicContact CB-CE2 4.15Å; D388-Y477 WeakPolarHBondContact CB-OH 3.49Å; D388-K479 WeakPolarHBondContact OD2-CD 3.31Å; D388-K479 WeakPolarHBondContact OD2-CE 3.46Å; D388-K479 IonicContact OD2-NZ 2.78Å; D388-K479 PolarHBondContact OD2-NZ 2.92Å; D388-K482 VanDerWaalsContact CG-NZ 3.31Å; D388-K482 VanDerWaalsContact OD1-CE 3.3Å; D388-K482 WeakPolarHBondContact OD1-CE 3.31Å; D388-K482 IonicContact OD1-NZ 3.05Å; D388-K482 PolarHBondContact OD1-NZ 2.81Å; D388-K482 IonicContact OD2-NZ 2.74Å; D388-K482 PolarHBondContact OD2-NZ 3.15Å |
| 389 | Y | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.9 | -49.4 | 177.2 | 168.3 | -97.2 | 0 | 0 | 0 | 112.5 | H290 E292 F309 G310 V311 V351 K385 L386 R391 E392 V393 | H290-Y389 PolarHBondContact O-OH 3.07Å; E292-Y389 HydrophobicContact CB-CD2 3.75Å; E292-Y389 HydrophobicContact CB-CE2 3.69Å; E292-Y389 HydrophobicContact CG-CD2 4.05Å; E292-Y389 HydrophobicContact CG-CE2 3.75Å; F309-Y389 HydrophobicContact CB-CD1 3.76Å; F309-Y389 HydrophobicContact CB-CD2 3.47Å; F309-Y389 VanDerWaalsContact CB-CD2 3.47Å; F309-Y389 HydrophobicContact CB-CE1 3.94Å; F309-Y389 HydrophobicContact CB-CE2 3.63Å; F309-Y389 HydrophobicContact CB-CG 3.52Å; F309-Y389 HydrophobicContact CD2-CG 4.33Å; F309-Y389 HydrophobicContact CG-CD1 4.25Å; F309-Y389 HydrophobicContact CG-CD2 4.27Å; F309-Y389 AromaticContact CG-CG 3.95Å; F309-Y389 HydrophobicContact CG-CG 3.95Å; G310-Y389 WeakPolarHBondContact CA-OH 3.25Å; V311-Y389 PolarHBondContact N-OH 2.92Å; V351-Y389 HydrophobicContact CB-CE1 4.4Å; V351-Y389 HydrophobicContact CG1-CD1 3.69Å; V351-Y389 HydrophobicContact CG1-CE1 3.57Å; V351-Y389 HydrophobicContact CG2-CD1 4.36Å; V351-Y389 HydrophobicContact CG2-CE1 3.97Å; K385-Y389 PolarHBondContact O-N 3.04Å; L386-Y389 PolarHBondContact O-N 3.36Å; Y389-R391 VanDerWaalsContact C-N 3.29Å; Y389-R391 PolarHBondContact O-N 2.93Å; Y389-E392 PolarHBondContact O-N 2.9Å; Y389-V393 HydrophobicContact CD2-CG2 3.82Å; Y389-V393 HydrophobicContact CE1-CG2 4.2Å; Y389-V393 HydrophobicContact CE2-CG2 3.35Å; Y389-V393 HydrophobicContact CG-CG2 4.45Å; Y389-V393 PolarHBondContact O-N 3.49Å |
| 390 | W | 92.5 | Very high | 90.6 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | -177.2 | 174.5 | -101 | 0 | 0 | 0 | 111.8 | V347 G348 V351 L386 T394 | V347-W390 HydrophobicContact CG1-CG 4.31Å; V347-W390 VanDerWaalsContact CG1-NE1 3.34Å; G348-W390 VanDerWaalsContact N-CE2 3.29Å; V351-W390 HydrophobicContact CG2-CE3 3.39Å; V351-W390 HydrophobicContact CG2-CZ3 3.73Å; L386-W390 WeakPolarHBondContact O-CB 3.36Å; L386-W390 PolarHBondContact O-N 3.26Å; W390-T394 VanDerWaalsContact O-CB 3.24Å; W390-T394 WeakPolarHBondContact O-CB 3.16Å; W390-T394 PolarHBondContact O-N 3.25Å; W390-T394 PolarHBondContact O-OG1 3.49Å |
| 391 | R | 90.3 | Very high | 89.9 | Confident | 102 Ų | 102 | 52.7 Ų | 52.7 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -50.6 | 178.6 | -169.4 | -171.6 | -46.4 | -112.4 | 2.5 | 111 | N387 D388 Y389 V393 T394 E395 | N387-R391 PolarHBondContact O-N 3.5Å; D388-R391 PolarHBondContact O-N 3.03Å; Y389-R391 VanDerWaalsContact C-N 3.29Å; Y389-R391 PolarHBondContact O-N 2.93Å; R391-V393 PolarHBondContact O-N 3.02Å; R391-T394 PolarHBondContact O-N 3.32Å; R391-E395 WeakPolarHBondContact CG-OE1 3.44Å; R391-E395 WeakPolarHBondContact O-CG 3.45Å; R391-E395 PolarHBondContact O-N 2.96Å |
| 392 | E | 89.4 | Confident | 89.2 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | -177.5 | -170.5 | 64.5 | -141.3 | 0 | 0 | 111.9 | D388 Y389 T394 E395 K396 R399 Y477 S480 | D388-E392 PolarHBondContact O-N 3.29Å; Y389-E392 PolarHBondContact O-N 2.9Å; E392-T394 VanDerWaalsContact C-N 3.32Å; E392-T394 PolarHBondContact O-N 2.94Å; E392-E395 PolarHBondContact O-N 3.3Å; E392-K396 VanDerWaalsContact O-CB 3.3Å; E392-K396 WeakPolarHBondContact O-CB 3.22Å; E392-K396 PolarHBondContact O-N 3.01Å; E392-R399 IonicContact OE1-NH2 3.95Å; E392-Y477 HydrophobicContact CB-CD2 3.97Å; E392-Y477 HydrophobicContact CB-CE2 4.42Å; E392-Y477 HydrophobicContact CG-CD2 3.87Å; E392-Y477 HydrophobicContact CG-CG 4.35Å; E392-S480 PolarHBondContact OE2-OG 3.32Å |
| 393 | V | 87.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -33.9 | 178.5 | 172 | 0 | 0 | 0 | 0 | 111.9 | H290 E292 V311 Y389 R391 R397 | H290-V393 HydrophobicContact CB-CG1 4.11Å; E292-V393 HydrophobicContact CG-CG2 4.47Å; V311-V393 HydrophobicContact CG2-CG1 4.48Å; Y389-V393 HydrophobicContact CD2-CG2 3.82Å; Y389-V393 HydrophobicContact CE1-CG2 4.2Å; Y389-V393 HydrophobicContact CE2-CG2 3.35Å; Y389-V393 HydrophobicContact CG-CG2 4.45Å; Y389-V393 PolarHBondContact O-N 3.49Å; R391-V393 PolarHBondContact O-N 3.02Å; V393-R397 HydrophobicContact CG1-CG 4.38Å; V393-R397 VanDerWaalsContact O-CB 3.3Å; V393-R397 WeakPolarHBondContact O-CB 3.3Å; V393-R397 VanDerWaalsContact O-CG 3.22Å; V393-R397 WeakPolarHBondContact O-CG 3.32Å; V393-R397 PolarHBondContact O-N 3.42Å |
| 394 | T | 86.6 | Confident | 87.1 | Confident | 61 Ų | 61 | 70 Ų | 70 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | W390 R391 E392 R397 A398 | W390-T394 VanDerWaalsContact O-CB 3.24Å; W390-T394 WeakPolarHBondContact O-CB 3.16Å; W390-T394 PolarHBondContact O-N 3.25Å; W390-T394 PolarHBondContact O-OG1 3.49Å; R391-T394 PolarHBondContact O-N 3.32Å; E392-T394 VanDerWaalsContact C-N 3.32Å; E392-T394 PolarHBondContact O-N 2.94Å; T394-R397 PolarHBondContact O-N 3.26Å; T394-A398 WeakPolarHBondContact O-CB 3.46Å; T394-A398 PolarHBondContact O-N 3.48Å |
| 395 | E | 85.6 | Confident | 86.2 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.4 | -73.1 | 174 | -164.6 | 0 | 0 | 111.6 | R391 E392 R397 A398 R399 | R391-E395 WeakPolarHBondContact CG-OE1 3.44Å; R391-E395 WeakPolarHBondContact O-CG 3.45Å; R391-E395 PolarHBondContact O-N 2.96Å; E392-E395 PolarHBondContact O-N 3.3Å; E395-R397 PolarHBondContact O-N 3.12Å; E395-A398 PolarHBondContact O-N 3.44Å; E395-R399 WeakPolarHBondContact O-CG 3.37Å; E395-R399 PolarHBondContact O-N 2.78Å |
| 396 | K | 84.4 | Confident | 85 | Confident | 85 Ų | 85 | 73.4 Ų | 73.4 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 176.5 | -175.2 | 176.8 | 176.1 | -179.6 | 0 | 111.5 | E392 A398 R399 E400 | E392-K396 VanDerWaalsContact O-CB 3.3Å; E392-K396 WeakPolarHBondContact O-CB 3.22Å; E392-K396 PolarHBondContact O-N 3.01Å; K396-A398 VanDerWaalsContact C-N 3.33Å; K396-A398 PolarHBondContact O-N 2.99Å; K396-R399 PolarHBondContact O-N 3.43Å; K396-E400 WeakPolarHBondContact CE-OE1 3.48Å; K396-E400 WeakPolarHBondContact CG-OE1 3.07Å; K396-E400 WeakPolarHBondContact O-CG 3.22Å; K396-E400 PolarHBondContact O-N 2.88Å |
