| 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 | 61.9 | Low | 89.4 | Confident | 210 Ų | 210 | 69.8 Ų | 69.8 | 100% | 1.034 | 39% | 0.393 | S | S | * | . | 0 | 122.7 | 0 | -167.9 | 176.6 | -86.6 | 0 | 0 | 107.8 | Q144 | M1-Q144 PolarHBondContact O-NE2 3.01Š| |||
| 2 | G | 76.4 | Confident | 89.9 | Confident | 49 Ų | 49 | 77 Ų | 77 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | trans | -109.4 | 157 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I132 | G2-I132 CarbonylContact C-O 3.48Å; G2-I132 VanDerWaalsContact CA-O 3.22Å; G2-I132 WeakPolarHBondContact CA-O 3.45Å | ||
| 3 | K | 87.5 | Confident | 90.4 | Very high | 70 Ų | 70 | 72.6 Ų | 72.6 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.4 | 170.1 | -76.2 | -159.4 | 179.8 | -177.1 | 0 | 110.2 | W131 I132 Q144 | K3-W131 WeakPolarHBondContact O-CA 3.22Å; K3-I132 PolarHBondContact N-O 3.42Å; K3-I132 PolarHBondContact O-N 2.9Å; K3-Q144 HydrophobicContact CD-CB 3.96Å; K3-Q144 HydrophobicContact CG-CB 4.06Å; K3-Q144 HydrophobicContact CG-CG 4.06Å |
| 4 | Y | 92.7 | Very high | 90.9 | Very high | 123 Ų | 123 | 70.8 Ų | 70.8 | 48% | 0.482 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 138.5 | 171.2 | 172.9 | -111.7 | 0 | 0 | 0 | 110 | C6 E129 A130 W131 | Y4-C6 HydrophobicContact CE1-CB 4.07Å; Y4-C6 WeakPolarHBondContact OH-CB 3.41Å; Y4-E129 HydrophobicContact CE2-CB 4.05Å; Y4-E129 HydrophobicContact CE2-CG 4.28Å; Y4-E129 PolarHBondContact OH-OE1 3.18Å; Y4-A130 CarbonylContact C-O 3.54Å; Y4-A130 WeakPolarHBondContact CA-O 3.38Å; Y4-W131 AromaticContact CD2-CD1 3.9Å; Y4-W131 HydrophobicContact CD2-CD2 4.36Å; Y4-W131 AromaticContact CD2-CE2 3.73Å; Y4-W131 HydrophobicContact CD2-CG 4.44Å; Y4-W131 HydrophobicContact CD2-CZ2 4.15Å; Y4-W131 AromaticContact CD2-NE1 3.43Å; Y4-W131 AromaticContact CE2-CE2 3.88Å; Y4-W131 AromaticContact CE2-CZ2 3.8Å; Y4-W131 HydrophobicContact CE2-CZ2 3.8Å; Y4-W131 AromaticContact CE2-NE1 3.95Å |
| 5 | V | 92.8 | Very high | 91.3 | Very high | 28 Ų | 28 | 66.8 Ų | 66.8 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 137.1 | 176.5 | -169 | 0 | 0 | 0 | 0 | 108.2 | E129 A130 L148 F151 | V5-E129 CarbonylContact O-C 3.46Å; V5-E129 WeakPolarHBondContact O-CA 3.36Å; V5-A130 PolarHBondContact N-O 2.94Å; V5-A130 PolarHBondContact O-N 2.82Å; V5-L148 HydrophobicContact CG1-CD1 4.23Å; V5-L148 HydrophobicContact CG2-CD1 3.47Å; V5-L148 VanDerWaalsContact CG2-CD1 3.47Å; V5-F151 HydrophobicContact CB-CD1 4.3Å; V5-F151 HydrophobicContact CB-CE1 4.01Å; V5-F151 HydrophobicContact CG1-CD1 3.96Å; V5-F151 HydrophobicContact CG1-CE1 3.56Å |
| 6 | C | 94.3 | Very high | 91.7 | Very high | 69 Ų | 69 | 67.2 Ų | 67.2 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.7 | 172.5 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | Y4 R128 | Y4-C6 HydrophobicContact CE1-CB 4.07Å; Y4-C6 WeakPolarHBondContact OH-CB 3.41Å; C6-R128 CarbonylContact C-O 3.55Å; C6-R128 VanDerWaalsContact CA-O 3.3Å; C6-R128 WeakPolarHBondContact CA-O 3.44Å |
| 7 | C | 94.8 | Very high | 91.9 | Very high | 38 Ų | 38 | 67 Ų | 67 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 148.8 | 171.9 | 61 | 0 | 0 | 0 | 0 | 110.6 | R128 | C7-R128 PolarHBondContact N-O 2.79Å; C7-R128 PolarHBondContact O-N 2.8Å |
| 8 | T | 95.3 | Very high | 92.3 | Very high | 92 Ų | 92 | 63.3 Ų | 63.3 | 56% | 0.564 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.8 | 173.5 | -54.1 | 0 | 0 | 0 | 0 | 109.4 | E125 I126 | T8-E125 HydrophobicContact CG2-CG 3.6Å; T8-I126 CarbonylContact C-O 3.57Å; T8-I126 WeakPolarHBondContact CA-O 3.37Å |
| 9 | G | 94.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 160.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I126 | G9-I126 PolarHBondContact N-O 3.33Å; G9-I126 PolarHBondContact O-N 3.25Å |
| 10 | L | 96.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 130.2 | -179.9 | -173.2 | 70 | 0 | 0 | 0 | 109.4 | N117 W123 M159 | L10-N117 HydrophobicContact CD1-CB 4.4Å; L10-W123 HydrophobicContact CD1-CB 4.13Å; L10-W123 HydrophobicContact CD1-CE3 4.16Å; L10-W123 HydrophobicContact CD2-CD2 4.49Å; L10-W123 HydrophobicContact CD2-CE3 3.6Å; L10-W123 HydrophobicContact CD2-CZ3 3.77Å; L10-W123 HydrophobicContact CG-CE3 4.2Å; L10-M159 WeakPolarHBondContact O-CE 3.46Å |
| 11 | L | 96.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.8 | 170.6 | -70.2 | 173.9 | 0 | 0 | 0 | 108.9 | N13 V18 W123 T124 I126 M159 F162 E163 L166 | L11-N13 PolarHBondContact O-N 3.4Å; L11-V18 HydrophobicContact CB-CG2 4.08Å; L11-V18 HydrophobicContact CD1-CB 4.43Å; L11-V18 HydrophobicContact CD1-CG1 3.78Å; L11-V18 HydrophobicContact CD1-CG2 3.73Å; L11-W123 WeakPolarHBondContact O-CA 3.43Å; L11-T124 PolarHBondContact N-O 2.94Å; L11-T124 PolarHBondContact O-N 3.46Å; L11-I126 HydrophobicContact CD1-CD1 3.66Å; L11-I126 HydrophobicContact CG-CD1 3.98Å; L11-M159 HydrophobicContact CD2-CE 3.68Å; L11-M159 HydrophobicContact CG-CE 3.92Å; L11-F162 HydrophobicContact CD1-CB 3.89Å; L11-F162 HydrophobicContact CD1-CD1 4.07Å; L11-F162 HydrophobicContact CD1-CD2 4.39Å; L11-F162 HydrophobicContact CD1-CG 3.9Å; L11-F162 HydrophobicContact CD2-CB 3.99Å; L11-E163 HydrophobicContact CD2-CG 4.2Å; L11-L166 HydrophobicContact CD1-CD1 4.07Å; L11-L166 HydrophobicContact CD2-CD1 4.29Å |
| 12 | K | 95.7 | Very high | 94.6 | Very high | 156 Ų | 156 | 48.8 Ų | 48.8 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -81.6 | 45.4 | -178.6 | -62.5 | -176.1 | -179.6 | 179.7 | 0 | 112 | W123 | K12-W123 HydrophobicContact CD-CZ2 4.36Å; K12-W123 HydrophobicContact CG-CD2 4.41Å; K12-W123 HydrophobicContact CG-CZ2 4.27Å |
| 13 | N | 96.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -140.5 | 152.9 | -175.1 | -65.6 | 86.9 | 0 | 0 | 0 | 109.3 | L11 Q17 V18 S122 W123 T124 L166 Q170 | L11-N13 PolarHBondContact O-N 3.4Å; N13-Q17 HydrophobicContact CB-CB 4.34Å; N13-Q17 PolarHBondContact ND2-OE1 3.34Å; N13-Q17 VanDerWaalsContact ND2-OE1 3.11Å; N13-V18 HydrophobicContact CB-CG2 3.96Å; N13-S122 CarbonylContact C-O 3.57Å; N13-W123 CarbonylContact O-C 3.57Å; N13-W123 WeakPolarHBondContact O-CA 3.36Å; N13-T124 PolarHBondContact O-N 3.47Å; N13-T124 VanDerWaalsContact O-N 3.12Å; N13-T124 PolarHBondContact O-OG1 2.8Å; N13-L166 HydrophobicContact CB-CD1 4.14Å; N13-L166 HydrophobicContact CB-CD2 4.13Å; N13-Q170 PolarHBondContact ND2-NE2 3.39Å |
| 14 | T | 96.9 | Very high | 95.8 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.288 | 26% | 0.264 | S | S | . | . | trans | -65.4 | 154.4 | 179 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | D16 Q17 V18 S122 T124 | T14-D16 PolarHBondContact O-N 3.1Å; T14-Q17 WeakPolarHBondContact O-CB 3.15Å; T14-Q17 PolarHBondContact O-N 3.32Å; T14-Q17 VanDerWaalsContact O-N 3.12Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.5Å; T14-Q17 PolarHBondContact OG1-N 3.4Å; T14-V18 WeakPolarHBondContact O-CG2 3.33Å; T14-V18 PolarHBondContact O-N 3.2Å; T14-S122 PolarHBondContact N-O 2.89Å; T14-T124 VanDerWaalsContact C-OG1 3.28Å; T14-T124 PolarHBondContact O-OG1 3.2Å | ||
| 15 | W | 97.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.6 | -38.3 | 179.7 | 174.8 | 86 | 0 | 0 | 0 | 112.3 | Q17 V18 C19 V86 R91 Y114 M116 T124 | W15-Q17 PolarHBondContact O-N 3.25Å; W15-V18 PolarHBondContact O-N 3.47Å; W15-C19 WeakPolarHBondContact CZ2-SG 3.28Å; W15-C19 PolarHBondContact NE1-SG 3Å; W15-C19 VanDerWaalsContact NE1-SG 3.38Å; W15-C19 WeakPolarHBondContact O-CB 3.27Å; W15-C19 PolarHBondContact O-N 3.36Å; W15-C19 PolarHBondContact O-SG 3.34Å; W15-V86 HydrophobicContact CH2-CG1 3.84Å; W15-V86 HydrophobicContact CZ2-CG1 3.88Å; W15-R91 VanDerWaalsContact CD1-O 3.27Å; W15-R91 HydrophobicContact CD2-CB 3.78Å; W15-R91 HydrophobicContact CD2-CG 4.46Å; W15-R91 HydrophobicContact CE3-CB 3.79Å; W15-R91 HydrophobicContact CE3-CG 3.96Å; W15-R91 HydrophobicContact CG-CB 4.23Å; W15-R91 VanDerWaalsContact CZ2-C 3.46Å; W15-R91 HydrophobicContact CZ3-CB 4.2Å; W15-R91 HydrophobicContact CZ3-CG 4.14Å; W15-R91 VanDerWaalsContact NE1-C 3.34Å; W15-R91 PolarHBondContact NE1-O 3Å; W15-R91 VanDerWaalsContact NE1-O 3.07Å; W15-Y114 PolarHBondContact NE1-O 3.1Å; W15-M116 HydrophobicContact CB-CG 3.8Å; W15-M116 HydrophobicContact CG-CG 4.46Å; W15-T124 VanDerWaalsContact CA-OG1 3.23Å; W15-T124 WeakPolarHBondContact CA-OG1 3.47Å; W15-T124 PolarHBondContact N-OG1 3.39Å; W15-T124 VanDerWaalsContact N-OG1 3.15Å |
| 16 | D | 96.5 | Very high | 95.9 | Very high | 73 Ų | 73 | 46.9 Ų | 46.9 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.9 | -54.7 | -66.8 | 0 | 0 | 0 | 111.6 | T14 V18 C19 I20 | T14-D16 PolarHBondContact O-N 3.1Å; D16-V18 PolarHBondContact O-N 3.1Å; D16-C19 PolarHBondContact O-N 2.93Å; D16-I20 WeakPolarHBondContact O-CG1 3.49Å; D16-I20 PolarHBondContact O-N 2.73Å |
| 17 | Q | 96.4 | Very high | 95.9 | Very high | 64 Ų | 64 | 49.1 Ų | 49.1 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 176.6 | -73 | 177.6 | -12.7 | 0 | 0 | 111.2 | N13 T14 W15 I20 A21 L166 | N13-Q17 HydrophobicContact CB-CB 4.34Å; N13-Q17 PolarHBondContact ND2-OE1 3.34Å; N13-Q17 VanDerWaalsContact ND2-OE1 3.11Å; T14-Q17 WeakPolarHBondContact O-CB 3.15Å; T14-Q17 PolarHBondContact O-N 3.32Å; T14-Q17 VanDerWaalsContact O-N 3.12Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.5Å; T14-Q17 PolarHBondContact OG1-N 3.4Å; W15-Q17 PolarHBondContact O-N 3.25Å; Q17-I20 PolarHBondContact O-N 3.11Å; Q17-A21 VanDerWaalsContact O-CB 3.28Å; Q17-A21 WeakPolarHBondContact O-CB 3.35Å; Q17-A21 PolarHBondContact O-N 3.39Å; Q17-L166 HydrophobicContact CB-CD2 3.9Å |
| 18 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 178.9 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | L11 N13 T14 W15 D16 A21 F22 Y114 T124 F162 L166 | L11-V18 HydrophobicContact CB-CG2 4.08Å; L11-V18 HydrophobicContact CD1-CB 4.43Å; L11-V18 HydrophobicContact CD1-CG1 3.78Å; L11-V18 HydrophobicContact CD1-CG2 3.73Å; N13-V18 HydrophobicContact CB-CG2 3.96Å; T14-V18 WeakPolarHBondContact O-CG2 3.33Å; T14-V18 PolarHBondContact O-N 3.2Å; W15-V18 PolarHBondContact O-N 3.47Å; D16-V18 PolarHBondContact O-N 3.1Å; V18-A21 PolarHBondContact O-N 3.28Å; V18-F22 WeakPolarHBondContact O-CB 3.39Å; V18-F22 PolarHBondContact O-N 3.02Å; V18-Y114 HydrophobicContact CG1-CD1 3.98Å; V18-T124 HydrophobicContact CB-CG2 4.18Å; V18-T124 HydrophobicContact CG1-CG2 4.09Å; V18-T124 HydrophobicContact CG2-CG2 4.18Å; V18-T124 WeakPolarHBondContact CG2-OG1 3.1Å; V18-F162 HydrophobicContact CG1-CD1 4.47Å; V18-F162 HydrophobicContact CG1-CE1 4.01Å; V18-F162 HydrophobicContact CG1-CZ 4.49Å; V18-L166 HydrophobicContact CG2-CD1 4.21Å; V18-L166 HydrophobicContact CG2-CD2 4.5Å |