| 397 | R | 83.1 | Confident | 83.4 | Confident | 59 Ų | 59 | 78.7 Ų | 78.7 | 22% | 0.223 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65 | -34 | 176.8 | -76.9 | 172.8 | 165.1 | -173.2 | -9.4 | 113.3 | H290 V393 T394 E395 R401 | H290-R397 PolarHBondContact CD2-NE 3.47Å; H290-R397 PolarHBondContact CD2-NH2 3.25Å; H290-R397 PolarHBondContact NE2-NE 3.44Å; H290-R397 VanDerWaalsContact NE2-NE 3.13Å; H290-R397 PolarHBondContact NE2-NH2 2.95Å; V393-R397 HydrophobicContact CG1-CG 4.38Å; V393-R397 VanDerWaalsContact O-CB 3.3Å; V393-R397 WeakPolarHBondContact O-CB 3.3Å; V393-R397 VanDerWaalsContact O-CG 3.22Å; V393-R397 WeakPolarHBondContact O-CG 3.32Å; V393-R397 PolarHBondContact O-N 3.42Å; T394-R397 PolarHBondContact O-N 3.26Å; E395-R397 PolarHBondContact O-N 3.12Å; R397-R401 VanDerWaalsContact O-CG 3.27Å; R397-R401 WeakPolarHBondContact O-CG 3.24Å; R397-R401 PolarHBondContact O-N 3.07Å; R397-R401 VanDerWaalsContact O-N 3.12Å |
| 398 | A | 83.6 | Confident | 81.6 | Confident | 43 Ų | 43 | 85.4 Ų | 85.4 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T394 E395 K396 E400 R401 E402 | T394-A398 WeakPolarHBondContact O-CB 3.46Å; T394-A398 PolarHBondContact O-N 3.48Å; E395-A398 PolarHBondContact O-N 3.44Å; K396-A398 VanDerWaalsContact C-N 3.33Å; K396-A398 PolarHBondContact O-N 2.99Å; A398-E400 PolarHBondContact O-N 2.83Å; A398-R401 PolarHBondContact O-N 3.06Å; A398-E402 WeakPolarHBondContact O-CG 3.46Å; A398-E402 PolarHBondContact O-N 3.27Å |
| 399 | R | 82.9 | Confident | 79.4 | Confident | 128 Ų | 128 | 93.4 Ų | 93.4 | 48% | 0.483 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.7 | -69 | -172.9 | -67.5 | -111.6 | 1.6 | 113 | E392 E395 K396 R401 E402 F403 | E392-R399 IonicContact OE1-NH2 3.95Å; E395-R399 WeakPolarHBondContact O-CG 3.37Å; E395-R399 PolarHBondContact O-N 2.78Å; K396-R399 PolarHBondContact O-N 3.43Å; R399-R401 VanDerWaalsContact C-N 3.31Å; R399-R401 PolarHBondContact O-N 3.37Å; R399-E402 PolarHBondContact O-N 2.98Å; R399-F403 WeakPolarHBondContact O-CB 3.46Å; R399-F403 PolarHBondContact O-N 2.65Å |
| 400 | E | 80.9 | Confident | 77.1 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 177.1 | -74.8 | 166.3 | 179.7 | 0 | 0 | 111.7 | K396 A398 F403 Q404 | K396-E400 WeakPolarHBondContact CE-OE1 3.48Å; K396-E400 WeakPolarHBondContact CG-OE1 3.07Å; K396-E400 WeakPolarHBondContact O-CG 3.22Å; K396-E400 PolarHBondContact O-N 2.88Å; A398-E400 PolarHBondContact O-N 2.83Å; E400-F403 PolarHBondContact O-N 3.3Å; E400-Q404 WeakPolarHBondContact O-CB 3.43Å; E400-Q404 VanDerWaalsContact O-CG 3.31Å; E400-Q404 WeakPolarHBondContact O-CG 3.39Å; E400-Q404 PolarHBondContact O-N 3.43Å |
| 401 | R | 81.4 | Confident | 74.7 | Confident | 172 Ų | 172 | 103.3 Ų | 103.3 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.8 | -39.7 | 176.4 | -73.1 | 172.9 | -173.5 | 176 | 0.6 | 113.1 | R397 A398 R399 F403 Q404 A405 | R397-R401 VanDerWaalsContact O-CG 3.27Å; R397-R401 WeakPolarHBondContact O-CG 3.24Å; R397-R401 PolarHBondContact O-N 3.07Å; R397-R401 VanDerWaalsContact O-N 3.12Å; A398-R401 PolarHBondContact O-N 3.06Å; R399-R401 VanDerWaalsContact C-N 3.31Å; R399-R401 PolarHBondContact O-N 3.37Å; R401-F403 VanDerWaalsContact C-N 3.32Å; R401-Q404 PolarHBondContact O-N 3.26Å; R401-A405 VanDerWaalsContact O-CB 3.31Å; R401-A405 WeakPolarHBondContact O-CB 3.31Å; R401-A405 PolarHBondContact O-N 2.95Å |
| 402 | E | 81.3 | Confident | 72.5 | Confident | 128 Ų | 128 | 107.9 Ų | 107.9 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 175.4 | -74 | 169.3 | -176.2 | 0 | 0 | 110.6 | A398 R399 A405 L406 | A398-E402 WeakPolarHBondContact O-CG 3.46Å; A398-E402 PolarHBondContact O-N 3.27Å; R399-E402 PolarHBondContact O-N 2.98Å; E402-A405 PolarHBondContact O-N 3.49Å; E402-L406 WeakPolarHBondContact O-CG 3.27Å; E402-L406 PolarHBondContact O-N 3.28Å |
| 403 | F | 76.6 | Confident | 70.3 | Confident | 134 Ų | 134 | 113.4 Ų | 113.4 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.9 | -47.3 | 176.1 | -169.7 | -92.3 | 0 | 0 | 0 | 112.2 | R399 E400 R401 A405 L406 D407 | R399-F403 WeakPolarHBondContact O-CB 3.46Å; R399-F403 PolarHBondContact O-N 2.65Å; E400-F403 PolarHBondContact O-N 3.3Å; R401-F403 VanDerWaalsContact C-N 3.32Å; F403-A405 VanDerWaalsContact C-N 3.25Å; F403-A405 PolarHBondContact O-N 2.99Å; F403-L406 WeakPolarHBondContact O-CB 3.22Å; F403-L406 PolarHBondContact O-N 3.33Å; F403-D407 PolarHBondContact O-N 2.85Å |
| 404 | Q | 73.3 | Confident | 68.1 | Low | 125 Ų | 125 | 121.8 Ų | 121.8 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63 | -29.8 | 175.9 | -74.5 | 175.3 | -8 | 0 | 0 | 113.3 | E400 R401 L406 | E400-Q404 WeakPolarHBondContact O-CB 3.43Å; E400-Q404 VanDerWaalsContact O-CG 3.31Å; E400-Q404 WeakPolarHBondContact O-CG 3.39Å; E400-Q404 PolarHBondContact O-N 3.43Å; R401-Q404 PolarHBondContact O-N 3.26Å; Q404-L406 VanDerWaalsContact C-N 3.26Å; Q404-L406 PolarHBondContact O-N 2.94Å |
| 405 | A | 75.1 | Confident | 65.9 | Low | 67 Ų | 67 | 128.5 Ų | 128.5 | 55% | 0.554 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.6 | -22.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R401 E402 F403 | R401-A405 VanDerWaalsContact O-CB 3.31Å; R401-A405 WeakPolarHBondContact O-CB 3.31Å; R401-A405 PolarHBondContact O-N 2.95Å; E402-A405 PolarHBondContact O-N 3.49Å; F403-A405 VanDerWaalsContact C-N 3.25Å; F403-A405 PolarHBondContact O-N 2.99Å |
| 406 | L | 70.4 | Confident | 63.9 | Low | 146 Ų | 146 | 133.2 Ų | 133.2 | 76% | 0.764 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -86.9 | -24.8 | 177.8 | -66.7 | 165.7 | 0 | 0 | 0 | 113 | E402 F403 Q404 | E402-L406 WeakPolarHBondContact O-CG 3.27Å; E402-L406 PolarHBondContact O-N 3.28Å; F403-L406 WeakPolarHBondContact O-CB 3.22Å; F403-L406 PolarHBondContact O-N 3.33Å; Q404-L406 VanDerWaalsContact C-N 3.26Å; Q404-L406 PolarHBondContact O-N 2.94Å |
| 407 | D | 64.4 | Low | 62 | Low | 111 Ų | 111 | 133 Ų | 133 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -89 | 8.4 | -178.8 | -106.7 | -3.3 | 0 | 0 | 0 | 114.4 | F403 E409 | F403-D407 PolarHBondContact O-N 2.85Å; D407-E409 PolarHBondContact O-N 2.79Å |
| 408 | K | 56.5 | Low | 60.6 | Low | 185 Ų | 185 | 135 Ų | 135 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 31 | -173.1 | -100.6 | -170.7 | 179.9 | -170.3 | 0 | 115.8 | ||
| 409 | E | 47.7 | Very low | 59.7 | Low | 184 Ų | 184 | 137.5 Ų | 137.5 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -14.2 | 173.6 | -80.1 | -167.2 | 168 | 0 | 0 | 115.7 | D407 | D407-E409 PolarHBondContact O-N 2.79Š|
| 410 | D | 46.3 | Very low | 59.3 | Low | 154 Ų | 154 | 133.4 Ų | 133.4 | 82% | 0.824 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -160.8 | 92.6 | 173.3 | -93.2 | -40.4 | 0 | 0 | 0 | 112.5 | ||