| 19 | C | 97.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.9 | -75.5 | 0 | 0 | 0 | 0 | 112.2 | W15 D16 F22 | W15-C19 WeakPolarHBondContact CZ2-SG 3.28Å; W15-C19 PolarHBondContact NE1-SG 3Å; W15-C19 VanDerWaalsContact NE1-SG 3.38Å; W15-C19 WeakPolarHBondContact O-CB 3.27Å; W15-C19 PolarHBondContact O-N 3.36Å; W15-C19 PolarHBondContact O-SG 3.34Å; D16-C19 PolarHBondContact O-N 2.93Å; C19-F22 WeakPolarHBondContact O-CB 3.33Å; C19-F22 PolarHBondContact O-N 2.95Å |
| 20 | I | 96.6 | Very high | 95.5 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 44% | 0.441 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65 | -46.1 | 174.8 | -64.2 | 164.2 | 0 | 0 | 0 | 110.1 | D16 Q17 F22 W23 Q24 M169 | D16-I20 WeakPolarHBondContact O-CG1 3.49Å; D16-I20 PolarHBondContact O-N 2.73Å; Q17-I20 PolarHBondContact O-N 3.11Å; I20-F22 PolarHBondContact O-N 3.25Å; I20-W23 PolarHBondContact O-N 3.39Å; I20-W23 VanDerWaalsContact O-N 3.11Å; I20-Q24 PolarHBondContact O-N 3.03Å; I20-M169 HydrophobicContact CB-CE 3.81Å; I20-M169 HydrophobicContact CG2-CE 3.37Å; I20-M169 HydrophobicContact CG2-SD 4.31Å |
| 21 | A | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -33.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q17 V18 W23 Q24 R25 F162 V165 L166 M169 | Q17-A21 VanDerWaalsContact O-CB 3.28Å; Q17-A21 WeakPolarHBondContact O-CB 3.35Å; Q17-A21 PolarHBondContact O-N 3.39Å; V18-A21 PolarHBondContact O-N 3.28Å; A21-W23 VanDerWaalsContact C-N 3.28Å; A21-W23 PolarHBondContact O-N 3.44Å; A21-Q24 CarbonylContact O-C 3.54Å; A21-Q24 PolarHBondContact O-N 3.41Å; A21-R25 WeakPolarHBondContact O-CA 3.35Å; A21-R25 WeakPolarHBondContact O-CB 3.4Å; A21-R25 PolarHBondContact O-N 2.99Å; A21-F162 HydrophobicContact CB-CD1 4.11Å; A21-F162 HydrophobicContact CB-CE1 4.28Å; A21-V165 HydrophobicContact CB-CG1 3.99Å; A21-L166 HydrophobicContact CB-CD2 3.64Å; A21-L166 HydrophobicContact CB-CG 3.86Å; A21-M169 HydrophobicContact CB-SD 3.79Å |
| 22 | F | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 177.3 | 172.6 | -95.3 | 0 | 0 | 0 | 113.3 | V18 C19 I20 Q24 R25 E82 M93 T95 F162 | V18-F22 WeakPolarHBondContact O-CB 3.39Å; V18-F22 PolarHBondContact O-N 3.02Å; C19-F22 WeakPolarHBondContact O-CB 3.33Å; C19-F22 PolarHBondContact O-N 2.95Å; I20-F22 PolarHBondContact O-N 3.25Å; F22-Q24 VanDerWaalsContact C-N 3.32Å; F22-R25 WeakPolarHBondContact O-CD 3.38Å; F22-R25 WeakPolarHBondContact O-CG 3.28Å; F22-E82 VanDerWaalsContact CZ-OE1 3.3Å; F22-E82 WeakPolarHBondContact CZ-OE1 3.48Å; F22-M93 HydrophobicContact CB-CE 3.66Å; F22-M93 HydrophobicContact CB-SD 4.21Å; F22-M93 HydrophobicContact CD1-CE 4Å; F22-M93 HydrophobicContact CD1-SD 3.61Å; F22-M93 HydrophobicContact CD2-CE 3.78Å; F22-M93 HydrophobicContact CD2-SD 4.4Å; F22-M93 HydrophobicContact CE1-SD 3.96Å; F22-M93 HydrophobicContact CE2-CE 4.36Å; F22-M93 HydrophobicContact CG-CE 3.56Å; F22-M93 HydrophobicContact CG-SD 3.84Å; F22-M93 HydrophobicContact CZ-SD 4.49Å; F22-T95 HydrophobicContact CE1-CG2 4.22Å; F22-T95 HydrophobicContact CE2-CG2 3.63Å; F22-T95 HydrophobicContact CZ-CG2 3.36Å; F22-F162 HydrophobicContact CB-CE1 3.94Å; F22-F162 HydrophobicContact CB-CZ 3.97Å; F22-F162 AromaticContact CD2-CZ 3.92Å; F22-F162 HydrophobicContact CD2-CZ 3.92Å; F22-F162 HydrophobicContact CG-CZ 4.46Å |
| 23 | W | 95.9 | Very high | 94.7 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -79.3 | -16.7 | 176.2 | -61.7 | 112.1 | 0 | 0 | 0 | 113.2 | I20 A21 L50 R54 S84 V86 | I20-W23 PolarHBondContact O-N 3.39Å; I20-W23 VanDerWaalsContact O-N 3.11Å; A21-W23 VanDerWaalsContact C-N 3.28Å; A21-W23 PolarHBondContact O-N 3.44Å; W23-L50 HydrophobicContact CZ2-CD2 4.07Å; W23-R54 HydrophobicContact CZ3-CG 4.41Å; W23-S84 WeakPolarHBondContact CH2-OG 3.31Å; W23-V86 HydrophobicContact CZ2-CG2 4.15Å |
| 24 | Q | 93.5 | Very high | 94.6 | Very high | 109 Ų | 109 | 44.7 Ų | 44.7 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -113 | 10.4 | 179.2 | -60.1 | -175.8 | 0.7 | 0 | 0 | 112.7 | I20 A21 F22 Y26 V165 | I20-Q24 PolarHBondContact O-N 3.03Å; A21-Q24 CarbonylContact O-C 3.54Å; A21-Q24 PolarHBondContact O-N 3.41Å; F22-Q24 VanDerWaalsContact C-N 3.32Å; Q24-Y26 PolarHBondContact O-N 3.02Å; Q24-Y26 VanDerWaalsContact O-N 3.12Å; Q24-V165 HydrophobicContact CB-CG1 4.24Å |
| 25 | R | 93.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 6% | 0.06 | 24% | 0.24 | C | C | . | . | trans | -64.9 | -22.1 | -171.5 | 71.9 | -173.1 | 175.8 | -176.8 | -2.1 | 112.1 | A21 F22 N28 E82 | A21-R25 WeakPolarHBondContact O-CA 3.35Å; A21-R25 WeakPolarHBondContact O-CB 3.4Å; A21-R25 PolarHBondContact O-N 2.99Å; F22-R25 WeakPolarHBondContact O-CD 3.38Å; F22-R25 WeakPolarHBondContact O-CG 3.28Å; R25-N28 PolarHBondContact O-ND2 3.49Å; R25-E82 IonicContact CZ-OE2 2.68Å; R25-E82 VanDerWaalsContact CZ-OE2 3.29Å; R25-E82 IonicContact NH1-OE2 3.88Å; R25-E82 PolarHBondContact NH1-OE2 3.18Å; R25-E82 VanDerWaalsContact NH1-OE2 3.07Å; R25-E82 IonicContact NH2-OE1 2.75Å; R25-E82 PolarHBondContact NH2-OE1 2.99Å; R25-E82 IonicContact NH2-OE2 3.73Å; R25-E82 PolarHBondContact NH2-OE2 3.46Å | ||
| 26 | Y | 94 | Very high | 94.3 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | trans | -115.2 | 145.5 | 175.3 | -55.9 | -54.3 | 0 | 0 | 0 | 111.2 | Q24 S31 V34 L56 | Q24-Y26 PolarHBondContact O-N 3.02Å; Q24-Y26 VanDerWaalsContact O-N 3.12Å; Y26-S31 VanDerWaalsContact CE1-CB 3.42Å; Y26-V34 HydrophobicContact CD1-CB 4.36Å; Y26-V34 HydrophobicContact CD1-CG1 4.49Å; Y26-V34 HydrophobicContact CD1-CG2 4.25Å; Y26-V34 HydrophobicContact CD2-CG1 4.18Å; Y26-V34 HydrophobicContact CE1-CB 4.38Å; Y26-V34 HydrophobicContact CE1-CG2 3.77Å; Y26-V34 HydrophobicContact CE2-CG1 4.28Å; Y26-V34 HydrophobicContact CE2-CG2 4.46Å; Y26-V34 HydrophobicContact CG-CG1 4.28Å; Y26-L56 HydrophobicContact CD2-CD2 4.33Å; Y26-L56 HydrophobicContact CE2-CD2 3.63Å | ||
| 27 | P | 93.8 | Very high | 94.3 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 75% | 0.753 | 25% | 0.25 | S | C | * | . | S | Bend | cis | -75.7 | 150.7 | -6.9 | 31.8 | -34.8 | 0 | 0 | 0 | 112.7 | ||
| 28 | N | 92.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | trans | -143.3 | 156 | 169.7 | 73.1 | 70 | 0 | 0 | 0 | 111.4 | R25 Y30 S31 Y164 V165 | R25-N28 PolarHBondContact O-ND2 3.49Å; N28-Y30 PolarHBondContact O-N 3.01Å; N28-Y30 VanDerWaalsContact O-N 3.13Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.38Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.32Å; N28-Y30 PolarHBondContact OD1-N 2.87Å; N28-S31 WeakPolarHBondContact ND2-CB 3.48Å; N28-S31 PolarHBondContact ND2-OG 3.12Å; N28-S31 PolarHBondContact O-N 3.26Å; N28-S31 WeakPolarHBondContact OD1-CB 3.48Å; N28-S31 PolarHBondContact OD1-N 3.35Å; N28-S31 PolarHBondContact OD1-OG 3.47Å; N28-Y164 HydrophobicContact CB-CD1 3.84Å; N28-Y164 HydrophobicContact CB-CE1 4.24Å; N28-V165 HydrophobicContact CB-CG2 4.49Å | ||
| 29 | P | 91.7 | Very high | 94.4 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 29% | 0.286 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -58.7 | -27.6 | -176.5 | -25.8 | 34.7 | 0 | 0 | 0 | 114.9 | S31 N32 Y164 | P29-S31 VanDerWaalsContact C-N 3.29Å; P29-S31 PolarHBondContact O-N 3.5Å; P29-N32 PolarHBondContact O-ND2 3.35Å; P29-Y164 HydrophobicContact CG-CD2 4.2Å; P29-Y164 HydrophobicContact CG-CE1 4.35Å; P29-Y164 HydrophobicContact CG-CE2 3.85Å |
| 30 | Y | 92.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 26% | 0.263 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -82.5 | -10 | -179 | -55.3 | -75.7 | 0 | 0 | 0 | 112.9 | N28 K157 K160 E180 | N28-Y30 PolarHBondContact O-N 3.01Å; N28-Y30 VanDerWaalsContact O-N 3.13Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.38Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.32Å; N28-Y30 PolarHBondContact OD1-N 2.87Å; Y30-K157 WeakPolarHBondContact O-CD 3.37Å; Y30-K160 HydrophobicContact CD1-CB 3.81Å; Y30-K160 HydrophobicContact CD1-CD 3.81Å; Y30-K160 HydrophobicContact CD1-CG 4.47Å; Y30-K160 HydrophobicContact CD2-CB 3.69Å; Y30-K160 HydrophobicContact CE1-CB 3.92Å; Y30-K160 HydrophobicContact CE1-CD 3.59Å; Y30-K160 HydrophobicContact CE1-CG 4.34Å; Y30-K160 HydrophobicContact CE2-CB 3.81Å; Y30-K160 HydrophobicContact CG-CB 3.68Å; Y30-E180 PolarHBondContact OH-OE1 2.88Å |
| 31 | S | 92.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 58 Ų | 58 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -124.8 | 28.8 | -170.2 | -54.3 | 0 | 0 | 0 | 0 | 114.1 | Y26 N28 P29 H33 V34 | Y26-S31 VanDerWaalsContact CE1-CB 3.42Å; N28-S31 WeakPolarHBondContact ND2-CB 3.48Å; N28-S31 PolarHBondContact ND2-OG 3.12Å; N28-S31 PolarHBondContact O-N 3.26Å; N28-S31 WeakPolarHBondContact OD1-CB 3.48Å; N28-S31 PolarHBondContact OD1-N 3.35Å; N28-S31 PolarHBondContact OD1-OG 3.47Å; P29-S31 VanDerWaalsContact C-N 3.29Å; P29-S31 PolarHBondContact O-N 3.5Å; S31-H33 PolarHBondContact O-N 3.49Å; S31-V34 PolarHBondContact O-N 3.24Å |
| 32 | N | 90.1 | Very high | 94.6 | Very high | 108 Ų | 108 | 63.2 Ų | 63.2 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -13 | 176.1 | -63.5 | -37.7 | 0 | 0 | 0 | 115.7 | P29 | P29-N32 PolarHBondContact O-ND2 3.35Š|
| 33 | H | 89.2 | Confident | 94.6 | Very high | 43 Ų | 43 | 67.5 Ų | 67.5 | 20% | 0.199 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.1 | 177.7 | 64 | -75.9 | 0 | 0 | 0 | 112.5 | S31 K58 T59 | S31-H33 PolarHBondContact O-N 3.49Å; H33-K58 CarbonylContact O-C 3.49Å; H33-K58 WeakPolarHBondContact O-CA 3.42Å; H33-K58 WeakPolarHBondContact O-CB 3.43Å; H33-T59 WeakPolarHBondContact CA-OG1 3.35Å; H33-T59 WeakPolarHBondContact CB-OG1 3.5Å; H33-T59 PolarHBondContact O-N 3.42Å; H33-T59 PolarHBondContact O-OG1 2.64Å |
| 34 | V | 93.9 | Very high | 94.7 | Very high | 23 Ų | 23 | 68.8 Ų | 68.8 | 14% | 0.139 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120 | 171.6 | -174.9 | 0 | 0 | 0 | 0 | 107.6 | Y26 S31 L56 K58 | Y26-V34 HydrophobicContact CD1-CB 4.36Å; Y26-V34 HydrophobicContact CD1-CG1 4.49Å; Y26-V34 HydrophobicContact CD1-CG2 4.25Å; Y26-V34 HydrophobicContact CD2-CG1 4.18Å; Y26-V34 HydrophobicContact CE1-CB 4.38Å; Y26-V34 HydrophobicContact CE1-CG2 3.77Å; Y26-V34 HydrophobicContact CE2-CG1 4.28Å; Y26-V34 HydrophobicContact CE2-CG2 4.46Å; Y26-V34 HydrophobicContact CG-CG1 4.28Å; S31-V34 PolarHBondContact O-N 3.24Å; V34-L56 HydrophobicContact CG1-CD2 4.43Å; V34-K58 HydrophobicContact CG2-CD 4.14Å; V34-K58 HydrophobicContact CG2-CG 4.17Å |