| 411 | S | 42 | Very low | 59.5 | Low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | trans | 167.5 | 107.7 | 146.1 | 41.1 | 0 | 0 | 0 | 0 | 111.3 | D413 | S411-D413 VanDerWaalsContact C-N 3.27Å; S411-D413 PolarHBondContact O-N 3.36Å | ||
| 412 | E | 43.1 | Very low | 59.8 | Low | 199 Ų | 199 | 126.5 Ų | 126.5 | 93% | 0.93 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -82.6 | 5 | 171.8 | -75.6 | -171.5 | 153 | 0 | 0 | 113.8 | ||
| 413 | D | 43.9 | Very low | 60.3 | Low | 143 Ų | 143 | 122.7 Ų | 122.7 | 77% | 0.765 | 65% | 0.649 | S | S | * | * | trans | -128 | 87.1 | -178.5 | -74.3 | -43.3 | 0 | 0 | 0 | 111.8 | S411 | S411-D413 VanDerWaalsContact C-N 3.27Å; S411-D413 PolarHBondContact O-N 3.36Å | ||
| 414 | Q | 40.1 | Very low | 61.1 | Low | 181 Ų | 181 | 117.2 Ų | 117.2 | 85% | 0.846 | 63% | 0.626 | S | S | * | * | trans | -174.1 | 66.9 | 152.1 | -105.2 | 166 | 54 | 0 | 0 | 112.9 | E416 | Q414-E416 PolarHBondContact O-N 3.42Š| ||
| 415 | E | 41.1 | Very low | 62.1 | Low | 202 Ų | 202 | 112.5 Ų | 112.5 | 94% | 0.944 | 60% | 0.604 | S | S | * | * | trans | -84.1 | 22.1 | 160.1 | -81.3 | -165.8 | 163.2 | 0 | 0 | 112.8 | A417 | E415-A417 VanDerWaalsContact C-N 3.31Å; E415-A417 PolarHBondContact O-N 3.22Å | ||
| 416 | E | 44.5 | Very low | 63 | Low | 167 Ų | 167 | 109.3 Ų | 109.3 | 78% | 0.78 | 58% | 0.578 | S | S | * | * | trans | -94.1 | 53.7 | 169 | -73.5 | -163 | 156.3 | 0 | 0 | 111.4 | Q414 | Q414-E416 PolarHBondContact O-N 3.42Š| ||
| 417 | A | 43.8 | Very low | 64.1 | Low | 79 Ų | 79 | 105.1 Ų | 105.1 | 65% | 0.653 | 55% | 0.554 | S | S | * | * | trans | -82.4 | 118.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E415 V419 | E415-A417 VanDerWaalsContact C-N 3.31Å; E415-A417 PolarHBondContact O-N 3.22Å; A417-V419 PolarHBondContact O-N 2.88Å | ||
| 418 | D | 53.3 | Low | 65.4 | Low | 103 Ų | 103 | 105.6 Ų | 105.6 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | trans | 60.2 | 43.5 | 158.6 | -160.1 | 33.2 | 0 | 0 | 0 | 117.9 | G420 | D418-G420 PolarHBondContact O-N 3.38Š| ||
| 419 | V | 65.6 | Low | 67.1 | Low | 95 Ų | 95 | 98.5 Ų | 98.5 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | trans | -87 | 100.7 | 166.8 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | A417 P437 | A417-V419 PolarHBondContact O-N 2.88Å; V419-P437 HydrophobicContact CB-CB 4.1Å; V419-P437 HydrophobicContact CG1-CB 3.95Å; V419-P437 WeakPolarHBondContact O-CB 3.5Å; V419-P437 WeakPolarHBondContact O-CG 3.45Å | ||
| 420 | G | 72.9 | Confident | 69.3 | Low | 41 Ų | 41 | 90.7 Ų | 90.7 | 42% | 0.423 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 164 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D418 | D418-G420 PolarHBondContact O-N 3.38Š|
| 421 | P | 85.9 | Confident | 71.6 | Confident | 60 Ų | 60 | 85.7 Ų | 85.7 | 39% | 0.39 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 148.1 | -176.6 | 26.7 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 422 | V | 88.7 | Confident | 74.1 | Confident | 43 Ų | 43 | 80.8 Ų | 80.8 | 26% | 0.261 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 136.1 | 173.3 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | L424 S434 V435 M443 | V422-L424 HydrophobicContact CG1-CD2 4.23Å; V422-L424 HydrophobicContact CG1-CG 4.42Å; V422-S434 CarbonylContact O-C 3.6Å; V422-S434 WeakPolarHBondContact O-CA 3.46Å; V422-V435 PolarHBondContact N-O 2.97Å; V422-V435 PolarHBondContact O-N 3.26Å; V422-M443 HydrophobicContact CG1-CE 4.08Å; V422-M443 HydrophobicContact CG1-SD 3.55Å; V422-M443 VanDerWaalsContact CG1-SD 3.55Å |
| 423 | W | 91.7 | Very high | 76.5 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.5 | 178.4 | -70.8 | 76.5 | 0 | 0 | 0 | 110.7 | L283 K286 W432 R433 E465 | L283-W423 HydrophobicContact CD1-CB 3.94Å; L283-W423 HydrophobicContact CD1-CD2 4.17Å; L283-W423 HydrophobicContact CD1-CE3 4.18Å; L283-W423 HydrophobicContact CD1-CG 4.09Å; K286-W423 HydrophobicContact CB-CG 4.18Å; K286-W423 HydrophobicContact CD-CZ2 4.45Å; K286-W423 HydrophobicContact CG-CD2 4.4Å; K286-W423 HydrophobicContact CG-CG 4.21Å; W423-W432 HydrophobicContact CB-CE3 4.06Å; W423-W432 HydrophobicContact CB-CZ3 4.43Å; W423-W432 HydrophobicContact CE3-CB 4.11Å; W423-R433 WeakPolarHBondContact CA-O 3.06Å; W423-E465 HydrophobicContact CH2-CB 3.97Å; W423-E465 HydrophobicContact CZ3-CB 4.07Å |
| 424 | L | 92.6 | Very high | 78.9 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.105 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.9 | 178.2 | -61.9 | 179.3 | 0 | 0 | 0 | 110.8 | V422 W432 R433 V435 Y440 M443 P444 W447 | V422-L424 HydrophobicContact CG1-CD2 4.23Å; V422-L424 HydrophobicContact CG1-CG 4.42Å; L424-W432 WeakPolarHBondContact O-CA 3.46Å; L424-R433 PolarHBondContact N-O 2.92Å; L424-R433 PolarHBondContact O-N 3.06Å; L424-V435 HydrophobicContact CD1-CG2 4.02Å; L424-V435 HydrophobicContact CG-CG2 4.41Å; L424-Y440 HydrophobicContact CD1-CD2 4.16Å; L424-Y440 HydrophobicContact CD1-CE2 3.84Å; L424-M443 HydrophobicContact CD2-SD 4.01Å; L424-P444 HydrophobicContact CD1-CG 4.05Å; L424-W447 HydrophobicContact CB-CD2 3.88Å; L424-W447 HydrophobicContact CB-CE3 3.82Å; L424-W447 HydrophobicContact CB-CG 4.29Å; L424-W447 HydrophobicContact CB-CZ3 4.29Å; L424-W447 HydrophobicContact CD1-CB 4.47Å; L424-W447 HydrophobicContact CD1-CD2 3.94Å; L424-W447 HydrophobicContact CD1-CG 3.76Å |
| 425 | Q | 94.2 | Very high | 81.4 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.8 | 175.7 | -174 | 178.7 | 51.3 | 0 | 0 | 110.2 | P268 L430 W432 | P268-Q425 PolarHBondContact O-NE2 3.4Å; Q425-L430 PolarHBondContact NE2-O 3.45Å; Q425-W432 HydrophobicContact CB-CD2 4.03Å; Q425-W432 HydrophobicContact CB-CE3 4.1Å; Q425-W432 HydrophobicContact CB-CH2 3.98Å; Q425-W432 HydrophobicContact CB-CZ2 3.88Å; Q425-W432 HydrophobicContact CB-CZ3 4.09Å; Q425-W432 HydrophobicContact CG-CZ2 4.41Å |
| 426 | C | 94.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -67 | 134.1 | 173.5 | 179 | 0 | 0 | 0 | 0 | 111.5 | E428 C429 L430 K431 W447 C449 | C426-E428 PolarHBondContact O-N 3.12Å; C426-C429 VanDerWaalsContact CB-SG 3.56Å; C426-L430 WeakPolarHBondContact O-CA 3.45Å; C426-L430 PolarHBondContact O-N 3.47Å; C426-K431 PolarHBondContact N-O 2.83Å; C426-W447 CarbonylContact C-O 3.44Å; C426-W447 WeakPolarHBondContact CA-O 3.42Å; C426-W447 HydrophobicContact CB-CE3 4.4Å; C426-W447 HydrophobicContact CB-CZ3 4.1Å; C426-C449 VanDerWaalsContact CB-SG 3.56Å; C426-C449 PolarHBondContact SG-N 3.45Å | ||
| 427 | E | 92.6 | Very high | 85.6 | Confident | 58 Ų | 58 | 45.5 Ų | 45.5 | 27% | 0.271 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32 | 179.2 | -60 | -160.8 | 141.7 | 0 | 0 | 115 | K278 N446 W447 | K278-E427 IonicContact NZ-OE1 3.16Å; K278-E427 PolarHBondContact NZ-OE1 3.45Å; E427-N446 VanDerWaalsContact OE1-CA 3.25Å; E427-N446 WeakPolarHBondContact OE1-CA 3.28Å; E427-N446 VanDerWaalsContact OE1-CB 3.31Å; E427-N446 WeakPolarHBondContact OE1-CB 3.34Å; E427-N446 VanDerWaalsContact OE1-CG 3.28Å; E427-N446 PolarHBondContact OE1-OD1 2.98Å; E427-W447 WeakPolarHBondContact CG-O 3.4Å; E427-W447 PolarHBondContact N-O 2.93Å |
| 428 | E | 92.3 | Very high | 87.4 | Confident | 121 Ų | 121 | 46.3 Ų | 46.3 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -47.4 | -172.3 | -60.5 | 178.4 | 172.6 | 0 | 0 | 112.1 | K48 C426 C460 | K48-E428 PolarHBondContact NZ-O 3.44Å; C426-E428 PolarHBondContact O-N 3.12Å; E428-C460 PolarHBondContact OE2-SG 3.01Å |
| 429 | C | 93.2 | Very high | 88.9 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -6.9 | -171.8 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | C426 K431 C460 | C426-C429 VanDerWaalsContact CB-SG 3.56Å; C429-K431 HydrophobicContact CB-CD 4.5Å; C429-K431 HydrophobicContact CB-CG 4.42Å; C429-K431 PolarHBondContact O-N 3.34Å; C429-C460 HydrophobicContact CB-CB 3.89Å |
| 430 | L | 93.4 | Very high | 89.8 | Confident | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | trans | 61.1 | 14.9 | 176.2 | -49.5 | 175.8 | 0 | 0 | 0 | 114.3 | K48 R269 Q271 Q425 C426 | K48-L430 HydrophobicContact CB-CD1 3.97Å; K48-L430 HydrophobicContact CD-CD1 4.4Å; K48-L430 HydrophobicContact CG-CD1 3.92Å; R269-L430 PolarHBondContact NH1-O 3.21Å; R269-L430 VanDerWaalsContact O-CD1 3.27Å; R269-L430 WeakPolarHBondContact O-CD1 3.46Å; Q271-L430 HydrophobicContact CG-CD2 3.9Å; Q425-L430 PolarHBondContact NE2-O 3.45Å; C426-L430 WeakPolarHBondContact O-CA 3.45Å; C426-L430 PolarHBondContact O-N 3.47Å | ||
| 431 | K | 94.3 | Very high | 90.2 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | trans | -79.3 | 144 | 174.9 | -64.4 | 174.7 | -175.7 | 163.5 | 0 | 110.9 | C426 C429 C460 S462 E464 | C426-K431 PolarHBondContact N-O 2.83Å; C429-K431 HydrophobicContact CB-CD 4.5Å; C429-K431 HydrophobicContact CB-CG 4.42Å; C429-K431 PolarHBondContact O-N 3.34Å; K431-C460 PolarHBondContact NZ-O 3.18Å; K431-S462 PolarHBondContact NZ-O 2.92Å; K431-E464 WeakPolarHBondContact CA-OE2 3.31Å; K431-E464 HydrophobicContact CB-CB 4.33Å; K431-E464 HydrophobicContact CB-CG 4.35Å; K431-E464 WeakPolarHBondContact CB-OE2 3.21Å; K431-E464 HydrophobicContact CD-CB 4.35Å; K431-E464 HydrophobicContact CG-CB 4.24Å | ||
| 432 | W | 94.4 | Very high | 90 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 3% | 0.03 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134.5 | 175.4 | -73.3 | 90.5 | 0 | 0 | 0 | 110.9 | P268 A281 L283 W423 L424 Q425 E464 | P268-W432 HydrophobicContact CB-CZ2 4.02Å; P268-W432 HydrophobicContact CG-CZ2 3.84Å; P268-W432 PolarHBondContact O-NE1 3.11Å; A281-W432 HydrophobicContact CB-CH2 4.47Å; A281-W432 HydrophobicContact CB-CZ2 4.48Å; A281-W432 WeakPolarHBondContact O-CH2 3.18Å; L283-W432 HydrophobicContact CD1-CB 4.24Å; L283-W432 HydrophobicContact CD1-CD2 3.78Å; L283-W432 HydrophobicContact CD1-CE3 3.76Å; L283-W432 HydrophobicContact CD1-CG 4Å; L283-W432 HydrophobicContact CD1-CZ3 4.4Å; L283-W432 HydrophobicContact CD2-CD2 4.19Å; L283-W432 HydrophobicContact CD2-CZ2 4.33Å; L283-W432 HydrophobicContact CG-CD2 3.96Å; L283-W432 HydrophobicContact CG-CE3 3.93Å; L283-W432 HydrophobicContact CG-CH2 4.34Å; L283-W432 HydrophobicContact CG-CZ2 4.38Å; L283-W432 HydrophobicContact CG-CZ3 4.12Å; W423-W432 HydrophobicContact CB-CE3 4.06Å; W423-W432 HydrophobicContact CB-CZ3 4.43Å; W423-W432 HydrophobicContact CE3-CB 4.11Å; L424-W432 WeakPolarHBondContact O-CA 3.46Å; Q425-W432 HydrophobicContact CB-CD2 4.03Å; Q425-W432 HydrophobicContact CB-CE3 4.1Å; Q425-W432 HydrophobicContact CB-CH2 3.98Å; Q425-W432 HydrophobicContact CB-CZ2 3.88Å; Q425-W432 HydrophobicContact CB-CZ3 4.09Å; Q425-W432 HydrophobicContact CG-CZ2 4.41Å; W432-E464 PolarHBondContact N-OE2 2.87Å |
| 433 | R | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.6 | -177.1 | -58.4 | -59.5 | -171.4 | -168.3 | -3.3 | 110.7 | W423 L424 W447 S462 P463 E465 | W423-R433 WeakPolarHBondContact CA-O 3.06Å; L424-R433 PolarHBondContact N-O 2.92Å; L424-R433 PolarHBondContact O-N 3.06Å; R433-W447 HydrophobicContact CB-CH2 3.48Å; R433-W447 VanDerWaalsContact CB-CH2 3.48Å; R433-W447 HydrophobicContact CB-CZ2 4.48Å; R433-W447 HydrophobicContact CB-CZ3 3.87Å; R433-W447 HydrophobicContact CG-CH2 3.58Å; R433-W447 HydrophobicContact CG-CZ3 3.76Å; R433-S462 PolarHBondContact NH2-O 3.3Å; R433-P463 PolarHBondContact NH1-O 3.49Å; R433-P463 PolarHBondContact NH2-O 3.32Å; R433-E465 WeakPolarHBondContact CA-OE1 3.4Å |
| 434 | S | 92.9 | Very high | 89.5 | Confident | 24 Ų | 24 | 56 Ų | 56 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 143.2 | 169.6 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | V422 E465 | V422-S434 CarbonylContact O-C 3.6Å; V422-S434 WeakPolarHBondContact O-CA 3.46Å; S434-E465 WeakPolarHBondContact CB-OE2 3.34Å; S434-E465 PolarHBondContact N-OE1 2.71Å; S434-E465 PolarHBondContact OG-OE1 3.38Å; S434-E465 PolarHBondContact OG-OE2 2.89Å |
| 435 | V | 92 | Very high | 88.9 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.8 | 172.6 | 179 | 0 | 0 | 0 | 0 | 106.8 | V422 L424 H439 Y440 W447 P453 | V422-V435 PolarHBondContact N-O 2.97Å; V422-V435 PolarHBondContact O-N 3.26Å; L424-V435 HydrophobicContact CD1-CG2 4.02Å; L424-V435 HydrophobicContact CG-CG2 4.41Å; V435-H439 HydrophobicContact CG1-CB 3.74Å; V435-Y440 HydrophobicContact CG1-CD2 4.23Å; V435-Y440 HydrophobicContact CG1-CE2 3.97Å; V435-W447 HydrophobicContact CG2-CZ2 4.16Å; V435-P453 HydrophobicContact CG1-CG 4.11Å |
| 436 | P | 90.1 | Very high | 88.6 | Confident | 69 Ų | 69 | 64 Ų | 64 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | trans | -51.3 | 145.5 | 176.1 | -27.7 | 35.6 | 0 | 0 | 0 | 112.3 | H439 P453 | P436-H439 WeakPolarHBondContact O-CB 3.5Å; P436-H439 PolarHBondContact O-N 2.75Å; P436-P453 HydrophobicContact CG-CG 4.4Å | ||
| 437 | P | 83.9 | Confident | 88.6 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 151.8 | 174.8 | 28.6 | -36.4 | 0 | 0 | 0 | 110.3 | V419 H439 | V419-P437 HydrophobicContact CB-CB 4.1Å; V419-P437 HydrophobicContact CG1-CB 3.95Å; V419-P437 WeakPolarHBondContact O-CB 3.5Å; V419-P437 WeakPolarHBondContact O-CG 3.45Å; P437-H439 PolarHBondContact O-N 3Å |
| 438 | C | 81.7 | Confident | 88.8 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 3 | 178.2 | -57 | 0 | 0 | 0 | 0 | 116.6 | Y440 | C438-Y440 VanDerWaalsContact C-N 3.26Å; C438-Y440 PolarHBondContact O-N 3.42Å |
| 439 | H | 85.8 | Confident | 89 | Confident | 93 Ų | 93 | 56.4 Ų | 56.4 | 43% | 0.431 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -59.5 | -37.3 | 179.6 | -178 | 67 | 0 | 0 | 0 | 112.8 | V435 P436 P437 | V435-H439 HydrophobicContact CG1-CB 3.74Å; P436-H439 WeakPolarHBondContact O-CB 3.5Å; P436-H439 PolarHBondContact O-N 2.75Å; P437-H439 PolarHBondContact O-N 3Å |