| 35 | L | 93.3 | Very high | 94.9 | Very high | 99 Ų | 99 | 64.7 Ų | 64.7 | 52% | 0.518 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -45 | -174.2 | -61.2 | -179.8 | 0 | 0 | 0 | 111.7 | T57 T59 | L35-T57 HydrophobicContact CD1-CG2 4.34Å; L35-T57 PolarHBondContact N-O 2.78Å; L35-T59 HydrophobicContact CD1-CG2 3.82Å; L35-T59 HydrophobicContact CD2-CG2 3.76Å; L35-T59 HydrophobicContact CG-CG2 3.91Å |
| 36 | T | 95.1 | Very high | 95.1 | Very high | 59 Ų | 59 | 71 Ų | 71 | 36% | 0.362 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.4 | -179.9 | 76.4 | 0 | 0 | 0 | 0 | 110.3 | D38 L56 T57 | T36-D38 PolarHBondContact OG1-OD2 3.43Å; T36-L56 WeakPolarHBondContact O-CA 3.34Å; T36-T57 PolarHBondContact N-O 3.48Å; T36-T57 PolarHBondContact O-N 3.46Å; T36-T57 VanDerWaalsContact OG1-CB 3.24Å; T36-T57 WeakPolarHBondContact OG1-CB 3.26Å; T36-T57 PolarHBondContact OG1-OG1 2.91Å |
| 37 | E | 96.6 | Very high | 95.1 | Very high | 56 Ų | 56 | 72.7 Ų | 72.7 | 26% | 0.262 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 118.5 | 173.4 | 173.6 | 175.4 | -129.3 | 0 | 0 | 108.1 | R54 | E37-R54 IonicContact OE1-CZ 3.93Å; E37-R54 IonicContact OE1-NE 3.91Å; E37-R54 PolarHBondContact OE1-NE 3.33Å; E37-R54 IonicContact OE1-NH1 3.73Å; E37-R54 PolarHBondContact OE1-NH1 3.06Å; E37-R54 IonicContact OE1-NH2 3.46Å |
| 38 | D | 97.4 | Very high | 95.3 | Very high | 82 Ų | 82 | 71.3 Ų | 71.3 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.2 | -174.1 | -62.2 | -81.6 | 0 | 0 | 0 | 109.5 | T36 R54 L55 | T36-D38 PolarHBondContact OG1-OD2 3.43Å; D38-R54 CarbonylContact O-C 3.58Å; D38-R54 WeakPolarHBondContact O-CA 3.39Å; D38-L55 PolarHBondContact N-O 3.16Å; D38-L55 PolarHBondContact O-N 3.4Å |
| 39 | I | 97.9 | Very high | 95.5 | Very high | 89 Ų | 89 | 71.5 Ų | 71.5 | 46% | 0.456 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 114.1 | 173.1 | -63.2 | 150.1 | 0 | 0 | 0 | 107.5 | R42 R54 | I39-R42 HydrophobicContact CG2-CB 4.04Å; I39-R54 HydrophobicContact CG1-CG 4.04Å |
| 40 | I | 97.6 | Very high | 95.8 | Very high | 93 Ų | 93 | 71.6 Ų | 71.6 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -19.9 | -178.1 | 59.3 | 163.6 | 0 | 0 | 0 | 112.5 | R53 L55 I81 | I40-R53 HydrophobicContact CD1-CB 4.3Å; I40-R53 HydrophobicContact CD1-CG 3.46Å; I40-R53 VanDerWaalsContact CD1-CG 3.46Å; I40-R53 HydrophobicContact CG1-CB 3.87Å; I40-R53 HydrophobicContact CG1-CG 3.51Å; I40-R53 VanDerWaalsContact CG1-O 3.29Å; I40-R53 WeakPolarHBondContact CG1-O 3.19Å; I40-R53 PolarHBondContact N-O 3.31Å; I40-L55 HydrophobicContact CG2-CB 3.91Å; I40-I81 HydrophobicContact CD1-CD1 4.15Å |
| 41 | F | 98.3 | Very high | 96.1 | Very high | 93 Ų | 93 | 70.8 Ų | 70.8 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 142.5 | 174.7 | 177 | -100.4 | 0 | 0 | 0 | 110.2 | E43 I51 S52 R53 | F41-E43 HydrophobicContact CE1-CB 4.23Å; F41-E43 HydrophobicContact CE1-CG 3.66Å; F41-E43 HydrophobicContact CZ-CB 3.95Å; F41-E43 HydrophobicContact CZ-CG 3.64Å; F41-E43 WeakPolarHBondContact CZ-OE2 3.43Å; F41-I51 HydrophobicContact CD1-CG2 4.45Å; F41-I51 HydrophobicContact CE1-CG2 4.08Å; F41-S52 CarbonylContact O-C 3.39Å; F41-S52 VanDerWaalsContact O-CA 3.28Å; F41-S52 WeakPolarHBondContact O-CA 3.43Å; F41-R53 HydrophobicContact CB-CB 4.03Å; F41-R53 PolarHBondContact N-O 3.33Å; F41-R53 PolarHBondContact O-N 3.44Å |
| 42 | R | 98.4 | Very high | 96.4 | Very high | 109 Ų | 109 | 70.5 Ų | 70.5 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 131.8 | 172.4 | 178.7 | 166.9 | -71.7 | 159.4 | 0.2 | 110.4 | I39 L50 I51 S52 | I39-R42 HydrophobicContact CG2-CB 4.04Å; R42-L50 HydrophobicContact CG-CD1 3.71Å; R42-I51 WeakPolarHBondContact CA-O 3.37Å; R42-S52 WeakPolarHBondContact CG-OG 3.49Å; R42-S52 PolarHBondContact NE-OG 2.85Å |
| 43 | E | 98.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 70 Ų | 70 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 156.4 | 174.3 | 71.6 | -179.7 | 172.2 | 0 | 0 | 110.9 | F41 I51 | F41-E43 HydrophobicContact CE1-CB 4.23Å; F41-E43 HydrophobicContact CE1-CG 3.66Å; F41-E43 HydrophobicContact CZ-CB 3.95Å; F41-E43 HydrophobicContact CZ-CG 3.64Å; F41-E43 WeakPolarHBondContact CZ-OE2 3.43Å; E43-I51 HydrophobicContact CG-CB 4.03Å; E43-I51 PolarHBondContact N-O 3.09Å; E43-I51 PolarHBondContact O-N 2.98Å |
| 44 | V | 98.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 68.1 Ų | 68.1 | 56% | 0.564 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.6 | 165.5 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | C49 L50 | V44-C49 CarbonylContact C-O 3.41Å; V44-C49 WeakPolarHBondContact CA-O 3.46Å; V44-L50 HydrophobicContact CG2-CD1 3.95Å |
| 45 | T | 97.3 | Very high | 97.4 | Very high | 23 Ų | 23 | 69.2 Ų | 69.2 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | trans | -74.1 | 161.9 | -179.6 | 65.2 | 0 | 0 | 0 | 0 | 111.4 | S47 N48 C49 I51 | T45-S47 PolarHBondContact O-N 2.93Å; T45-S47 VanDerWaalsContact O-N 3.12Å; T45-S47 PolarHBondContact OG1-N 3.18Å; T45-S47 PolarHBondContact OG1-OG 2.83Å; T45-N48 WeakPolarHBondContact O-CA 3.37Å; T45-N48 PolarHBondContact O-N 3.4Å; T45-C49 PolarHBondContact N-O 3.42Å; T45-C49 WeakPolarHBondContact OG1-CB 3.47Å; T45-C49 PolarHBondContact OG1-N 2.95Å; T45-C49 PolarHBondContact OG1-O 2.91Å; T45-I51 HydrophobicContact CG2-CD1 3.3Å; T45-I51 HydrophobicContact CG2-CG1 3.72Å | ||
| 46 | P | 97.3 | Very high | 97.6 | Very high | 148 Ų | 148 | 64.6 Ų | 64.6 | 96% | 0.961 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.8 | 170.7 | -26.4 | 35.6 | 0 | 0 | 0 | 113.9 | N48 | P46-N48 PolarHBondContact O-N 3.11Š|
| 47 | S | 95.7 | Very high | 97.5 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 52% | 0.517 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 10.7 | 174.1 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | T45 C49 | T45-S47 PolarHBondContact O-N 2.93Å; T45-S47 VanDerWaalsContact O-N 3.12Å; T45-S47 PolarHBondContact OG1-N 3.18Å; T45-S47 PolarHBondContact OG1-OG 2.83Å; S47-C49 VanDerWaalsContact C-N 3.31Å; S47-C49 PolarHBondContact O-N 2.8Å; S47-C49 PolarHBondContact OG-SG 2.95Å |
| 48 | N | 96.7 | Very high | 97.3 | Very high | 88 Ų | 88 | 61.8 Ų | 61.8 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 60.7 | 33.8 | -178.3 | -160.7 | 48.3 | 0 | 0 | 0 | 114.3 | T45 P46 P88 | T45-N48 WeakPolarHBondContact O-CA 3.37Å; T45-N48 PolarHBondContact O-N 3.4Å; P46-N48 PolarHBondContact O-N 3.11Å; N48-P88 WeakPolarHBondContact O-CD 3.37Å; N48-P88 WeakPolarHBondContact O-CG 3.47Å |
| 49 | C | 97.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 8% | 0.081 | 32% | 0.317 | C | S | . | . | trans | -101.9 | 138.8 | 172.4 | -58.4 | 0 | 0 | 0 | 0 | 110.1 | V44 T45 S47 V85 V86 | V44-C49 CarbonylContact C-O 3.41Å; V44-C49 WeakPolarHBondContact CA-O 3.46Å; T45-C49 PolarHBondContact N-O 3.42Å; T45-C49 WeakPolarHBondContact OG1-CB 3.47Å; T45-C49 PolarHBondContact OG1-N 2.95Å; T45-C49 PolarHBondContact OG1-O 2.91Å; S47-C49 VanDerWaalsContact C-N 3.31Å; S47-C49 PolarHBondContact O-N 2.8Å; S47-C49 PolarHBondContact OG-SG 2.95Å; C49-V85 HydrophobicContact CB-CG1 4.16Å; C49-V86 CarbonylContact C-O 3.56Å; C49-V86 VanDerWaalsContact CA-O 3.26Å; C49-V86 WeakPolarHBondContact CA-O 3.35Å | ||
| 50 | L | 98.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 57.2 Ų | 57.2 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 113.9 | 172.3 | 179.8 | 70.3 | 0 | 0 | 0 | 109.1 | W23 R42 V44 V85 V86 | W23-L50 HydrophobicContact CZ2-CD2 4.07Å; R42-L50 HydrophobicContact CG-CD1 3.71Å; V44-L50 HydrophobicContact CG2-CD1 3.95Å; L50-V85 CarbonylContact O-C 3.58Å; L50-V85 WeakPolarHBondContact O-CA 3.37Å; L50-V86 HydrophobicContact CB-CB 4.15Å; L50-V86 PolarHBondContact N-O 3.18Å; L50-V86 PolarHBondContact O-N 2.97Å |
| 51 | I | 98.5 | Very high | 94.8 | Very high | 51 Ų | 51 | 63 Ų | 63 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.3 | 170.2 | -60.7 | -179.6 | 0 | 0 | 0 | 108 | F41 R42 E43 T45 S84 V85 | F41-I51 HydrophobicContact CD1-CG2 4.45Å; F41-I51 HydrophobicContact CE1-CG2 4.08Å; R42-I51 WeakPolarHBondContact CA-O 3.37Å; E43-I51 HydrophobicContact CG-CB 4.03Å; E43-I51 PolarHBondContact N-O 3.09Å; E43-I51 PolarHBondContact O-N 2.98Å; T45-I51 HydrophobicContact CG2-CD1 3.3Å; T45-I51 HydrophobicContact CG2-CG1 3.72Å; I51-S84 WeakPolarHBondContact CA-O 3.3Å; I51-V85 HydrophobicContact CG1-CG2 4.3Å |
| 52 | S | 98.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 145 | 172.8 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | F41 R42 D83 S84 | F41-S52 CarbonylContact O-C 3.39Å; F41-S52 VanDerWaalsContact O-CA 3.28Å; F41-S52 WeakPolarHBondContact O-CA 3.43Å; R42-S52 WeakPolarHBondContact CG-OG 3.49Å; R42-S52 PolarHBondContact NE-OG 2.85Å; S52-D83 CarbonylContact O-C 3.53Å; S52-D83 WeakPolarHBondContact O-CA 3.49Å; S52-S84 PolarHBondContact N-O 3.13Å; S52-S84 PolarHBondContact O-N 2.89Å; S52-S84 PolarHBondContact O-OG 3.12Å; S52-S84 VanDerWaalsContact O-OG 3.14Å |
| 53 | R | 98.6 | Very high | 92.2 | Very high | 99 Ų | 99 | 55 Ų | 55 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.6 | 167.8 | -177.6 | 173.4 | -76.3 | 166.6 | -1.3 | 109.6 | I40 F41 I81 E82 D83 | I40-R53 HydrophobicContact CD1-CB 4.3Å; I40-R53 HydrophobicContact CD1-CG 3.46Å; I40-R53 VanDerWaalsContact CD1-CG 3.46Å; I40-R53 HydrophobicContact CG1-CB 3.87Å; I40-R53 HydrophobicContact CG1-CG 3.51Å; I40-R53 VanDerWaalsContact CG1-O 3.29Å; I40-R53 WeakPolarHBondContact CG1-O 3.19Å; I40-R53 PolarHBondContact N-O 3.31Å; F41-R53 HydrophobicContact CB-CB 4.03Å; F41-R53 PolarHBondContact N-O 3.33Å; F41-R53 PolarHBondContact O-N 3.44Å; R53-I81 HydrophobicContact CG-CG2 3.75Å; R53-E82 CarbonylContact C-O 3.56Å; R53-E82 WeakPolarHBondContact CA-O 3.31Å; R53-D83 VanDerWaalsContact CB-OD1 3.31Å; R53-D83 WeakPolarHBondContact CB-OD1 3.41Å; R53-D83 WeakPolarHBondContact CD-OD1 3.47Å; R53-D83 WeakPolarHBondContact CG-OD1 3.4Å; R53-D83 IonicContact CZ-OD1 2.77Å; R53-D83 IonicContact CZ-OD2 3.06Å; R53-D83 IonicContact NE-OD1 3.76Å; R53-D83 PolarHBondContact NE-OD1 3Å; R53-D83 IonicContact NE-OD2 2.78Å; R53-D83 IonicContact NH2-OD1 3.36Å; R53-D83 PolarHBondContact NH2-OD1 2.86Å; R53-D83 IonicContact NH2-OD2 2.6Å; R53-D83 PolarHBondContact NH2-OD2 2.85Å |
| 54 | R | 98.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 1% | 0.011 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 145.9 | 174.7 | -63.3 | -165.4 | -73.8 | -164.4 | -4.8 | 111.1 | W23 E37 D38 I39 L56 I81 E82 | W23-R54 HydrophobicContact CZ3-CG 4.41Å; E37-R54 IonicContact OE1-CZ 3.93Å; E37-R54 IonicContact OE1-NE 3.91Å; E37-R54 PolarHBondContact OE1-NE 3.33Å; E37-R54 IonicContact OE1-NH1 3.73Å; E37-R54 PolarHBondContact OE1-NH1 3.06Å; E37-R54 IonicContact OE1-NH2 3.46Å; D38-R54 CarbonylContact O-C 3.58Å; D38-R54 WeakPolarHBondContact O-CA 3.39Å; I39-R54 HydrophobicContact CG1-CG 4.04Å; R54-L56 HydrophobicContact CB-CD1 4.06Å; R54-I81 WeakPolarHBondContact O-CA 3.48Å; R54-E82 HydrophobicContact CB-CB 4.44Å; R54-E82 IonicContact CZ-OE1 3.07Å; R54-E82 PolarHBondContact N-O 2.87Å; R54-E82 IonicContact NE-OE1 3.57Å; R54-E82 PolarHBondContact NE-OE1 2.98Å; R54-E82 IonicContact NH2-OE1 3.51Å; R54-E82 PolarHBondContact NH2-OE1 3.48Å; R54-E82 IonicContact NH2-OE2 3.53Å; R54-E82 PolarHBondContact O-N 2.89Å |
| 55 | L | 97.8 | Very high | 89.8 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.4 | 166.8 | 176.3 | 65 | 0 | 0 | 0 | 108.2 | D38 I40 I81 I100 | D38-L55 PolarHBondContact N-O 3.16Å; D38-L55 PolarHBondContact O-N 3.4Å; I40-L55 HydrophobicContact CG2-CB 3.91Å; L55-I81 HydrophobicContact CB-CD1 4.41Å; L55-I81 HydrophobicContact CD1-CD1 3.78Å; L55-I100 HydrophobicContact CD1-CD1 4.26Å |
| 56 | L | 96.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.7 | 177 | -61.6 | 91.5 | 0 | 0 | 0 | 109.8 | Y26 V34 T36 R54 Y79 I80 E82 | Y26-L56 HydrophobicContact CD2-CD2 4.33Å; Y26-L56 HydrophobicContact CE2-CD2 3.63Å; V34-L56 HydrophobicContact CG1-CD2 4.43Å; T36-L56 WeakPolarHBondContact O-CA 3.34Å; R54-L56 HydrophobicContact CB-CD1 4.06Å; L56-Y79 WeakPolarHBondContact O-CA 3.47Å; L56-I80 HydrophobicContact CB-CB 4.36Å; L56-I80 PolarHBondContact N-O 3.03Å; L56-I80 PolarHBondContact O-N 3.43Å; L56-E82 HydrophobicContact CD1-CB 3.83Å |
| 57 | T | 94.1 | Very high | 87.4 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.2 | 170.2 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | L35 T36 Y79 | L35-T57 HydrophobicContact CD1-CG2 4.34Å; L35-T57 PolarHBondContact N-O 2.78Å; T36-T57 PolarHBondContact N-O 3.48Å; T36-T57 PolarHBondContact O-N 3.46Å; T36-T57 VanDerWaalsContact OG1-CB 3.24Å; T36-T57 WeakPolarHBondContact OG1-CB 3.26Å; T36-T57 PolarHBondContact OG1-OG1 2.91Å; T57-Y79 HydrophobicContact CG2-CD1 4.12Å; T57-Y79 HydrophobicContact CG2-CE1 3.82Å |
| 58 | K | 91.8 | Very high | 86.3 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.8 | 177.5 | -57.6 | -168.4 | -175.2 | 171.2 | 0 | 111.5 | H33 V34 S60 S77 A78 I80 | H33-K58 CarbonylContact O-C 3.49Å; H33-K58 WeakPolarHBondContact O-CA 3.42Å; H33-K58 WeakPolarHBondContact O-CB 3.43Å; V34-K58 HydrophobicContact CG2-CD 4.14Å; V34-K58 HydrophobicContact CG2-CG 4.17Å; K58-S60 PolarHBondContact O-N 3.27Å; K58-S77 CarbonylContact O-C 3.5Å; K58-S77 WeakPolarHBondContact O-CA 3.43Å; K58-A78 PolarHBondContact N-O 3.44Å; K58-A78 PolarHBondContact O-N 2.96Å; K58-I80 HydrophobicContact CD-CD1 3.5Å; K58-I80 HydrophobicContact CG-CD1 4.08Å |
| 59 | T | 87.6 | Confident | 85 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 34% | 0.344 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 119.1 | 165.3 | 59.2 | 0 | 0 | 0 | 0 | 108.6 | H33 L35 N76 | H33-T59 WeakPolarHBondContact CA-OG1 3.35Å; H33-T59 WeakPolarHBondContact CB-OG1 3.5Å; H33-T59 PolarHBondContact O-N 3.42Å; H33-T59 PolarHBondContact O-OG1 2.64Å; L35-T59 HydrophobicContact CD1-CG2 3.82Å; L35-T59 HydrophobicContact CD2-CG2 3.76Å; L35-T59 HydrophobicContact CG-CG2 3.91Å; T59-N76 WeakPolarHBondContact CA-O 3.41Å |
| 60 | S | 78.3 | Confident | 83.5 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | trans | -101.9 | 132.5 | 170.9 | -163.7 | 0 | 0 | 0 | 0 | 107.9 | K58 T75 N76 | K58-S60 PolarHBondContact O-N 3.27Å; S60-T75 CarbonylContact C-O 3.59Å; S60-N76 PolarHBondContact N-O 3.07Å; S60-N76 CarbonylContact O-C 3.55Å; S60-N76 WeakPolarHBondContact O-CA 3.34Å | ||
| 61 | R | 75.2 | Confident | 82 | Confident | 215 Ų | 215 | 66.3 Ų | 66.3 | 81% | 0.811 | 29% | 0.29 | S | S | * | . | trans | -118.4 | 107.7 | 162.7 | -72 | -173 | -177.8 | -176.9 | 0.5 | 105.5 | ||||
| 62 | A | 70.2 | Confident | 80.6 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | trans | -62.8 | 144.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | M66 E67 L70 | A62-M66 HydrophobicContact CB-CB 4.33Å; A62-M66 HydrophobicContact CB-CG 4.49Å; A62-M66 HydrophobicContact CB-SD 4.38Å; A62-E67 HydrophobicContact CB-CG 4.38Å; A62-L70 HydrophobicContact CB-CD1 3.64Å | ||
| 63 | P | 71 | Confident | 78.9 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 14% | 0.143 | 35% | 0.351 | C | S | . | . | trans | -56.7 | 147.3 | 167.3 | -24 | 34.1 | 0 | 0 | 0 | 110.9 | W65 M66 E67 F146 | P63-W65 HydrophobicContact CB-CD2 4.17Å; P63-W65 HydrophobicContact CB-CG 4.13Å; P63-W65 HydrophobicContact CB-CZ2 4.13Å; P63-W65 HydrophobicContact CG-CZ2 3.94Å; P63-W65 PolarHBondContact O-N 2.84Å; P63-W65 VanDerWaalsContact O-N 3.09Å; P63-M66 HydrophobicContact CB-CB 4.35Å; P63-M66 HydrophobicContact CG-CB 4.47Å; P63-M66 WeakPolarHBondContact O-CA 3.5Å; P63-M66 VanDerWaalsContact O-CB 3.32Å; P63-M66 WeakPolarHBondContact O-CB 3.23Å; P63-M66 PolarHBondContact O-N 2.99Å; P63-E67 PolarHBondContact O-N 3.5Å; P63-E67 VanDerWaalsContact O-N 3.11Å; P63-F146 HydrophobicContact CG-CD1 4.05Å; P63-F146 HydrophobicContact CG-CD2 3.72Å; P63-F146 HydrophobicContact CG-CE1 3.75Å; P63-F146 HydrophobicContact CG-CE2 3.43Å; P63-F146 VanDerWaalsContact CG-CE2 3.43Å; P63-F146 HydrophobicContact CG-CG 4.02Å; P63-F146 HydrophobicContact CG-CZ 3.42Å; P63-F146 VanDerWaalsContact CG-CZ 3.42Å | ||
| 64 | R | 74.9 | Confident | 77.3 | Confident | 217 Ų | 217 | 78.8 Ų | 78.8 | 82% | 0.819 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -52.9 | -35.5 | 178.9 | -71.7 | -175.7 | 176.2 | -179.9 | -1 | 113.9 | M66 E67 | R64-M66 VanDerWaalsContact C-N 3.26Å; R64-M66 PolarHBondContact O-N 3.49Å; R64-E67 PolarHBondContact O-N 3.05Å |
| 65 | W | 71.9 | Confident | 75.8 | Confident | 74 Ų | 74 | 79.7 Ų | 79.7 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.6 | -26.3 | 176.5 | 61.6 | -101.7 | 0 | 0 | 0 | 112.9 | P63 Y69 I143 F146 | P63-W65 HydrophobicContact CB-CD2 4.17Å; P63-W65 HydrophobicContact CB-CG 4.13Å; P63-W65 HydrophobicContact CB-CZ2 4.13Å; P63-W65 HydrophobicContact CG-CZ2 3.94Å; P63-W65 PolarHBondContact O-N 2.84Å; P63-W65 VanDerWaalsContact O-N 3.09Å; W65-Y69 WeakPolarHBondContact O-CD2 3.27Å; W65-Y69 WeakPolarHBondContact O-CE2 3.34Å; W65-I143 HydrophobicContact CH2-CB 4.39Å; W65-I143 HydrophobicContact CH2-CD1 4.38Å; W65-I143 HydrophobicContact CH2-CG1 3.38Å; W65-I143 HydrophobicContact CZ2-CG1 4.4Å; W65-I143 HydrophobicContact CZ3-CD1 4.47Å; W65-I143 HydrophobicContact CZ3-CG1 3.9Å; W65-F146 HydrophobicContact CZ2-CB 4.44Å |
| 66 | M | 69.8 | Low | 74.7 | Confident | 12 Ų | 12 | 82.7 Ų | 82.7 | 6% | 0.059 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -86.2 | -25.2 | 179.4 | -168.2 | -178.6 | -75.4 | 0 | 0 | 112.2 | A62 P63 R64 R68 Y69 L70 L105 | A62-M66 HydrophobicContact CB-CB 4.33Å; A62-M66 HydrophobicContact CB-CG 4.49Å; A62-M66 HydrophobicContact CB-SD 4.38Å; P63-M66 HydrophobicContact CB-CB 4.35Å; P63-M66 HydrophobicContact CG-CB 4.47Å; P63-M66 WeakPolarHBondContact O-CA 3.5Å; P63-M66 VanDerWaalsContact O-CB 3.32Å; P63-M66 WeakPolarHBondContact O-CB 3.23Å; P63-M66 PolarHBondContact O-N 2.99Å; R64-M66 VanDerWaalsContact C-N 3.26Å; R64-M66 PolarHBondContact O-N 3.49Å; M66-R68 PolarHBondContact O-N 2.93Å; M66-R68 VanDerWaalsContact O-N 3.15Å; M66-Y69 PolarHBondContact O-N 3.19Å; M66-L70 HydrophobicContact CG-CD1 3.75Å; M66-L70 HydrophobicContact CG-CG 4.15Å; M66-L70 PolarHBondContact O-N 3.4Å; M66-L70 HydrophobicContact SD-CD1 3.83Å; M66-L105 HydrophobicContact CG-CD1 3.75Å; M66-L105 HydrophobicContact SD-CD1 3.85Å |
| 67 | E | 73.9 | Confident | 74.1 | Confident | 105 Ų | 105 | 84.6 Ų | 84.6 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.8 | -30.2 | 176.3 | -69.4 | 173.1 | -155 | 0 | 0 | 112.7 | A62 P63 R64 Y69 | A62-E67 HydrophobicContact CB-CG 4.38Å; P63-E67 PolarHBondContact O-N 3.5Å; P63-E67 VanDerWaalsContact O-N 3.11Å; R64-E67 PolarHBondContact O-N 3.05Å; E67-Y69 PolarHBondContact O-N 3.02Å |
| 68 | R | 73.3 | Confident | 73.9 | Confident | 196 Ų | 196 | 84.4 Ų | 84.4 | 74% | 0.74 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.3 | 175.9 | -67.9 | -169.2 | -70 | -133.8 | 2 | 114.1 | M66 | M66-R68 PolarHBondContact O-N 2.93Å; M66-R68 VanDerWaalsContact O-N 3.15Å |
| 69 | Y | 69 | Low | 73.9 | Confident | 128 Ų | 128 | 87.7 Ų | 87.7 | 50% | 0.502 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -5.4 | -176 | -55.6 | -77.5 | 0 | 0 | 0 | 112.7 | W65 M66 E67 L139 | W65-Y69 WeakPolarHBondContact O-CD2 3.27Å; W65-Y69 WeakPolarHBondContact O-CE2 3.34Å; M66-Y69 PolarHBondContact O-N 3.19Å; E67-Y69 PolarHBondContact O-N 3.02Å; Y69-L139 HydrophobicContact CE2-CD1 3.91Å |
| 70 | L | 67.1 | Low | 74.3 | Confident | 17 Ų | 17 | 86 Ų | 86 | 9% | 0.089 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -108.3 | 133.5 | -179.5 | -79.1 | 174.3 | 0 | 0 | 0 | 111.6 | A62 M66 K72 T75 H102 L105 | A62-L70 HydrophobicContact CB-CD1 3.64Å; M66-L70 HydrophobicContact CG-CD1 3.75Å; M66-L70 HydrophobicContact CG-CG 4.15Å; M66-L70 PolarHBondContact O-N 3.4Å; M66-L70 HydrophobicContact SD-CD1 3.83Å; L70-K72 PolarHBondContact O-N 3.12Å; L70-T75 HydrophobicContact CB-CG2 3.93Å; L70-H102 WeakPolarHBondContact CD2-ND1 3.34Å; L70-L105 HydrophobicContact CD1-CD1 3.96Å; L70-L105 HydrophobicContact CD2-CD1 3.26Å; L70-L105 HydrophobicContact CD2-CG 4.17Å; L70-L105 HydrophobicContact CG-CD1 3.43Å; L70-L105 VanDerWaalsContact CG-CD1 3.43Å |
| 71 | P | 66.9 | Low | 75.3 | Confident | 62 Ų | 62 | 86 Ų | 86 | 40% | 0.403 | 38% | 0.384 | S | S | . | . | trans | -57.1 | 132.3 | 167.2 | -22.3 | 32.9 | 0 | 0 | 0 | 110.8 | H73 M74 | P71-H73 WeakPolarHBondContact CB-CE1 3.3Å; P71-H73 PolarHBondContact O-N 2.81Å; P71-M74 PolarHBondContact O-N 3.07Å | ||
| 72 | K | 67.7 | Low | 76.4 | Confident | 187 Ų | 187 | 76 Ų | 76 | 81% | 0.813 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -26.7 | -176.8 | -71.1 | -177.2 | 178.8 | 178.3 | 0 | 114.7 | L70 T75 | L70-K72 PolarHBondContact O-N 3.12Å; K72-T75 PolarHBondContact O-OG1 3.29Å |
| 73 | H | 64.4 | Low | 77.7 | Confident | 158 Ų | 158 | 77.2 Ų | 77.2 | 73% | 0.731 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -22.9 | 178 | 66.9 | -91 | 0 | 0 | 0 | 113.1 | P71 | P71-H73 WeakPolarHBondContact CB-CE1 3.3Å; P71-H73 PolarHBondContact O-N 2.81Å |