| 440 | Y | 84.3 | Confident | 89.1 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | trans | -112.4 | 121.3 | 173.1 | -63.8 | -71.6 | 0 | 0 | 0 | 109.6 | L424 V435 C438 V442 M443 P444 W447 Q451 | L424-Y440 HydrophobicContact CD1-CD2 4.16Å; L424-Y440 HydrophobicContact CD1-CE2 3.84Å; V435-Y440 HydrophobicContact CG1-CD2 4.23Å; V435-Y440 HydrophobicContact CG1-CE2 3.97Å; C438-Y440 VanDerWaalsContact C-N 3.26Å; C438-Y440 PolarHBondContact O-N 3.42Å; Y440-V442 VanDerWaalsContact C-N 3.3Å; Y440-V442 PolarHBondContact O-N 3.02Å; Y440-M443 HydrophobicContact CD2-CE 4.04Å; Y440-M443 HydrophobicContact CG-CE 4.23Å; Y440-P444 HydrophobicContact CD1-CG 4.49Å; Y440-P444 HydrophobicContact CD2-CG 4.28Å; Y440-P444 HydrophobicContact CE1-CG 4.46Å; Y440-P444 HydrophobicContact CE2-CG 4.25Å; Y440-P444 HydrophobicContact CG-CG 4.42Å; Y440-W447 AromaticContact CE2-NE1 3.99Å; Y440-W447 AromaticContact CZ-NE1 3.94Å; Y440-W447 PolarHBondContact OH-NE1 3.48Å; Y440-Q451 PolarHBondContact OH-O 3.33Å | ||
| 441 | K | 80.7 | Confident | 89.2 | Confident | 217 Ų | 217 | 61.9 Ų | 61.9 | 94% | 0.943 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -62.5 | -39.1 | 173.2 | -66 | -174.6 | 178.8 | -176.6 | 0 | 112 | ||
| 442 | V | 83 | Confident | 89.2 | Confident | 122 Ų | 122 | 59.7 Ų | 59.7 | 74% | 0.739 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -122.6 | 128 | 173.8 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | Y440 | Y440-V442 VanDerWaalsContact C-N 3.3Å; Y440-V442 PolarHBondContact O-N 3.02Å |
| 443 | M | 82.4 | Confident | 89.2 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | trans | -60 | 126.3 | 179.5 | -70.7 | -77 | 84.3 | 0 | 0 | 110.4 | V422 L424 Y440 E445 | V422-M443 HydrophobicContact CG1-CE 4.08Å; V422-M443 HydrophobicContact CG1-SD 3.55Å; V422-M443 VanDerWaalsContact CG1-SD 3.55Å; L424-M443 HydrophobicContact CD2-SD 4.01Å; Y440-M443 HydrophobicContact CD2-CE 4.04Å; Y440-M443 HydrophobicContact CG-CE 4.23Å; M443-E445 PolarHBondContact O-N 3.42Å | ||
| 444 | P | 85.9 | Confident | 89.1 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | trans | -65.2 | 133.8 | -179.7 | 26.4 | -33 | 0 | 0 | 0 | 109.5 | L424 Y440 W447 | L424-P444 HydrophobicContact CD1-CG 4.05Å; Y440-P444 HydrophobicContact CD1-CG 4.49Å; Y440-P444 HydrophobicContact CD2-CG 4.28Å; Y440-P444 HydrophobicContact CE1-CG 4.46Å; Y440-P444 HydrophobicContact CE2-CG 4.25Å; Y440-P444 HydrophobicContact CG-CG 4.42Å; P444-W447 HydrophobicContact CG-CB 4.12Å; P444-W447 HydrophobicContact CG-CG 4.3Å | ||
| 445 | E | 80.8 | Confident | 89.1 | Confident | 118 Ų | 118 | 67.9 Ų | 67.9 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -64 | -49.1 | 170.7 | -70.5 | -169.6 | 168.7 | 0 | 0 | 109.1 | K278 M443 | K278-E445 WeakPolarHBondContact CE-O 3.3Å; K278-E445 PolarHBondContact NZ-O 3.1Å; M443-E445 PolarHBondContact O-N 3.42Å |
| 446 | N | 88.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 76.5 Ų | 76.5 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -107.9 | 127.7 | -179.8 | -58.3 | -22 | 0 | 0 | 0 | 111.1 | E427 | E427-N446 VanDerWaalsContact OE1-CA 3.25Å; E427-N446 WeakPolarHBondContact OE1-CA 3.28Å; E427-N446 VanDerWaalsContact OE1-CB 3.31Å; E427-N446 WeakPolarHBondContact OE1-CB 3.34Å; E427-N446 VanDerWaalsContact OE1-CG 3.28Å; E427-N446 PolarHBondContact OE1-OD1 2.98Å |
| 447 | W | 94 | Very high | 89.3 | Confident | 5 Ų | 5 | 74.9 Ų | 74.9 | 2% | 0.019 | 39% | 0.388 | C | S | . | . | trans | -147.1 | 130.5 | -175.1 | -172.3 | 86.5 | 0 | 0 | 0 | 112.4 | L424 C426 E427 R433 V435 Y440 P444 N452 | L424-W447 HydrophobicContact CB-CD2 3.88Å; L424-W447 HydrophobicContact CB-CE3 3.82Å; L424-W447 HydrophobicContact CB-CG 4.29Å; L424-W447 HydrophobicContact CB-CZ3 4.29Å; L424-W447 HydrophobicContact CD1-CB 4.47Å; L424-W447 HydrophobicContact CD1-CD2 3.94Å; L424-W447 HydrophobicContact CD1-CG 3.76Å; C426-W447 CarbonylContact C-O 3.44Å; C426-W447 WeakPolarHBondContact CA-O 3.42Å; C426-W447 HydrophobicContact CB-CE3 4.4Å; C426-W447 HydrophobicContact CB-CZ3 4.1Å; E427-W447 WeakPolarHBondContact CG-O 3.4Å; E427-W447 PolarHBondContact N-O 2.93Å; R433-W447 HydrophobicContact CB-CH2 3.48Å; R433-W447 VanDerWaalsContact CB-CH2 3.48Å; R433-W447 HydrophobicContact CB-CZ2 4.48Å; R433-W447 HydrophobicContact CB-CZ3 3.87Å; R433-W447 HydrophobicContact CG-CH2 3.58Å; R433-W447 HydrophobicContact CG-CZ3 3.76Å; V435-W447 HydrophobicContact CG2-CZ2 4.16Å; Y440-W447 AromaticContact CE2-NE1 3.99Å; Y440-W447 AromaticContact CZ-NE1 3.94Å; Y440-W447 PolarHBondContact OH-NE1 3.48Å; P444-W447 HydrophobicContact CG-CB 4.12Å; P444-W447 HydrophobicContact CG-CG 4.3Å; W447-N452 HydrophobicContact CH2-CB 4.1Å; W447-N452 HydrophobicContact CZ2-CB 3.79Å | ||
| 448 | S | 95.8 | Very high | 89.9 | Confident | 14 Ų | 14 | 78 Ų | 78 | 10% | 0.098 | 39% | 0.393 | C | S | . | . | trans | -120.1 | 161.5 | 178.8 | 68.5 | 0 | 0 | 0 | 0 | 111.7 | S450 Q451 | S448-S450 PolarHBondContact O-N 3.43Å; S448-S450 VanDerWaalsContact O-N 3.14Å; S448-S450 PolarHBondContact OG-OG 3.31Å; S448-Q451 PolarHBondContact O-N 3.34Å; S448-Q451 PolarHBondContact OG-OE1 3.29Å | ||
| 449 | C | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -56 | -33.2 | 177.7 | -71.1 | 0 | 0 | 0 | 0 | 111.9 | C426 Q451 N452 R458 | C426-C449 VanDerWaalsContact CB-SG 3.56Å; C426-C449 PolarHBondContact SG-N 3.45Å; C449-Q451 PolarHBondContact O-N 3.34Å; C449-Q451 VanDerWaalsContact O-N 3.1Å; C449-N452 WeakPolarHBondContact O-CB 3.33Å; C449-N452 PolarHBondContact O-N 2.67Å; C449-R458 CarbonylContact C-O 3.5Å; C449-R458 CarbonylContact O-C 3.59Å; C449-R458 WeakPolarHBondContact O-CA 3.28Å |
| 450 | S | 96.1 | Very high | 91 | Very high | 77 Ų | 77 | 73 Ų | 73 | 54% | 0.538 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -58.4 | -25.2 | 179.6 | 72.1 | 0 | 0 | 0 | 0 | 114 | S448 N452 R458 | S448-S450 PolarHBondContact O-N 3.43Å; S448-S450 VanDerWaalsContact O-N 3.14Å; S448-S450 PolarHBondContact OG-OG 3.31Å; S450-N452 VanDerWaalsContact C-N 3.33Å; S450-R458 WeakPolarHBondContact CA-O 3.3Å; S450-R458 PolarHBondContact N-O 2.49Å; S450-R458 WeakPolarHBondContact O-CD 3.41Å; S450-R458 WeakPolarHBondContact O-CG 3.49Å |
| 451 | Q | 95 | Very high | 91.6 | Very high | 94 Ų | 94 | 75 Ų | 75 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -90 | 5.9 | 179.3 | -61.2 | 166.7 | -78.6 | 0 | 0 | 112.7 | Y440 S448 C449 | Y440-Q451 PolarHBondContact OH-O 3.33Å; S448-Q451 PolarHBondContact O-N 3.34Å; S448-Q451 PolarHBondContact OG-OE1 3.29Å; C449-Q451 PolarHBondContact O-N 3.34Å; C449-Q451 VanDerWaalsContact O-N 3.1Å |