| 74 | M | 63.9 | Low | 79 | Confident | 68 Ų | 68 | 76.3 Ų | 76.3 | 34% | 0.335 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -12.6 | 177.9 | -85.8 | -177.4 | 71.9 | 0 | 0 | 112.6 | P71 N76 H102 | P71-M74 PolarHBondContact O-N 3.07Å; M74-N76 VanDerWaalsContact C-N 3.3Å; M74-N76 PolarHBondContact O-N 3.38Å; M74-H102 PolarHBondContact O-CE1 3.34Å; M74-H102 PolarHBondContact O-NE2 3.41Å |
| 75 | T | 66.1 | Low | 80.2 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -71.1 | -19.6 | -167.9 | 55.2 | 0 | 0 | 0 | 0 | 115.1 | S60 L70 K72 | S60-T75 CarbonylContact C-O 3.59Å; L70-T75 HydrophobicContact CB-CG2 3.93Å; K72-T75 PolarHBondContact O-OG1 3.29Å |
| 76 | N | 76.2 | Confident | 81.4 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -103.9 | -17.7 | -163.9 | -62.2 | -20.5 | 0 | 0 | 0 | 114.4 | T59 S60 M74 | T59-N76 WeakPolarHBondContact CA-O 3.41Å; S60-N76 PolarHBondContact N-O 3.07Å; S60-N76 CarbonylContact O-C 3.55Å; S60-N76 WeakPolarHBondContact O-CA 3.34Å; M74-N76 VanDerWaalsContact C-N 3.3Å; M74-N76 PolarHBondContact O-N 3.38Å |
| 77 | S | 83.6 | Confident | 82.8 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.1 | -179.3 | -60.7 | 0 | 0 | 0 | 0 | 111 | K58 H102 | K58-S77 CarbonylContact O-C 3.5Å; K58-S77 WeakPolarHBondContact O-CA 3.43Å; S77-H102 PolarHBondContact O-NE2 3.06Å |
| 78 | A | 88.6 | Confident | 83.8 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K58 | K58-A78 PolarHBondContact N-O 3.44Å; K58-A78 PolarHBondContact O-N 2.96Å |
| 79 | Y | 93 | Very high | 84.9 | Confident | 106 Ų | 106 | 62 Ų | 62 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 135.9 | 172 | -56.2 | -67.3 | 0 | 0 | 0 | 109.8 | L56 T57 I100 S101 | L56-Y79 WeakPolarHBondContact O-CA 3.47Å; T57-Y79 HydrophobicContact CG2-CD1 4.12Å; T57-Y79 HydrophobicContact CG2-CE1 3.82Å; Y79-I100 WeakPolarHBondContact O-CG1 3.24Å; Y79-I100 PolarHBondContact O-N 3.1Å; Y79-S101 WeakPolarHBondContact CB-OG 3.43Å; Y79-S101 WeakPolarHBondContact CD2-OG 3.3Å; Y79-S101 PolarHBondContact N-OG 3.47Å; Y79-S101 PolarHBondContact O-N 3.33Å |
| 80 | I | 95.6 | Very high | 86.1 | Confident | 22 Ų | 22 | 63.3 Ų | 63.3 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.9 | -176.7 | -66.3 | 174.4 | 0 | 0 | 0 | 107.9 | L56 K58 T97 W98 N99 | L56-I80 HydrophobicContact CB-CB 4.36Å; L56-I80 PolarHBondContact N-O 3.03Å; L56-I80 PolarHBondContact O-N 3.43Å; K58-I80 HydrophobicContact CD-CD1 3.5Å; K58-I80 HydrophobicContact CG-CD1 4.08Å; I80-T97 HydrophobicContact CG2-CG2 3.21Å; I80-W98 WeakPolarHBondContact CA-O 3.42Å; I80-W98 WeakPolarHBondContact CG2-O 3.33Å; I80-N99 HydrophobicContact CG1-CB 4.34Å |
| 81 | I | 98.1 | Very high | 87.5 | Confident | 18 Ų | 18 | 67.9 Ų | 67.9 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 139.2 | 168.7 | -61.5 | -65.2 | 0 | 0 | 0 | 108.1 | I40 R53 R54 L55 T97 W98 I100 | I40-I81 HydrophobicContact CD1-CD1 4.15Å; R53-I81 HydrophobicContact CG-CG2 3.75Å; R54-I81 WeakPolarHBondContact O-CA 3.48Å; L55-I81 HydrophobicContact CB-CD1 4.41Å; L55-I81 HydrophobicContact CD1-CD1 3.78Å; I81-T97 CarbonylContact O-C 3.36Å; I81-T97 VanDerWaalsContact O-CA 3.29Å; I81-T97 WeakPolarHBondContact O-CA 3.42Å; I81-W98 HydrophobicContact CB-CD2 4.16Å; I81-W98 HydrophobicContact CB-CE3 4.5Å; I81-W98 HydrophobicContact CB-CH2 4.09Å; I81-W98 HydrophobicContact CB-CZ2 3.69Å; I81-W98 HydrophobicContact CB-CZ3 4.46Å; I81-W98 HydrophobicContact CG1-CZ2 4.35Å; I81-W98 HydrophobicContact CG2-CD2 4.49Å; I81-W98 HydrophobicContact CG2-CE3 4.46Å; I81-W98 HydrophobicContact CG2-CH2 3.39Å; I81-W98 HydrophobicContact CG2-CZ2 3.39Å; I81-W98 HydrophobicContact CG2-CZ3 3.95Å; I81-W98 PolarHBondContact N-O 3.13Å; I81-W98 PolarHBondContact O-N 3.49Å; I81-I100 HydrophobicContact CD1-CD1 4.34Å; I81-I100 HydrophobicContact CG1-CD1 4.21Å; I81-I100 HydrophobicContact CG1-CG2 3.69Å |
| 82 | E | 98.5 | Very high | 89 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 114.1 | 168.8 | -176.6 | -170.5 | 75 | 0 | 0 | 109.8 | F22 R25 R53 R54 L56 L96 T97 | F22-E82 VanDerWaalsContact CZ-OE1 3.3Å; F22-E82 WeakPolarHBondContact CZ-OE1 3.48Å; R25-E82 IonicContact CZ-OE2 2.68Å; R25-E82 VanDerWaalsContact CZ-OE2 3.29Å; R25-E82 IonicContact NH1-OE2 3.88Å; R25-E82 PolarHBondContact NH1-OE2 3.18Å; R25-E82 VanDerWaalsContact NH1-OE2 3.07Å; R25-E82 IonicContact NH2-OE1 2.75Å; R25-E82 PolarHBondContact NH2-OE1 2.99Å; R25-E82 IonicContact NH2-OE2 3.73Å; R25-E82 PolarHBondContact NH2-OE2 3.46Å; R53-E82 CarbonylContact C-O 3.56Å; R53-E82 WeakPolarHBondContact CA-O 3.31Å; R54-E82 HydrophobicContact CB-CB 4.44Å; R54-E82 IonicContact CZ-OE1 3.07Å; R54-E82 PolarHBondContact N-O 2.87Å; R54-E82 IonicContact NE-OE1 3.57Å; R54-E82 PolarHBondContact NE-OE1 2.98Å; R54-E82 IonicContact NH2-OE1 3.51Å; R54-E82 PolarHBondContact NH2-OE1 3.48Å; R54-E82 IonicContact NH2-OE2 3.53Å; R54-E82 PolarHBondContact O-N 2.89Å; L56-E82 HydrophobicContact CD1-CB 3.83Å; E82-L96 CarbonylContact C-O 2.99Å; E82-L96 WeakPolarHBondContact CA-O 3.26Å; E82-T97 HydrophobicContact CB-CG2 4.44Å |
| 83 | D | 98.6 | Very high | 90.5 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 21% | 0.214 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 144.4 | 166.5 | -76.3 | -5.7 | 0 | 0 | 0 | 109.8 | S52 R53 T95 L96 W98 | S52-D83 CarbonylContact O-C 3.53Å; S52-D83 WeakPolarHBondContact O-CA 3.49Å; R53-D83 VanDerWaalsContact CB-OD1 3.31Å; R53-D83 WeakPolarHBondContact CB-OD1 3.41Å; R53-D83 WeakPolarHBondContact CD-OD1 3.47Å; R53-D83 WeakPolarHBondContact CG-OD1 3.4Å; R53-D83 IonicContact CZ-OD1 2.77Å; R53-D83 IonicContact CZ-OD2 3.06Å; R53-D83 IonicContact NE-OD1 3.76Å; R53-D83 PolarHBondContact NE-OD1 3Å; R53-D83 IonicContact NE-OD2 2.78Å; R53-D83 IonicContact NH2-OD1 3.36Å; R53-D83 PolarHBondContact NH2-OD1 2.86Å; R53-D83 IonicContact NH2-OD2 2.6Å; R53-D83 PolarHBondContact NH2-OD2 2.85Å; D83-T95 CarbonylContact O-C 3.47Å; D83-T95 WeakPolarHBondContact O-CA 3.41Å; D83-L96 HydrophobicContact CB-CB 4.5Å; D83-L96 PolarHBondContact N-O 2.95Å; D83-L96 PolarHBondContact O-N 3.47Å; D83-W98 HydrophobicContact CB-CH2 4.38Å; D83-W98 HydrophobicContact CB-CZ3 4.13Å; D83-W98 WeakPolarHBondContact OD2-CH2 3.44Å |
| 84 | S | 98.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 143.8 | 179 | 54.9 | 0 | 0 | 0 | 0 | 111 | W23 I51 S52 T94 | W23-S84 WeakPolarHBondContact CH2-OG 3.31Å; I51-S84 WeakPolarHBondContact CA-O 3.3Å; S52-S84 PolarHBondContact N-O 3.13Å; S52-S84 PolarHBondContact O-N 2.89Å; S52-S84 PolarHBondContact O-OG 3.12Å; S52-S84 VanDerWaalsContact O-OG 3.14Å; S84-T94 CarbonylContact C-O 3.53Å; S84-T94 VanDerWaalsContact CA-O 3.26Å; S84-T94 WeakPolarHBondContact CA-O 3.47Å |
| 85 | V | 98.6 | Very high | 93.7 | Very high | 62 Ų | 62 | 48.7 Ų | 48.7 | 38% | 0.376 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120.1 | 173 | -175.6 | 0 | 0 | 0 | 0 | 107.5 | C49 L50 I51 M93 T94 | C49-V85 HydrophobicContact CB-CG1 4.16Å; L50-V85 CarbonylContact O-C 3.58Å; L50-V85 WeakPolarHBondContact O-CA 3.37Å; I51-V85 HydrophobicContact CG1-CG2 4.3Å; V85-M93 CarbonylContact O-C 3.33Å; V85-M93 WeakPolarHBondContact O-CA 3.26Å; V85-T94 PolarHBondContact N-O 2.68Å; V85-T94 PolarHBondContact O-N 2.9Å |
| 86 | V | 98.6 | Very high | 95.3 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.9 | 173.3 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | W15 W23 C49 L50 P88 M93 | W15-V86 HydrophobicContact CH2-CG1 3.84Å; W15-V86 HydrophobicContact CZ2-CG1 3.88Å; W23-V86 HydrophobicContact CZ2-CG2 4.15Å; C49-V86 CarbonylContact C-O 3.56Å; C49-V86 VanDerWaalsContact CA-O 3.26Å; C49-V86 WeakPolarHBondContact CA-O 3.35Å; L50-V86 HydrophobicContact CB-CB 4.15Å; L50-V86 PolarHBondContact N-O 3.18Å; L50-V86 PolarHBondContact O-N 2.97Å; V86-P88 WeakPolarHBondContact O-CD 3.2Å; V86-M93 HydrophobicContact CG2-CB 4.3Å; V86-M93 HydrophobicContact CG2-CG 3.93Å; V86-M93 HydrophobicContact CG2-SD 4.03Å |
| 87 | D | 97.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 102 | 173.6 | -176.6 | -26.8 | 0 | 0 | 0 | 108.2 | Q89 K90 R91 T92 | D87-Q89 VanDerWaalsContact C-N 3.3Å; D87-Q89 PolarHBondContact O-N 3.15Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.42Å; D87-Q89 PolarHBondContact OD1-N 3.08Å; D87-K90 HydrophobicContact CB-CB 4.35Å; D87-K90 PolarHBondContact OD1-N 3.44Å; D87-K90 VanDerWaalsContact OD2-CD 3.22Å; D87-K90 WeakPolarHBondContact OD2-CD 3.29Å; D87-K90 WeakPolarHBondContact OD2-CE 3.47Å; D87-K90 WeakPolarHBondContact OD2-CG 3.35Å; D87-K90 IonicContact OD2-NZ 2.64Å; D87-R91 WeakPolarHBondContact O-CA 3.43Å; D87-R91 PolarHBondContact O-N 3.3Å; D87-T92 PolarHBondContact N-O 2.85Å; D87-T92 PolarHBondContact O-N 3.03Å |
| 88 | P | 96.1 | Very high | 96.9 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -23.3 | -178.9 | 29 | -34.2 | 0 | 0 | 0 | 113 | N48 V86 | N48-P88 WeakPolarHBondContact O-CD 3.37Å; N48-P88 WeakPolarHBondContact O-CG 3.47Å; V86-P88 WeakPolarHBondContact O-CD 3.2Å |
| 89 | Q | 95.1 | Very high | 97.1 | Very high | 152 Ų | 152 | 48.1 Ų | 48.1 | 71% | 0.71 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -44.1 | 178.1 | -63.6 | -173.6 | 6.6 | 0 | 0 | 110.5 | D87 R91 | D87-Q89 VanDerWaalsContact C-N 3.3Å; D87-Q89 PolarHBondContact O-N 3.15Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.42Å; D87-Q89 PolarHBondContact OD1-N 3.08Å; Q89-R91 VanDerWaalsContact C-N 3.31Å |
| 90 | K | 95.4 | Very high | 97 | Very high | 155 Ų | 155 | 47 Ų | 47 | 67% | 0.674 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -9.3 | 176.6 | -63.1 | -178.1 | -168.5 | 157.8 | 0 | 113.4 | D87 T92 | D87-K90 HydrophobicContact CB-CB 4.35Å; D87-K90 PolarHBondContact OD1-N 3.44Å; D87-K90 VanDerWaalsContact OD2-CD 3.22Å; D87-K90 WeakPolarHBondContact OD2-CD 3.29Å; D87-K90 WeakPolarHBondContact OD2-CE 3.47Å; D87-K90 WeakPolarHBondContact OD2-CG 3.35Å; D87-K90 IonicContact OD2-NZ 2.64Å; K90-T92 VanDerWaalsContact C-N 3.29Å; K90-T92 HydrophobicContact CB-CG2 4.13Å; K90-T92 PolarHBondContact O-N 2.92Å |
| 91 | R | 96.3 | Very high | 96.5 | Very high | 113 Ų | 113 | 46.7 Ų | 46.7 | 43% | 0.426 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 53 | -171.6 | -63.3 | -179.5 | 177.5 | -173 | -1.6 | 110.9 | W15 D87 Q89 M116 | W15-R91 VanDerWaalsContact CD1-O 3.27Å; W15-R91 HydrophobicContact CD2-CB 3.78Å; W15-R91 HydrophobicContact CD2-CG 4.46Å; W15-R91 HydrophobicContact CE3-CB 3.79Å; W15-R91 HydrophobicContact CE3-CG 3.96Å; W15-R91 HydrophobicContact CG-CB 4.23Å; W15-R91 VanDerWaalsContact CZ2-C 3.46Å; W15-R91 HydrophobicContact CZ3-CB 4.2Å; W15-R91 HydrophobicContact CZ3-CG 4.14Å; W15-R91 VanDerWaalsContact NE1-C 3.34Å; W15-R91 PolarHBondContact NE1-O 3Å; W15-R91 VanDerWaalsContact NE1-O 3.07Å; D87-R91 WeakPolarHBondContact O-CA 3.43Å; D87-R91 PolarHBondContact O-N 3.3Å; Q89-R91 VanDerWaalsContact C-N 3.31Å; R91-M116 HydrophobicContact CB-CG 4.26Å; R91-M116 HydrophobicContact CB-SD 4.07Å; R91-M116 WeakPolarHBondContact CD-SD 3.41Å; R91-M116 HydrophobicContact CG-SD 4.34Å; R91-M116 PolarHBondContact NH1-SD 3.39Å |
| 92 | T | 97.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 47 Ų | 47 | 18% | 0.184 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.8 | 176 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | D87 K90 Y114 Q115 | D87-T92 PolarHBondContact N-O 2.85Å; D87-T92 PolarHBondContact O-N 3.03Å; K90-T92 VanDerWaalsContact C-N 3.29Å; K90-T92 HydrophobicContact CB-CG2 4.13Å; K90-T92 PolarHBondContact O-N 2.92Å; T92-Y114 WeakPolarHBondContact CA-O 3.45Å; T92-Q115 HydrophobicContact CG2-CB 4.18Å |
| 93 | M | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.2 | 167.6 | 171.7 | 175.4 | 71.7 | 0 | 0 | 107.5 | F22 V85 V86 T95 Y114 | F22-M93 HydrophobicContact CB-CE 3.66Å; F22-M93 HydrophobicContact CB-SD 4.21Å; F22-M93 HydrophobicContact CD1-CE 4Å; F22-M93 HydrophobicContact CD1-SD 3.61Å; F22-M93 HydrophobicContact CD2-CE 3.78Å; F22-M93 HydrophobicContact CD2-SD 4.4Å; F22-M93 HydrophobicContact CE1-SD 3.96Å; F22-M93 HydrophobicContact CE2-CE 4.36Å; F22-M93 HydrophobicContact CG-CE 3.56Å; F22-M93 HydrophobicContact CG-SD 3.84Å; F22-M93 HydrophobicContact CZ-SD 4.49Å; V85-M93 CarbonylContact O-C 3.33Å; V85-M93 WeakPolarHBondContact O-CA 3.26Å; V86-M93 HydrophobicContact CG2-CB 4.3Å; V86-M93 HydrophobicContact CG2-CG 3.93Å; V86-M93 HydrophobicContact CG2-SD 4.03Å; M93-T95 HydrophobicContact CG-CG2 4.17Å; M93-Y114 HydrophobicContact CB-CD2 4.35Å; M93-Y114 HydrophobicContact CE-CD1 3.93Å; M93-Y114 HydrophobicContact CE-CD2 3.48Å; M93-Y114 VanDerWaalsContact CE-CD2 3.48Å; M93-Y114 HydrophobicContact CE-CE1 4.2Å; M93-Y114 HydrophobicContact CE-CE2 3.79Å; M93-Y114 HydrophobicContact CE-CG 3.58Å; M93-Y114 HydrophobicContact CG-CD2 4.2Å; M93-Y114 PolarHBondContact N-O 2.95Å; M93-Y114 WeakPolarHBondContact O-CD2 3.34Å; M93-Y114 PolarHBondContact O-N 2.9Å |
| 94 | T | 98.6 | Very high | 93.9 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 25% | 0.245 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.7 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 108.5 | S84 V85 R111 C112 L113 | S84-T94 CarbonylContact C-O 3.53Å; S84-T94 VanDerWaalsContact CA-O 3.26Å; S84-T94 WeakPolarHBondContact CA-O 3.47Å; V85-T94 PolarHBondContact N-O 2.68Å; V85-T94 PolarHBondContact O-N 2.9Å; T94-R111 HydrophobicContact CG2-CG 4.4Å; T94-C112 CarbonylContact C-O 3.55Å; T94-C112 WeakPolarHBondContact CA-O 3.44Å; T94-L113 WeakPolarHBondContact OG1-CD1 3.47Å |
| 95 | T | 98.5 | Very high | 93 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141 | 177 | 63.3 | 0 | 0 | 0 | 0 | 109.4 | F22 D83 M93 R111 C112 Y114 | F22-T95 HydrophobicContact CE1-CG2 4.22Å; F22-T95 HydrophobicContact CE2-CG2 3.63Å; F22-T95 HydrophobicContact CZ-CG2 3.36Å; D83-T95 CarbonylContact O-C 3.47Å; D83-T95 WeakPolarHBondContact O-CA 3.41Å; M93-T95 HydrophobicContact CG-CG2 4.17Å; T95-R111 CarbonylContact O-C 3.56Å; T95-R111 VanDerWaalsContact O-CA 3.28Å; T95-R111 WeakPolarHBondContact O-CA 3.18Å; T95-C112 PolarHBondContact N-O 3.49Å; T95-C112 PolarHBondContact O-N 2.64Å; T95-C112 WeakPolarHBondContact OG1-CB 3.31Å; T95-C112 PolarHBondContact OG1-O 2.84Å; T95-Y114 HydrophobicContact CG2-CD2 4.45Å; T95-Y114 HydrophobicContact CG2-CE2 3.85Å |
| 96 | L | 98.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120 | 173.5 | -178.9 | 67.4 | 0 | 0 | 0 | 107.9 | E82 D83 W98 E110 R111 | E82-L96 CarbonylContact C-O 2.99Å; E82-L96 WeakPolarHBondContact CA-O 3.26Å; D83-L96 HydrophobicContact CB-CB 4.5Å; D83-L96 PolarHBondContact N-O 2.95Å; D83-L96 PolarHBondContact O-N 3.47Å; L96-W98 HydrophobicContact CB-CZ3 4.39Å; L96-W98 HydrophobicContact CD2-CE3 4.21Å; L96-W98 HydrophobicContact CD2-CZ3 3.95Å; L96-W98 HydrophobicContact CG-CE3 3.92Å; L96-W98 HydrophobicContact CG-CZ3 3.95Å; L96-W98 WeakPolarHBondContact O-CZ3 3.4Å; L96-E110 CarbonylContact C-O 3.55Å; L96-E110 WeakPolarHBondContact CA-O 3.38Å; L96-R111 HydrophobicContact CD1-CB 4.29Å |
| 97 | T | 97.4 | Very high | 92 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132 | -175.4 | -53.3 | 0 | 0 | 0 | 0 | 109.9 | I80 I81 E82 E109 E110 | I80-T97 HydrophobicContact CG2-CG2 3.21Å; I81-T97 CarbonylContact O-C 3.36Å; I81-T97 VanDerWaalsContact O-CA 3.29Å; I81-T97 WeakPolarHBondContact O-CA 3.42Å; E82-T97 HydrophobicContact CB-CG2 4.44Å; T97-E109 CarbonylContact O-C 3.55Å; T97-E109 WeakPolarHBondContact O-CA 3.45Å; T97-E110 PolarHBondContact N-O 3.04Å; T97-E110 PolarHBondContact O-N 3.43Å |
| 98 | W | 95.9 | Very high | 91.7 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 150 | 175.2 | 67.5 | 98.2 | 0 | 0 | 0 | 112.8 | I80 I81 D83 L96 V108 E109 | I80-W98 WeakPolarHBondContact CA-O 3.42Å; I80-W98 WeakPolarHBondContact CG2-O 3.33Å; I81-W98 HydrophobicContact CB-CD2 4.16Å; I81-W98 HydrophobicContact CB-CE3 4.5Å; I81-W98 HydrophobicContact CB-CH2 4.09Å; I81-W98 HydrophobicContact CB-CZ2 3.69Å; I81-W98 HydrophobicContact CB-CZ3 4.46Å; I81-W98 HydrophobicContact CG1-CZ2 4.35Å; I81-W98 HydrophobicContact CG2-CD2 4.49Å; I81-W98 HydrophobicContact CG2-CE3 4.46Å; I81-W98 HydrophobicContact CG2-CH2 3.39Å; I81-W98 HydrophobicContact CG2-CZ2 3.39Å; I81-W98 HydrophobicContact CG2-CZ3 3.95Å; I81-W98 PolarHBondContact N-O 3.13Å; I81-W98 PolarHBondContact O-N 3.49Å; D83-W98 HydrophobicContact CB-CH2 4.38Å; D83-W98 HydrophobicContact CB-CZ3 4.13Å; D83-W98 WeakPolarHBondContact OD2-CH2 3.44Å; L96-W98 HydrophobicContact CB-CZ3 4.39Å; L96-W98 HydrophobicContact CD2-CE3 4.21Å; L96-W98 HydrophobicContact CD2-CZ3 3.95Å; L96-W98 HydrophobicContact CG-CE3 3.92Å; L96-W98 HydrophobicContact CG-CZ3 3.95Å; L96-W98 WeakPolarHBondContact O-CZ3 3.4Å; W98-V108 VanDerWaalsContact CA-O 3.3Å; W98-V108 WeakPolarHBondContact CA-O 3.28Å; W98-E109 HydrophobicContact CB-CG 3.84Å |
| 99 | N | 93 | Very high | 91.7 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.2 | 174.5 | 63.5 | -72 | 0 | 0 | 0 | 111.1 | I80 S101 M106 V108 | I80-N99 HydrophobicContact CG1-CB 4.34Å; N99-S101 PolarHBondContact ND2-O 2.97Å; N99-M106 PolarHBondContact ND2-O 2.92Å; N99-V108 PolarHBondContact N-O 3.3Å; N99-V108 PolarHBondContact OD1-N 3.46Å; N99-V108 PolarHBondContact OD1-O 3.16Å |
| 100 | I | 91.1 | Very high | 91.8 | Very high | 84 Ų | 84 | 52.6 Ų | 52.6 | 43% | 0.431 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -90.7 | -31.3 | 170.8 | 57 | 170.3 | 0 | 0 | 0 | 111 | L55 Y79 I81 | L55-I100 HydrophobicContact CD1-CD1 4.26Å; Y79-I100 WeakPolarHBondContact O-CG1 3.24Å; Y79-I100 PolarHBondContact O-N 3.1Å; I81-I100 HydrophobicContact CD1-CD1 4.34Å; I81-I100 HydrophobicContact CG1-CD1 4.21Å; I81-I100 HydrophobicContact CG1-CG2 3.69Å |
| 101 | S | 85.2 | Confident | 91.9 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 146.2 | 169.7 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | Y79 N99 A103 | Y79-S101 WeakPolarHBondContact CB-OG 3.43Å; Y79-S101 WeakPolarHBondContact CD2-OG 3.3Å; Y79-S101 PolarHBondContact N-OG 3.47Å; Y79-S101 PolarHBondContact O-N 3.33Å; N99-S101 PolarHBondContact ND2-O 2.97Å; S101-A103 PolarHBondContact O-N 2.94Å |
| 102 | H | 79.3 | Confident | 92 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 11% | 0.111 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 9.1 | 173.6 | -50.6 | -73.1 | 0 | 0 | 0 | 115.5 | L70 M74 S77 R104 L105 M106 | L70-H102 WeakPolarHBondContact CD2-ND1 3.34Å; M74-H102 PolarHBondContact O-CE1 3.34Å; M74-H102 PolarHBondContact O-NE2 3.41Å; S77-H102 PolarHBondContact O-NE2 3.06Å; H102-R104 PolarHBondContact O-N 3.19Å; H102-R104 VanDerWaalsContact O-N 3.14Å; H102-L105 WeakPolarHBondContact O-CB 3.26Å; H102-L105 PolarHBondContact O-N 2.94Å; H102-M106 PolarHBondContact O-N 2.92Å |
| 103 | A | 81.8 | Confident | 92 | Very high | 40 Ų | 40 | 45.6 Ų | 45.6 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -28.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S101 L105 M106 | S101-A103 PolarHBondContact O-N 2.94Å; A103-L105 PolarHBondContact O-N 2.79Å; A103-M106 WeakPolarHBondContact CA-O 3.5Å |
| 104 | R | 79.1 | Confident | 92 | Very high | 217 Ų | 217 | 45.7 Ų | 45.7 | 82% | 0.819 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.8 | 172.3 | -68.8 | -173.4 | 177.8 | -174.5 | -0.6 | 114 | H102 S135 | H102-R104 PolarHBondContact O-N 3.19Å; H102-R104 VanDerWaalsContact O-N 3.14Å; R104-S135 PolarHBondContact O-OG 2.77Å |
| 105 | L | 80.4 | Confident | 92 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -49.1 | 176.8 | -61.3 | -166.4 | 0 | 0 | 0 | 111.3 | M66 L70 H102 A103 S134 L136 | M66-L105 HydrophobicContact CG-CD1 3.75Å; M66-L105 HydrophobicContact SD-CD1 3.85Å; L70-L105 HydrophobicContact CD1-CD1 3.96Å; L70-L105 HydrophobicContact CD2-CD1 3.26Å; L70-L105 HydrophobicContact CD2-CG 4.17Å; L70-L105 HydrophobicContact CG-CD1 3.43Å; L70-L105 VanDerWaalsContact CG-CD1 3.43Å; H102-L105 WeakPolarHBondContact O-CB 3.26Å; H102-L105 PolarHBondContact O-N 2.94Å; A103-L105 PolarHBondContact O-N 2.79Å; L105-S134 WeakPolarHBondContact O-CB 3.22Å; L105-S134 PolarHBondContact O-OG 3.12Å; L105-L136 HydrophobicContact CD2-CD1 3.65Å; L105-L136 HydrophobicContact CD2-CD2 4.13Å; L105-L136 HydrophobicContact CD2-CG 3.98Å |
| 106 | M | 86.1 | Confident | 91.9 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | trans | -148.7 | 122.8 | -178.4 | -175.6 | -178.7 | 68.6 | 0 | 0 | 108.9 | N99 H102 A103 V108 I132 S133 I143 F146 | N99-M106 PolarHBondContact ND2-O 2.92Å; H102-M106 PolarHBondContact O-N 2.92Å; A103-M106 WeakPolarHBondContact CA-O 3.5Å; M106-V108 HydrophobicContact CE-CG2 3.77Å; M106-V108 HydrophobicContact CG-CG2 4.02Å; M106-V108 HydrophobicContact SD-CG2 4.08Å; M106-I132 HydrophobicContact CG-CG2 4.29Å; M106-I132 HydrophobicContact SD-CG2 4.38Å; M106-S133 WeakPolarHBondContact CA-O 3.38Å; M106-I143 HydrophobicContact CB-CG2 3.73Å; M106-I143 HydrophobicContact CG-CG2 3.68Å; M106-I143 HydrophobicContact SD-CG2 3.89Å; M106-F146 HydrophobicContact CE-CE1 4.46Å; M106-F146 HydrophobicContact SD-CD1 4.34Å | ||
| 107 | S | 89.8 | Confident | 91.8 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130 | 166.8 | -167.4 | 0 | 0 | 0 | 0 | 108.5 | I132 S133 | S107-I132 WeakPolarHBondContact O-CA 3.34Å; S107-S133 WeakPolarHBondContact CB-OG 3.49Å; S107-S133 PolarHBondContact N-O 2.95Å; S107-S133 PolarHBondContact O-N 3.05Å |