| 452 | N | 94.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | trans | -72.4 | 126.1 | 178.9 | -163.6 | -37.7 | 0 | 0 | 0 | 110.6 | W447 C449 S450 N454 R458 | W447-N452 HydrophobicContact CH2-CB 4.1Å; W447-N452 HydrophobicContact CZ2-CB 3.79Å; C449-N452 WeakPolarHBondContact O-CB 3.33Å; C449-N452 PolarHBondContact O-N 2.67Å; S450-N452 VanDerWaalsContact C-N 3.33Å; N452-N454 PolarHBondContact O-N 3.31Å; N452-N454 WeakPolarHBondContact OD1-CB 3.46Å; N452-N454 PolarHBondContact OD1-N 2.94Å; N452-R458 PolarHBondContact O-NE 2.77Å | ||
| 453 | P | 93.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -60.4 | -33.3 | 174.5 | 23.7 | -33.5 | 0 | 0 | 0 | 112 | V435 P436 P455 R458 | V435-P453 HydrophobicContact CG1-CG 4.11Å; P436-P453 HydrophobicContact CG-CG 4.4Å; P453-P455 VanDerWaalsContact O-CD 3.25Å; P453-P455 WeakPolarHBondContact O-CD 3.41Å; P453-R458 PolarHBondContact O-NH2 2.97Å; P453-R458 VanDerWaalsContact O-NH2 3.12Å |
| 454 | N | 92.6 | Very high | 93.2 | Very high | 64 Ų | 64 | 63 Ų | 63 | 34% | 0.342 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -74.8 | 113.5 | 176.1 | -172.4 | -23.5 | 0 | 0 | 0 | 111.3 | N452 R456 Y457 R458 | N452-N454 PolarHBondContact O-N 3.31Å; N452-N454 WeakPolarHBondContact OD1-CB 3.46Å; N452-N454 PolarHBondContact OD1-N 2.94Å; N454-R456 PolarHBondContact O-N 3.3Å; N454-R456 VanDerWaalsContact O-N 3.15Å; N454-R456 WeakPolarHBondContact OD1-CB 3.39Å; N454-R456 PolarHBondContact OD1-N 3.05Å; N454-Y457 HydrophobicContact CB-CD2 4.32Å; N454-Y457 PolarHBondContact O-N 2.86Å; N454-Y457 VanDerWaalsContact O-N 3.13Å; N454-R458 PolarHBondContact O-N 3.49Å |
| 455 | P | 93.4 | Very high | 93.3 | Very high | 98 Ų | 98 | 62.9 Ų | 62.9 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -59 | -29.7 | -177.7 | -24.1 | 35.2 | 0 | 0 | 0 | 114 | P453 Y457 R458 | P453-P455 VanDerWaalsContact O-CD 3.25Å; P453-P455 WeakPolarHBondContact O-CD 3.41Å; P455-Y457 PolarHBondContact O-N 2.61Å; P455-R458 PolarHBondContact O-N 3.05Å |
| 456 | R | 93.1 | Very high | 92.8 | Very high | 184 Ų | 184 | 61.3 Ų | 61.3 | 69% | 0.694 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -63.1 | -29.4 | -179.7 | -172 | 175.7 | -178.7 | 165.7 | -0.1 | 112.8 | N454 S462 | N454-R456 PolarHBondContact O-N 3.3Å; N454-R456 VanDerWaalsContact O-N 3.15Å; N454-R456 WeakPolarHBondContact OD1-CB 3.39Å; N454-R456 PolarHBondContact OD1-N 3.05Å; R456-S462 PolarHBondContact O-OG 2.74Å |
| 457 | Y | 93.8 | Very high | 91.4 | Very high | 35 Ų | 35 | 60.2 Ų | 60.2 | 14% | 0.137 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -112.4 | 16.5 | -176.1 | -59 | -61.6 | 0 | 0 | 0 | 112.9 | N454 P455 S459 E465 | N454-Y457 HydrophobicContact CB-CD2 4.32Å; N454-Y457 PolarHBondContact O-N 2.86Å; N454-Y457 VanDerWaalsContact O-N 3.13Å; P455-Y457 PolarHBondContact O-N 2.61Å; Y457-S459 PolarHBondContact O-N 3.29Å; Y457-E465 HydrophobicContact CD1-CG 4.06Å; Y457-E465 HydrophobicContact CD2-CG 4.11Å; Y457-E465 HydrophobicContact CE1-CG 3.5Å; Y457-E465 HydrophobicContact CE2-CG 3.59Å; Y457-E465 HydrophobicContact CG-CG 4.33Å |
| 458 | R | 95.5 | Very high | 89.3 | Confident | 121 Ų | 121 | 68.5 Ų | 68.5 | 46% | 0.457 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -76 | -0.2 | 179.7 | -155.3 | 174.9 | -69.6 | 163.7 | 0.2 | 114.4 | C449 S450 N452 P453 N454 P455 | C449-R458 CarbonylContact C-O 3.5Å; C449-R458 CarbonylContact O-C 3.59Å; C449-R458 WeakPolarHBondContact O-CA 3.28Å; S450-R458 WeakPolarHBondContact CA-O 3.3Å; S450-R458 PolarHBondContact N-O 2.49Å; S450-R458 WeakPolarHBondContact O-CD 3.41Å; S450-R458 WeakPolarHBondContact O-CG 3.49Å; N452-R458 PolarHBondContact O-NE 2.77Å; P453-R458 PolarHBondContact O-NH2 2.97Å; P453-R458 VanDerWaalsContact O-NH2 3.12Å; N454-R458 PolarHBondContact O-N 3.49Å; P455-R458 PolarHBondContact O-N 3.05Å |
| 459 | S | 95.9 | Very high | 86.7 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -121.9 | 141.9 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 112.5 | Y457 S461 S462 | Y457-S459 PolarHBondContact O-N 3.29Å; S459-S461 PolarHBondContact O-N 3.39Å; S459-S461 PolarHBondContact OG-N 2.8Å; S459-S461 VanDerWaalsContact OG-N 3.09Å; S459-S461 PolarHBondContact OG-OG 3.1Å; S459-S462 WeakPolarHBondContact O-CB 3.33Å; S459-S462 PolarHBondContact O-N 3.37Å; S459-S462 PolarHBondContact O-OG 2.92Å |
| 460 | C | 96.1 | Very high | 84.1 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 22% | 0.223 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.3 | 170.4 | -76 | 0 | 0 | 0 | 0 | 112.8 | E428 C429 K431 | E428-C460 PolarHBondContact OE2-SG 3.01Å; C429-C460 HydrophobicContact CB-CB 3.89Å; K431-C460 PolarHBondContact NZ-O 3.18Å |
| 461 | S | 95.2 | Very high | 81.4 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 70% | 0.699 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -27.1 | 174.6 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | S459 | S459-S461 PolarHBondContact O-N 3.39Å; S459-S461 PolarHBondContact OG-N 2.8Å; S459-S461 VanDerWaalsContact OG-N 3.09Å; S459-S461 PolarHBondContact OG-OG 3.1Å |
| 462 | S | 94.3 | Very high | 79.2 | Confident | 23 Ų | 23 | 84.3 Ų | 84.3 | 16% | 0.161 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -56.3 | 138.8 | 179.5 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | K431 R433 R456 S459 | K431-S462 PolarHBondContact NZ-O 2.92Å; R433-S462 PolarHBondContact NH2-O 3.3Å; R456-S462 PolarHBondContact O-OG 2.74Å; S459-S462 WeakPolarHBondContact O-CB 3.33Å; S459-S462 PolarHBondContact O-N 3.37Å; S459-S462 PolarHBondContact O-OG 2.92Å |
| 463 | P | 92.6 | Very high | 77.6 | Confident | 101 Ų | 101 | 88.5 Ų | 88.5 | 66% | 0.656 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 147 | 175.4 | 26.5 | -33.9 | 0 | 0 | 0 | 109.4 | R433 | R433-P463 PolarHBondContact NH1-O 3.49Å; R433-P463 PolarHBondContact NH2-O 3.32Å |
| 464 | E | 92.9 | Very high | 76.4 | Confident | 37 Ų | 37 | 90.1 Ų | 90.1 | 17% | 0.173 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 144 | 171.3 | -172.8 | 164.8 | 107.8 | 0 | 0 | 109.4 | K267 R269 K431 W432 A466 | K267-E464 WeakPolarHBondContact CE-OE1 3.34Å; K267-E464 IonicContact NZ-OE1 3.74Å; K267-E464 PolarHBondContact NZ-OE1 2.78Å; R269-E464 IonicContact CZ-OE1 2.81Å; R269-E464 IonicContact CZ-OE2 3.56Å; R269-E464 IonicContact NH1-OE1 2.74Å; R269-E464 IonicContact NH1-OE2 3.24Å; R269-E464 PolarHBondContact NH1-OE2 3.28Å; R269-E464 IonicContact NH2-OE1 2.79Å; R269-E464 PolarHBondContact NH2-OE1 3.05Å; R269-E464 IonicContact NH2-OE2 3.58Å; R269-E464 PolarHBondContact NH2-OE2 3.07Å; K431-E464 WeakPolarHBondContact CA-OE2 3.31Å; K431-E464 HydrophobicContact CB-CB 4.33Å; K431-E464 HydrophobicContact CB-CG 4.35Å; K431-E464 WeakPolarHBondContact CB-OE2 3.21Å; K431-E464 HydrophobicContact CD-CB 4.35Å; K431-E464 HydrophobicContact CG-CB 4.24Å; W432-E464 PolarHBondContact N-OE2 2.87Å; E464-A466 PolarHBondContact O-N 2.73Å |