| 108 | V | 92.2 | Very high | 91.5 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114.9 | 172.4 | -177.1 | 0 | 0 | 0 | 0 | 106.5 | W98 N99 M106 W131 I132 | W98-V108 VanDerWaalsContact CA-O 3.3Å; W98-V108 WeakPolarHBondContact CA-O 3.28Å; N99-V108 PolarHBondContact N-O 3.3Å; N99-V108 PolarHBondContact OD1-N 3.46Å; N99-V108 PolarHBondContact OD1-O 3.16Å; M106-V108 HydrophobicContact CE-CG2 3.77Å; M106-V108 HydrophobicContact CG-CG2 4.02Å; M106-V108 HydrophobicContact SD-CG2 4.08Å; V108-W131 WeakPolarHBondContact CA-O 3.37Å; V108-I132 HydrophobicContact CG1-CG1 4.31Å; V108-I132 HydrophobicContact CG2-CG1 4.35Å; V108-I132 HydrophobicContact CG2-CG2 4.44Å |
| 109 | E | 95.4 | Very high | 91.3 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 38% | 0.383 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.4 | 173.7 | -68 | 169 | -125.4 | 0 | 0 | 107.3 | T97 W98 A130 W131 | T97-E109 CarbonylContact O-C 3.55Å; T97-E109 WeakPolarHBondContact O-CA 3.45Å; W98-E109 HydrophobicContact CB-CG 3.84Å; E109-A130 CarbonylContact O-C 3.52Å; E109-A130 WeakPolarHBondContact O-CA 3.34Å; E109-W131 HydrophobicContact CB-CE3 4.39Å; E109-W131 PolarHBondContact N-O 2.95Å; E109-W131 PolarHBondContact O-N 3.45Å |
| 110 | E | 97.1 | Very high | 91.4 | Very high | 33 Ų | 33 | 58 Ų | 58 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.1 | 178.8 | -179.3 | -178.1 | 144.5 | 0 | 0 | 109.3 | L96 T97 C112 R128 E129 F151 | L96-E110 CarbonylContact C-O 3.55Å; L96-E110 WeakPolarHBondContact CA-O 3.38Å; T97-E110 PolarHBondContact N-O 3.04Å; T97-E110 PolarHBondContact O-N 3.43Å; E110-C112 PolarHBondContact OE1-SG 2.91Å; E110-R128 HydrophobicContact CG-CG 3.98Å; E110-R128 WeakPolarHBondContact OE1-CD 3.39Å; E110-R128 IonicContact OE1-CZ 3.05Å; E110-R128 IonicContact OE1-NE 3.79Å; E110-R128 PolarHBondContact OE1-NE 2.89Å; E110-R128 IonicContact OE1-NH2 3.4Å; E110-E129 CarbonylContact C-O 3.42Å; E110-E129 WeakPolarHBondContact CA-O 3.29Å; E110-F151 HydrophobicContact CG-CE2 4.33Å |
| 111 | R | 98.1 | Very high | 91.4 | Very high | 112 Ų | 112 | 55.9 Ų | 55.9 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.8 | 170 | -177.7 | -176.5 | 178.5 | -173.8 | 1.5 | 109.1 | T94 T95 L96 R128 E129 W131 | T94-R111 HydrophobicContact CG2-CG 4.4Å; T95-R111 CarbonylContact O-C 3.56Å; T95-R111 VanDerWaalsContact O-CA 3.28Å; T95-R111 WeakPolarHBondContact O-CA 3.18Å; L96-R111 HydrophobicContact CD1-CB 4.29Å; R111-R128 CarbonylContact O-C 3.58Å; R111-R128 WeakPolarHBondContact O-CA 3.36Å; R111-E129 HydrophobicContact CB-CB 4.44Å; R111-E129 PolarHBondContact N-O 3.14Å; R111-E129 PolarHBondContact O-N 2.99Å; R111-W131 HydrophobicContact CB-CH2 4.18Å; R111-W131 HydrophobicContact CB-CZ3 3.81Å |
| 112 | C | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.4 | 167.7 | -66.5 | 0 | 0 | 0 | 0 | 110.6 | T94 T95 E110 Y114 I126 K127 R128 | T94-C112 CarbonylContact C-O 3.55Å; T94-C112 WeakPolarHBondContact CA-O 3.44Å; T95-C112 PolarHBondContact N-O 3.49Å; T95-C112 PolarHBondContact O-N 2.64Å; T95-C112 WeakPolarHBondContact OG1-CB 3.31Å; T95-C112 PolarHBondContact OG1-O 2.84Å; E110-C112 PolarHBondContact OE1-SG 2.91Å; C112-Y114 HydrophobicContact CB-CD2 4.2Å; C112-Y114 HydrophobicContact CB-CE2 3.47Å; C112-Y114 VanDerWaalsContact CB-CE2 3.47Å; C112-I126 HydrophobicContact CB-CG2 4.28Å; C112-K127 CarbonylContact C-O 3.53Å; C112-K127 VanDerWaalsContact CA-O 3.31Å; C112-K127 WeakPolarHBondContact CA-O 3.37Å; C112-R128 VanDerWaalsContact SG-CG 3.56Å; C112-R128 PolarHBondContact SG-NE 2.85Å |
| 113 | L | 98.4 | Very high | 92.7 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117.7 | 167.4 | 173.6 | 64.3 | 0 | 0 | 0 | 108.7 | T94 I126 K127 | T94-L113 WeakPolarHBondContact OG1-CD1 3.47Å; L113-I126 CarbonylContact O-C 3.55Å; L113-I126 WeakPolarHBondContact O-CA 3.47Å; L113-K127 HydrophobicContact CB-CB 4.39Å; L113-K127 PolarHBondContact N-O 2.99Å; L113-K127 PolarHBondContact O-N 2.9Å |
| 114 | Y | 98.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121 | 173.8 | -54.4 | -105.4 | 0 | 0 | 0 | 107.7 | W15 V18 T92 M93 T95 C112 E125 I126 F162 | W15-Y114 PolarHBondContact NE1-O 3.1Å; V18-Y114 HydrophobicContact CG1-CD1 3.98Å; T92-Y114 WeakPolarHBondContact CA-O 3.45Å; M93-Y114 HydrophobicContact CB-CD2 4.35Å; M93-Y114 HydrophobicContact CE-CD1 3.93Å; M93-Y114 HydrophobicContact CE-CD2 3.48Å; M93-Y114 VanDerWaalsContact CE-CD2 3.48Å; M93-Y114 HydrophobicContact CE-CE1 4.2Å; M93-Y114 HydrophobicContact CE-CE2 3.79Å; M93-Y114 HydrophobicContact CE-CG 3.58Å; M93-Y114 HydrophobicContact CG-CD2 4.2Å; M93-Y114 PolarHBondContact N-O 2.95Å; M93-Y114 WeakPolarHBondContact O-CD2 3.34Å; M93-Y114 PolarHBondContact O-N 2.9Å; T95-Y114 HydrophobicContact CG2-CD2 4.45Å; T95-Y114 HydrophobicContact CG2-CE2 3.85Å; C112-Y114 HydrophobicContact CB-CD2 4.2Å; C112-Y114 HydrophobicContact CB-CE2 3.47Å; C112-Y114 VanDerWaalsContact CB-CE2 3.47Å; Y114-E125 WeakPolarHBondContact CA-O 3.49Å; Y114-I126 HydrophobicContact CD1-CB 4.42Å; Y114-I126 HydrophobicContact CD1-CD1 3.81Å; Y114-I126 HydrophobicContact CD1-CG1 3.62Å; Y114-I126 HydrophobicContact CD1-CG2 4.09Å; Y114-I126 HydrophobicContact CE1-CD1 3.65Å; Y114-I126 HydrophobicContact CE1-CG1 3.92Å; Y114-I126 HydrophobicContact CE1-CG2 3.91Å; Y114-I126 HydrophobicContact CG-CG1 4.48Å; Y114-F162 AromaticContact CE1-CE2 3.89Å; Y114-F162 HydrophobicContact CE1-CE2 3.89Å; Y114-F162 AromaticContact CE1-CZ 3.73Å; Y114-F162 HydrophobicContact CE1-CZ 3.73Å |
| 115 | Q | 97.6 | Very high | 94.3 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.5 | -177.4 | 60.4 | 178.5 | 19.7 | 0 | 0 | 110.3 | T92 N117 T124 E125 | T92-Q115 HydrophobicContact CG2-CB 4.18Å; Q115-N117 PolarHBondContact O-N 2.97Å; Q115-T124 WeakPolarHBondContact O-CA 3.35Å; Q115-T124 WeakPolarHBondContact O-CG2 3.47Å; Q115-E125 HydrophobicContact CG-CB 4.35Å; Q115-E125 PolarHBondContact N-O 2.99Å; Q115-E125 PolarHBondContact NE2-OE2 2.93Å; Q115-E125 PolarHBondContact O-N 3.24Å |
| 116 | M | 97.3 | Very high | 95.2 | Very high | 62 Ų | 62 | 49.7 Ų | 49.7 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 138.9 | 170.4 | -69.2 | -179.5 | 60.2 | 0 | 0 | 110.4 | W15 R91 | W15-M116 HydrophobicContact CB-CG 3.8Å; W15-M116 HydrophobicContact CG-CG 4.46Å; R91-M116 HydrophobicContact CB-CG 4.26Å; R91-M116 HydrophobicContact CB-SD 4.07Å; R91-M116 WeakPolarHBondContact CD-SD 3.41Å; R91-M116 HydrophobicContact CG-SD 4.34Å; R91-M116 PolarHBondContact NH1-SD 3.39Å |
| 117 | N | 95.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 10% | 0.096 | 27% | 0.274 | C | S | . | . | trans | -69 | 133.5 | 175 | 177.5 | -73 | 0 | 0 | 0 | 109.6 | L10 Q115 E119 N120 W123 E125 | L10-N117 HydrophobicContact CD1-CB 4.4Å; Q115-N117 PolarHBondContact O-N 2.97Å; N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 PolarHBondContact O-N 3.18Å; N117-E119 WeakPolarHBondContact OD1-CA 3.42Å; N117-E119 WeakPolarHBondContact OD1-CB 3.43Å; N117-E119 PolarHBondContact OD1-N 3.44Å; N117-N120 WeakPolarHBondContact CB-O 3.49Å; N117-N120 CarbonylContact O-C 3.58Å; N117-N120 PolarHBondContact OD1-N 2.68Å; N117-W123 HydrophobicContact CB-CB 4.03Å; N117-W123 WeakPolarHBondContact CB-O 3.42Å; N117-W123 PolarHBondContact N-O 3.49Å; N117-E125 HydrophobicContact CB-CB 4.45Å | ||
| 118 | P | 91.6 | Very high | 96.1 | Very high | 109 Ų | 109 | 52 Ų | 52 | 71% | 0.708 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -69.8 | -24.9 | -175 | 26.9 | -34.5 | 0 | 0 | 0 | 113.6 | ||
| 119 | E | 93.1 | Very high | 96.3 | Very high | 186 Ų | 186 | 52.9 Ų | 52.9 | 87% | 0.869 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -90.9 | -32.7 | 179.7 | -59.9 | 178.2 | 176 | 0 | 0 | 111.7 | N117 | N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 PolarHBondContact O-N 3.18Å; N117-E119 WeakPolarHBondContact OD1-CA 3.42Å; N117-E119 WeakPolarHBondContact OD1-CB 3.43Å; N117-E119 PolarHBondContact OD1-N 3.44Å |
| 120 | N | 93.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 49 Ų | 49 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | trans | -137.4 | 102.7 | -179.7 | -174 | -12.6 | 0 | 0 | 0 | 111.6 | N117 S122 W123 | N117-N120 WeakPolarHBondContact CB-O 3.49Å; N117-N120 CarbonylContact O-C 3.58Å; N117-N120 PolarHBondContact OD1-N 2.68Å; N120-S122 PolarHBondContact O-N 3.43Å; N120-S122 VanDerWaalsContact OD1-CB 3.28Å; N120-S122 WeakPolarHBondContact OD1-CB 3.42Å; N120-S122 PolarHBondContact OD1-N 2.77Å; N120-W123 HydrophobicContact CB-CD2 4.18Å; N120-W123 HydrophobicContact CB-CE3 4.22Å; N120-W123 HydrophobicContact CB-CG 4.3Å; N120-W123 VanDerWaalsContact ND2-CE2 3.32Å; N120-W123 PolarHBondContact ND2-NE1 2.91Å; N120-W123 PolarHBondContact O-N 2.82Å | ||
| 121 | G | 92.1 | Very high | 96.2 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 42% | 0.423 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | W123 | G121-W123 VanDerWaalsContact C-N 3.33Š|
| 122 | S | 94.6 | Very high | 95.9 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 49% | 0.49 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -7.4 | 173.5 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | N13 T14 N120 | N13-S122 CarbonylContact C-O 3.57Å; T14-S122 PolarHBondContact N-O 2.89Å; N120-S122 PolarHBondContact O-N 3.43Å; N120-S122 VanDerWaalsContact OD1-CB 3.28Å; N120-S122 WeakPolarHBondContact OD1-CB 3.42Å; N120-S122 PolarHBondContact OD1-N 2.77Å |
| 123 | W | 96.9 | Very high | 95.5 | Very high | 83 Ų | 83 | 49 Ų | 49 | 31% | 0.314 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -114 | 156 | -179.3 | -63.4 | -5.4 | 0 | 0 | 0 | 111.2 | L10 L11 K12 N13 N117 N120 G121 | L10-W123 HydrophobicContact CD1-CB 4.13Å; L10-W123 HydrophobicContact CD1-CE3 4.16Å; L10-W123 HydrophobicContact CD2-CD2 4.49Å; L10-W123 HydrophobicContact CD2-CE3 3.6Å; L10-W123 HydrophobicContact CD2-CZ3 3.77Å; L10-W123 HydrophobicContact CG-CE3 4.2Å; L11-W123 WeakPolarHBondContact O-CA 3.43Å; K12-W123 HydrophobicContact CD-CZ2 4.36Å; K12-W123 HydrophobicContact CG-CD2 4.41Å; K12-W123 HydrophobicContact CG-CZ2 4.27Å; N13-W123 CarbonylContact O-C 3.57Å; N13-W123 WeakPolarHBondContact O-CA 3.36Å; N117-W123 HydrophobicContact CB-CB 4.03Å; N117-W123 WeakPolarHBondContact CB-O 3.42Å; N117-W123 PolarHBondContact N-O 3.49Å; N120-W123 HydrophobicContact CB-CD2 4.18Å; N120-W123 HydrophobicContact CB-CE3 4.22Å; N120-W123 HydrophobicContact CB-CG 4.3Å; N120-W123 VanDerWaalsContact ND2-CE2 3.32Å; N120-W123 PolarHBondContact ND2-NE1 2.91Å; N120-W123 PolarHBondContact O-N 2.82Å; G121-W123 VanDerWaalsContact C-N 3.33Å |