| 465 | E | 89 | Confident | 75.3 | Confident | 25 Ų | 25 | 89.8 Ų | 89.8 | 12% | 0.117 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 117.7 | 172.1 | -76.3 | 168.3 | -110 | 0 | 0 | 108.1 | W423 R433 S434 Y457 E467 | W423-E465 HydrophobicContact CH2-CB 3.97Å; W423-E465 HydrophobicContact CZ3-CB 4.07Å; R433-E465 WeakPolarHBondContact CA-OE1 3.4Å; S434-E465 WeakPolarHBondContact CB-OE2 3.34Å; S434-E465 PolarHBondContact N-OE1 2.71Å; S434-E465 PolarHBondContact OG-OE1 3.38Å; S434-E465 PolarHBondContact OG-OE2 2.89Å; Y457-E465 HydrophobicContact CD1-CG 4.06Å; Y457-E465 HydrophobicContact CD2-CG 4.11Å; Y457-E465 HydrophobicContact CE1-CG 3.5Å; Y457-E465 HydrophobicContact CE2-CG 3.59Å; Y457-E465 HydrophobicContact CG-CG 4.33Å; E465-E467 PolarHBondContact O-N 3.45Å |
| 466 | A | 69.9 | Low | 74.5 | Confident | 85 Ų | 85 | 88.1 Ų | 88.1 | 70% | 0.702 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 131.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | E464 E468 | E464-A466 PolarHBondContact O-N 2.73Å; A466-E468 PolarHBondContact O-N 2.8Å |
| 467 | E | 60.3 | Low | 73.4 | Confident | 76 Ų | 76 | 80.1 Ų | 80.1 | 36% | 0.355 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 141.9 | 152.4 | -71.8 | 170 | -141.8 | 0 | 0 | 105.4 | K267 E465 S469 | K267-E467 WeakPolarHBondContact CE-OE1 3.38Å; K267-E467 IonicContact NZ-OE1 3.86Å; K267-E467 PolarHBondContact NZ-OE1 3.21Å; E465-E467 PolarHBondContact O-N 3.45Å; E467-S469 WeakPolarHBondContact O-CB 3.32Å; E467-S469 PolarHBondContact O-N 2.92Å; E467-S469 PolarHBondContact O-OG 3.04Å; E467-S469 VanDerWaalsContact O-OG 3.05Å |
| 468 | E | 48.9 | Very low | 71.9 | Confident | 178 Ų | 178 | 84.5 Ų | 84.5 | 83% | 0.832 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -56.3 | 89.2 | 164.7 | -70 | 176.9 | 170.7 | 0 | 0 | 107.3 | A466 | A466-E468 PolarHBondContact O-N 2.8Š|
| 469 | S | 40.6 | Very low | 70.8 | Confident | 95 Ų | 95 | 81.2 Ų | 81.2 | 66% | 0.664 | 47% | 0.473 | S | S | * | . | trans | -142.6 | 100.7 | -170.3 | 66.9 | 0 | 0 | 0 | 0 | 105.9 | E467 | E467-S469 WeakPolarHBondContact O-CB 3.32Å; E467-S469 PolarHBondContact O-N 2.92Å; E467-S469 PolarHBondContact O-OG 3.04Å; E467-S469 VanDerWaalsContact O-OG 3.05Å | ||
| 470 | G | 41.7 | Very low | 69.2 | Low | 71 Ų | 71 | 80.4 Ų | 80.4 | 73% | 0.732 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 165 | -57.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 471 | E | 39.8 | Very low | 67.5 | Low | 191 Ų | 191 | 80.4 Ų | 80.4 | 89% | 0.893 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -94.5 | -6.7 | -153.3 | -71.2 | -171.8 | 164 | 0 | 0 | 116.5 | ||
| 472 | Q | 48.8 | Very low | 66.1 | Low | 160 Ų | 160 | 79.2 Ų | 79.2 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | trans | -162.5 | 109.4 | 161.4 | -104.2 | 149.4 | 53.1 | 0 | 0 | 110.6 | T474 | Q472-T474 HydrophobicContact CB-CG2 4Å; Q472-T474 HydrophobicContact CG-CG2 4.09Å; Q472-T474 PolarHBondContact O-N 2.84Å | ||
| 473 | L | 62.5 | Low | 64.4 | Low | 89 Ų | 89 | 83.6 Ų | 83.6 | 47% | 0.466 | 46% | 0.463 | S | S | . | . | trans | -70.5 | 76.4 | 162 | -75.4 | 169.5 | 0 | 0 | 0 | 108.1 | V295 K304 K306 | V295-L473 HydrophobicContact CG1-CB 4.34Å; V295-L473 HydrophobicContact CG2-CB 4.07Å; K304-L473 HydrophobicContact CB-CD1 3.81Å; K304-L473 HydrophobicContact CD-CD1 4.34Å; K306-L473 HydrophobicContact CB-CD2 4.35Å | ||
| 474 | T | 66.8 | Low | 62.8 | Low | 76 Ų | 76 | 84.5 Ų | 84.5 | 47% | 0.466 | 46% | 0.461 | S | S | . | . | trans | -118.8 | 150.4 | 173.2 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | Q472 | Q472-T474 HydrophobicContact CB-CG2 4Å; Q472-T474 HydrophobicContact CG-CG2 4.09Å; Q472-T474 PolarHBondContact O-N 2.84Å | ||
| 475 | P | 70.9 | Confident | 61 | Low | 57 Ų | 57 | 87.1 Ų | 87.1 | 37% | 0.37 | 47% | 0.473 | S | S | . | . | trans | -60.2 | 138.9 | 170.5 | -20.9 | 33.3 | 0 | 0 | 0 | 110.6 | H293 Y477 | H293-P475 CarbonylContact O-C 3.56Å; H293-P475 VanDerWaalsContact O-CA 3.28Å; H293-P475 WeakPolarHBondContact O-CA 3.2Å; P475-Y477 VanDerWaalsContact C-N 3.3Å | ||
| 476 | S | 75.6 | Confident | 59.5 | Low | 64 Ų | 64 | 94.7 Ų | 94.7 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -77.1 | -17.1 | 178.9 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | E292 H293 | E292-S476 WeakPolarHBondContact CA-OG 3.19Å; E292-S476 VanDerWaalsContact OE2-CB 3.28Å; E292-S476 WeakPolarHBondContact OE2-CB 3.34Å; E292-S476 PolarHBondContact OE2-OG 3.5Å; H293-S476 PolarHBondContact N-OG 3.23Å; H293-S476 PolarHBondContact O-N 2.99Å; H293-S476 PolarHBondContact O-OG 2.93Å |
| 477 | Y | 69.6 | Low | 58.6 | Low | 16 Ų | 16 | 95.7 Ų | 95.7 | 6% | 0.063 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -118.4 | 146.3 | 179.4 | 68.1 | -80.8 | 0 | 0 | 0 | 112.1 | E292 D294 D388 E392 P475 K479 | E292-Y477 HydrophobicContact CB-CD1 3.94Å; E292-Y477 HydrophobicContact CB-CE1 4.45Å; E292-Y477 HydrophobicContact CG-CD1 4.4Å; D294-Y477 HydrophobicContact CB-CE1 4.26Å; D294-Y477 PolarHBondContact OD2-OH 2.88Å; D294-Y477 VanDerWaalsContact OD2-OH 3.1Å; D388-Y477 HydrophobicContact CB-CE2 4.15Å; D388-Y477 WeakPolarHBondContact CB-OH 3.49Å; E392-Y477 HydrophobicContact CB-CD2 3.97Å; E392-Y477 HydrophobicContact CB-CE2 4.42Å; E392-Y477 HydrophobicContact CG-CD2 3.87Å; E392-Y477 HydrophobicContact CG-CG 4.35Å; P475-Y477 VanDerWaalsContact C-N 3.3Å; Y477-K479 HydrophobicContact CE2-CG 4.07Å |
| 478 | Q | 63.2 | Low | 58.2 | Low | 126 Ų | 126 | 95.8 Ų | 95.8 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | trans | -80.9 | 135.9 | 174.3 | -60.2 | -164.7 | 15 | 0 | 0 | 109.4 | S480 | Q478-S480 PolarHBondContact O-N 3.23Å; Q478-S480 PolarHBondContact O-OG 3.12Å | ||
| 479 | K | 72.4 | Confident | 58.3 | Low | 52 Ų | 52 | 94.6 Ų | 94.6 | 23% | 0.226 | 50% | 0.497 | C | S | . | . | trans | -82.2 | 66.7 | 177.1 | -60.4 | -173.2 | 179.9 | -157 | 0 | 110 | D294 D388 Y477 H481 K482 K483 | D294-K479 IonicContact OD1-NZ 3.98Å; D294-K479 IonicContact OD2-NZ 2.87Å; D294-K479 PolarHBondContact OD2-NZ 3.03Å; D388-K479 WeakPolarHBondContact OD2-CD 3.31Å; D388-K479 WeakPolarHBondContact OD2-CE 3.46Å; D388-K479 IonicContact OD2-NZ 2.78Å; D388-K479 PolarHBondContact OD2-NZ 2.92Å; Y477-K479 HydrophobicContact CE2-CG 4.07Å; K479-H481 VanDerWaalsContact C-N 3.31Å; K479-H481 PolarHBondContact O-N 3.18Å; K479-K482 HydrophobicContact CB-CB 4.18Å; K479-K482 HydrophobicContact CB-CD 4.15Å; K479-K482 HydrophobicContact CB-CG 4.31Å; K479-K482 HydrophobicContact CD-CD 4.09Å; K479-K482 WeakPolarHBondContact O-CB 3.45Å; K479-K482 PolarHBondContact O-N 3.14Å; K479-K483 PolarHBondContact O-N 3.3Å | ||
| 480 | S | 62.6 | Low | 58.7 | Low | 33 Ų | 33 | 94.1 Ų | 94.1 | 23% | 0.231 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -49.2 | -47.5 | -169.4 | -44.8 | 0 | 0 | 0 | 0 | 112.6 | E392 Q478 K482 K483 L484 | E392-S480 PolarHBondContact OE2-OG 3.32Å; Q478-S480 PolarHBondContact O-N 3.23Å; Q478-S480 PolarHBondContact O-OG 3.12Å; S480-K482 VanDerWaalsContact C-N 3.32Å; S480-K482 PolarHBondContact O-N 3.46Å; S480-K483 WeakPolarHBondContact O-CB 3.45Å; S480-K483 PolarHBondContact O-N 3.16Å; S480-K483 VanDerWaalsContact O-N 3.12Å; S480-L484 PolarHBondContact O-N 3.01Å; S480-L484 VanDerWaalsContact O-N 3.12Å |
| 481 | H | 60.3 | Low | 58.6 | Low | 34 Ų | 34 | 101.1 Ų | 101.1 | 16% | 0.157 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -60 | -34.9 | 176.4 | 129 | -78.9 | 0 | 0 | 0 | 113.9 | K479 K483 L484 Q485 | K479-H481 VanDerWaalsContact C-N 3.31Å; K479-H481 PolarHBondContact O-N 3.18Å; H481-K483 VanDerWaalsContact C-N 3.33Å; H481-L484 PolarHBondContact O-N 3.3Å; H481-Q485 PolarHBondContact CE1-OE1 3.5Å; H481-Q485 VanDerWaalsContact NE2-CD 3.3Å; H481-Q485 PolarHBondContact NE2-NE2 3.25Å; H481-Q485 VanDerWaalsContact NE2-NE2 3.14Å; H481-Q485 PolarHBondContact NE2-OE1 3.45Å; H481-Q485 PolarHBondContact O-N 3.5Å |
| 482 | K | 64.4 | Low | 59.5 | Low | 74 Ų | 74 | 96.6 Ų | 96.6 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74 | -27 | 179.1 | -70.1 | -176.2 | 174.4 | 164.5 | 0 | 111.7 | D388 K479 S480 R486 | D388-K482 VanDerWaalsContact CG-NZ 3.31Å; D388-K482 VanDerWaalsContact OD1-CE 3.3Å; D388-K482 WeakPolarHBondContact OD1-CE 3.31Å; D388-K482 IonicContact OD1-NZ 3.05Å; D388-K482 PolarHBondContact OD1-NZ 2.81Å; D388-K482 IonicContact OD2-NZ 2.74Å; D388-K482 PolarHBondContact OD2-NZ 3.15Å; K479-K482 HydrophobicContact CB-CB 4.18Å; K479-K482 HydrophobicContact CB-CD 4.15Å; K479-K482 HydrophobicContact CB-CG 4.31Å; K479-K482 HydrophobicContact CD-CD 4.09Å; K479-K482 WeakPolarHBondContact O-CB 3.45Å; K479-K482 PolarHBondContact O-N 3.14Å; S480-K482 VanDerWaalsContact C-N 3.32Å; S480-K482 PolarHBondContact O-N 3.46Å; K482-R486 VanDerWaalsContact O-CG 3.3Å; K482-R486 WeakPolarHBondContact O-CG 3.35Å; K482-R486 PolarHBondContact O-N 3.22Å |
| 483 | K | 59.2 | Low | 60.1 | Low | 116 Ų | 116 | 93.3 Ų | 93.3 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.1 | -45.4 | 171 | -69.5 | -178.3 | 175.6 | 179.5 | 0 | 110.4 | K479 S480 H481 R486 L487 | K479-K483 PolarHBondContact O-N 3.3Å; S480-K483 WeakPolarHBondContact O-CB 3.45Å; S480-K483 PolarHBondContact O-N 3.16Å; S480-K483 VanDerWaalsContact O-N 3.12Å; H481-K483 VanDerWaalsContact C-N 3.33Å; K483-R486 PolarHBondContact O-N 3.39Å; K483-L487 WeakPolarHBondContact O-CG 3.3Å; K483-L487 PolarHBondContact O-N 3.12Å |
| 484 | L | 58.6 | Low | 60 | Low | 120 Ų | 120 | 93.5 Ų | 93.5 | 63% | 0.628 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 177.2 | -75.9 | 157.4 | 0 | 0 | 0 | 112.5 | S480 H481 R486 L487 S488 | S480-L484 PolarHBondContact O-N 3.01Å; S480-L484 VanDerWaalsContact O-N 3.12Å; H481-L484 PolarHBondContact O-N 3.3Å; L484-R486 PolarHBondContact O-N 3.12Å; L484-L487 PolarHBondContact O-N 3.25Å; L484-S488 PolarHBondContact O-N 2.94Å; L484-S488 PolarHBondContact O-OG 3.35Å |
| 485 | Q | 56.4 | Low | 59.6 | Low | 92 Ų | 92 | 94.5 Ų | 94.5 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -41 | 175.2 | -79.6 | 179.7 | -19.7 | 0 | 0 | 113 | H481 L487 S488 E489 | H481-Q485 PolarHBondContact CE1-OE1 3.5Å; H481-Q485 VanDerWaalsContact NE2-CD 3.3Å; H481-Q485 PolarHBondContact NE2-NE2 3.25Å; H481-Q485 VanDerWaalsContact NE2-NE2 3.14Å; H481-Q485 PolarHBondContact NE2-OE1 3.45Å; H481-Q485 PolarHBondContact O-N 3.5Å; Q485-L487 VanDerWaalsContact C-N 3.3Å; Q485-L487 PolarHBondContact O-N 3.3Å; Q485-S488 WeakPolarHBondContact CA-OG 3.45Å; Q485-S488 PolarHBondContact O-N 2.82Å; Q485-S488 PolarHBondContact O-OG 2.91Å; Q485-E489 WeakPolarHBondContact O-CB 3.34Å; Q485-E489 WeakPolarHBondContact O-CG 3.34Å; Q485-E489 PolarHBondContact O-N 2.97Å |
| 486 | R | 56.5 | Low | 58.9 | Low | 184 Ų | 184 | 96.9 Ų | 96.9 | 69% | 0.694 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.5 | -34.6 | 175.5 | -75.5 | 177.2 | -174.6 | -169.3 | -0.7 | 112.6 | K482 K483 L484 S490 | K482-R486 VanDerWaalsContact O-CG 3.3Å; K482-R486 WeakPolarHBondContact O-CG 3.35Å; K482-R486 PolarHBondContact O-N 3.22Å; K483-R486 PolarHBondContact O-N 3.39Å; L484-R486 PolarHBondContact O-N 3.12Å; R486-S490 WeakPolarHBondContact O-CB 3.47Å; R486-S490 PolarHBondContact O-N 3.03Å; R486-S490 PolarHBondContact O-OG 2.94Å |
| 487 | L | 51.3 | Low | 57.8 | Low | 106 Ų | 106 | 99.1 Ų | 99.1 | 56% | 0.555 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -70.2 | -34.1 | 175.4 | -73.7 | 162.1 | 0 | 0 | 0 | 111.9 | K483 L484 Q485 S490 H491 | K483-L487 WeakPolarHBondContact O-CG 3.3Å; K483-L487 PolarHBondContact O-N 3.12Å; L484-L487 PolarHBondContact O-N 3.25Å; Q485-L487 VanDerWaalsContact C-N 3.3Å; Q485-L487 PolarHBondContact O-N 3.3Å; L487-S490 WeakPolarHBondContact CA-OG 3.36Å; L487-S490 PolarHBondContact O-OG 3.27Å; L487-H491 PolarHBondContact O-CD2 3.21Å |
| 488 | S | 51.6 | Low | 56.9 | Low | 77 Ų | 77 | 105 Ų | 105 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -79.1 | -21.9 | 175 | 60.2 | 0 | 0 | 0 | 0 | 114.5 | L484 Q485 | L484-S488 PolarHBondContact O-N 2.94Å; L484-S488 PolarHBondContact O-OG 3.35Å; Q485-S488 WeakPolarHBondContact CA-OG 3.45Å; Q485-S488 PolarHBondContact O-N 2.82Å; Q485-S488 PolarHBondContact O-OG 2.91Å |
| 489 | E | 52.1 | Low | 56.4 | Low | 154 Ų | 154 | 103.4 Ų | 103.4 | 72% | 0.72 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -86.4 | -13.5 | 173.6 | -73.2 | 171.9 | 174.9 | 0 | 0 | 112.5 | Q485 | Q485-E489 WeakPolarHBondContact O-CB 3.34Å; Q485-E489 WeakPolarHBondContact O-CG 3.34Å; Q485-E489 PolarHBondContact O-N 2.97Å |
| 490 | S | 47.8 | Very low | 55.1 | Low | 84 Ų | 84 | 107.7 Ų | 107.7 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | trans | -93.8 | 0.9 | 175.2 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | R486 L487 | R486-S490 WeakPolarHBondContact O-CB 3.47Å; R486-S490 PolarHBondContact O-N 3.03Å; R486-S490 PolarHBondContact O-OG 2.94Å; L487-S490 WeakPolarHBondContact CA-OG 3.36Å; L487-S490 PolarHBondContact O-OG 3.27Å | ||
| 491 | H | 40.3 | Very low | 54.4 | Low | 218 Ų | 218 | 114.5 Ų | 114.5 | 100% | 1.009 | 56% | 0.559 | S | S | * | * | trans | -114.4 | 0 | 168.7 | -76.5 | -53.9 | 0 | 0 | 0 | 108.5 | L487 | L487-H491 PolarHBondContact O-CD2 3.21Š|
Retrieved 491 of 491 residues in 777 ms
(Link to these results)