| 124 | T | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.1 | 178.1 | -56 | 0 | 0 | 0 | 0 | 109.6 | L11 N13 T14 W15 V18 Q115 | L11-T124 PolarHBondContact N-O 2.94Å; L11-T124 PolarHBondContact O-N 3.46Å; N13-T124 PolarHBondContact O-N 3.47Å; N13-T124 VanDerWaalsContact O-N 3.12Å; N13-T124 PolarHBondContact O-OG1 2.8Å; T14-T124 VanDerWaalsContact C-OG1 3.28Å; T14-T124 PolarHBondContact O-OG1 3.2Å; W15-T124 VanDerWaalsContact CA-OG1 3.23Å; W15-T124 WeakPolarHBondContact CA-OG1 3.47Å; W15-T124 PolarHBondContact N-OG1 3.39Å; W15-T124 VanDerWaalsContact N-OG1 3.15Å; V18-T124 HydrophobicContact CB-CG2 4.18Å; V18-T124 HydrophobicContact CG1-CG2 4.09Å; V18-T124 HydrophobicContact CG2-CG2 4.18Å; V18-T124 WeakPolarHBondContact CG2-OG1 3.1Å; Q115-T124 WeakPolarHBondContact O-CA 3.35Å; Q115-T124 WeakPolarHBondContact O-CG2 3.47Å |
| 125 | E | 97.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 15% | 0.145 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 137.4 | 171.7 | -175.1 | -178.5 | -108.3 | 0 | 0 | 109.8 | T8 Y114 Q115 N117 K127 | T8-E125 HydrophobicContact CG2-CG 3.6Å; Y114-E125 WeakPolarHBondContact CA-O 3.49Å; Q115-E125 HydrophobicContact CG-CB 4.35Å; Q115-E125 PolarHBondContact N-O 2.99Å; Q115-E125 PolarHBondContact NE2-OE2 2.93Å; Q115-E125 PolarHBondContact O-N 3.24Å; N117-E125 HydrophobicContact CB-CB 4.45Å; E125-K127 HydrophobicContact CG-CG 4.44Å; E125-K127 WeakPolarHBondContact OE2-CE 3.36Å; E125-K127 IonicContact OE2-NZ 3.71Å |
| 126 | I | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 106.9 | 175.9 | -51.5 | 175.1 | 0 | 0 | 0 | 108.1 | T8 G9 L11 C112 L113 Y114 M159 | T8-I126 CarbonylContact C-O 3.57Å; T8-I126 WeakPolarHBondContact CA-O 3.37Å; G9-I126 PolarHBondContact N-O 3.33Å; G9-I126 PolarHBondContact O-N 3.25Å; L11-I126 HydrophobicContact CD1-CD1 3.66Å; L11-I126 HydrophobicContact CG-CD1 3.98Å; C112-I126 HydrophobicContact CB-CG2 4.28Å; L113-I126 CarbonylContact O-C 3.55Å; L113-I126 WeakPolarHBondContact O-CA 3.47Å; Y114-I126 HydrophobicContact CD1-CB 4.42Å; Y114-I126 HydrophobicContact CD1-CD1 3.81Å; Y114-I126 HydrophobicContact CD1-CG1 3.62Å; Y114-I126 HydrophobicContact CD1-CG2 4.09Å; Y114-I126 HydrophobicContact CE1-CD1 3.65Å; Y114-I126 HydrophobicContact CE1-CG1 3.92Å; Y114-I126 HydrophobicContact CE1-CG2 3.91Å; Y114-I126 HydrophobicContact CG-CG1 4.48Å; I126-M159 HydrophobicContact CD1-CE 4.42Å; I126-M159 HydrophobicContact CD1-SD 4.08Å |
| 127 | K | 97.7 | Very high | 91.6 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 39% | 0.391 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.4 | 169.7 | -61 | -173.9 | -173.9 | -179.6 | 0 | 108.6 | C112 L113 E125 | C112-K127 CarbonylContact C-O 3.53Å; C112-K127 VanDerWaalsContact CA-O 3.31Å; C112-K127 WeakPolarHBondContact CA-O 3.37Å; L113-K127 HydrophobicContact CB-CB 4.39Å; L113-K127 PolarHBondContact N-O 2.99Å; L113-K127 PolarHBondContact O-N 2.9Å; E125-K127 HydrophobicContact CG-CG 4.44Å; E125-K127 WeakPolarHBondContact OE2-CE 3.36Å; E125-K127 IonicContact OE2-NZ 3.71Å |
| 128 | R | 97.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 1% | 0.011 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.9 | -178.5 | 177.5 | -177.5 | -75.6 | 121.8 | 4.9 | 110.3 | C6 C7 E110 R111 C112 F151 | C6-R128 CarbonylContact C-O 3.55Å; C6-R128 VanDerWaalsContact CA-O 3.3Å; C6-R128 WeakPolarHBondContact CA-O 3.44Å; C7-R128 PolarHBondContact N-O 2.79Å; C7-R128 PolarHBondContact O-N 2.8Å; E110-R128 HydrophobicContact CG-CG 3.98Å; E110-R128 WeakPolarHBondContact OE1-CD 3.39Å; E110-R128 IonicContact OE1-CZ 3.05Å; E110-R128 IonicContact OE1-NE 3.79Å; E110-R128 PolarHBondContact OE1-NE 2.89Å; E110-R128 IonicContact OE1-NH2 3.4Å; R111-R128 CarbonylContact O-C 3.58Å; R111-R128 WeakPolarHBondContact O-CA 3.36Å; C112-R128 VanDerWaalsContact SG-CG 3.56Å; C112-R128 PolarHBondContact SG-NE 2.85Å; R128-F151 HydrophobicContact CG-CE2 4.09Å; R128-F151 HydrophobicContact CG-CZ 3.85Å |
| 129 | E | 96.9 | Very high | 90.1 | Very high | 52 Ų | 52 | 60 Ų | 60 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.9 | 177.3 | -62.4 | 177.2 | 148.1 | 0 | 0 | 108.7 | Y4 V5 E110 R111 W131 | Y4-E129 HydrophobicContact CE2-CB 4.05Å; Y4-E129 HydrophobicContact CE2-CG 4.28Å; Y4-E129 PolarHBondContact OH-OE1 3.18Å; V5-E129 CarbonylContact O-C 3.46Å; V5-E129 WeakPolarHBondContact O-CA 3.36Å; E110-E129 CarbonylContact C-O 3.42Å; E110-E129 WeakPolarHBondContact CA-O 3.29Å; R111-E129 HydrophobicContact CB-CB 4.44Å; R111-E129 PolarHBondContact N-O 3.14Å; R111-E129 PolarHBondContact O-N 2.99Å; E129-W131 HydrophobicContact CB-CH2 3.53Å; E129-W131 HydrophobicContact CB-CZ2 4.17Å; E129-W131 HydrophobicContact CB-CZ3 3.87Å; E129-W131 HydrophobicContact CG-CH2 4.44Å; E129-W131 WeakPolarHBondContact OE2-CH2 3.5Å |
| 130 | A | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 140.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y4 V5 E109 F151 | Y4-A130 CarbonylContact C-O 3.54Å; Y4-A130 WeakPolarHBondContact CA-O 3.38Å; V5-A130 PolarHBondContact N-O 2.94Å; V5-A130 PolarHBondContact O-N 2.82Å; E109-A130 CarbonylContact O-C 3.52Å; E109-A130 WeakPolarHBondContact O-CA 3.34Å; A130-F151 HydrophobicContact CB-CD2 3.68Å; A130-F151 HydrophobicContact CB-CE1 4.44Å; A130-F151 HydrophobicContact CB-CE2 3.31Å; A130-F151 HydrophobicContact CB-CG 4.37Å; A130-F151 HydrophobicContact CB-CZ 3.74Å |
| 131 | W | 94.6 | Very high | 89 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119.2 | 175.3 | -60.2 | -95.6 | 0 | 0 | 0 | 108.9 | K3 Y4 V108 E109 R111 E129 | K3-W131 WeakPolarHBondContact O-CA 3.22Å; Y4-W131 AromaticContact CD2-CD1 3.9Å; Y4-W131 HydrophobicContact CD2-CD2 4.36Å; Y4-W131 AromaticContact CD2-CE2 3.73Å; Y4-W131 HydrophobicContact CD2-CG 4.44Å; Y4-W131 HydrophobicContact CD2-CZ2 4.15Å; Y4-W131 AromaticContact CD2-NE1 3.43Å; Y4-W131 AromaticContact CE2-CE2 3.88Å; Y4-W131 AromaticContact CE2-CZ2 3.8Å; Y4-W131 HydrophobicContact CE2-CZ2 3.8Å; Y4-W131 AromaticContact CE2-NE1 3.95Å; V108-W131 WeakPolarHBondContact CA-O 3.37Å; E109-W131 HydrophobicContact CB-CE3 4.39Å; E109-W131 PolarHBondContact N-O 2.95Å; E109-W131 PolarHBondContact O-N 3.45Å; R111-W131 HydrophobicContact CB-CH2 4.18Å; R111-W131 HydrophobicContact CB-CZ3 3.81Å; E129-W131 HydrophobicContact CB-CH2 3.53Å; E129-W131 HydrophobicContact CB-CZ2 4.17Å; E129-W131 HydrophobicContact CB-CZ3 3.87Å; E129-W131 HydrophobicContact CG-CH2 4.44Å; E129-W131 WeakPolarHBondContact OE2-CH2 3.5Å |
| 132 | I | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 111 | -179.3 | -58.2 | 164.6 | 0 | 0 | 0 | 107.6 | G2 K3 M106 S107 V108 L148 F151 | G2-I132 CarbonylContact C-O 3.48Å; G2-I132 VanDerWaalsContact CA-O 3.22Å; G2-I132 WeakPolarHBondContact CA-O 3.45Å; K3-I132 PolarHBondContact N-O 3.42Å; K3-I132 PolarHBondContact O-N 2.9Å; M106-I132 HydrophobicContact CG-CG2 4.29Å; M106-I132 HydrophobicContact SD-CG2 4.38Å; S107-I132 WeakPolarHBondContact O-CA 3.34Å; V108-I132 HydrophobicContact CG1-CG1 4.31Å; V108-I132 HydrophobicContact CG2-CG1 4.35Å; V108-I132 HydrophobicContact CG2-CG2 4.44Å; I132-L148 HydrophobicContact CD1-CB 4.49Å; I132-F151 HydrophobicContact CD1-CB 4.35Å |
| 133 | S | 88.3 | Confident | 88 | Confident | 47 Ų | 47 | 56 Ų | 56 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 157.8 | -179.4 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | M106 S107 | M106-S133 WeakPolarHBondContact CA-O 3.38Å; S107-S133 WeakPolarHBondContact CB-OG 3.49Å; S107-S133 PolarHBondContact N-O 2.95Å; S107-S133 PolarHBondContact O-N 3.05Å |
| 134 | S | 84.9 | Confident | 87.4 | Confident | 18 Ų | 18 | 53 Ų | 53 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | trans | -144.5 | 136.6 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | L105 L136 I143 | L105-S134 WeakPolarHBondContact O-CB 3.22Å; L105-S134 PolarHBondContact O-OG 3.12Å; S134-L136 PolarHBondContact OG-N 2.6Å; S134-I143 WeakPolarHBondContact OG-CD1 3.28Å | ||
| 135 | S | 78.4 | Confident | 86.8 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 51% | 0.51 | 30% | 0.298 | S | S | . | . | trans | -90.3 | -1.7 | 172.9 | 35.7 | 0 | 0 | 0 | 0 | 113.5 | R104 Y137 | R104-S135 PolarHBondContact O-OG 2.77Å; S135-Y137 PolarHBondContact O-N 3.36Å | ||
| 136 | L | 75.9 | Confident | 86.3 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | trans | -82.8 | 107.5 | 177.3 | -72.1 | -173.5 | 0 | 0 | 0 | 111.7 | L105 S134 L139 S140 I143 | L105-L136 HydrophobicContact CD2-CD1 3.65Å; L105-L136 HydrophobicContact CD2-CD2 4.13Å; L105-L136 HydrophobicContact CD2-CG 3.98Å; S134-L136 PolarHBondContact OG-N 2.6Å; L136-L139 HydrophobicContact CD1-CD1 4.42Å; L136-S140 PolarHBondContact O-N 2.86Å; L136-I143 HydrophobicContact CB-CD1 3.82Å; L136-I143 HydrophobicContact CD1-CD1 3.81Å; L136-I143 HydrophobicContact CG-CD1 4.27Å | ||
| 137 | Y | 70.5 | Confident | 85.7 | Confident | 231 Ų | 231 | 58.7 Ų | 58.7 | 91% | 0.906 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 135.2 | 171.2 | -67.5 | -87.4 | 0 | 0 | 0 | 110.8 | S135 L139 | S135-Y137 PolarHBondContact O-N 3.36Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 3.4Å |
| 138 | G | 77.6 | Confident | 85.3 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 81% | 0.814 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -19.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 139 | L | 78.5 | Confident | 84.9 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 29% | 0.288 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 1.7 | 177.9 | -65.6 | 177.8 | 0 | 0 | 0 | 114 | Y69 L136 Y137 R141 A142 I143 | Y69-L139 HydrophobicContact CE2-CD1 3.91Å; L136-L139 HydrophobicContact CD1-CD1 4.42Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 3.4Å; L139-R141 VanDerWaalsContact C-N 3.29Å; L139-R141 PolarHBondContact O-N 2.86Å; L139-A142 PolarHBondContact O-N 2.89Å; L139-I143 HydrophobicContact CB-CD1 3.81Å; L139-I143 HydrophobicContact CB-CG1 4.45Å; L139-I143 WeakPolarHBondContact O-CD1 3.48Å; L139-I143 WeakPolarHBondContact O-CG1 3.31Å; L139-I143 PolarHBondContact O-N 2.65Å |
| 140 | S | 80.1 | Confident | 84.4 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.5 | -42.8 | -173.8 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | L136 I143 Q144 | L136-S140 PolarHBondContact O-N 2.86Å; S140-I143 PolarHBondContact O-N 3.07Å; S140-Q144 VanDerWaalsContact O-CB 3.32Å; S140-Q144 WeakPolarHBondContact O-CB 3.43Å; S140-Q144 WeakPolarHBondContact O-CG 3.11Å; S140-Q144 PolarHBondContact O-N 2.91Å |
| 141 | R | 82.4 | Confident | 84.1 | Confident | 175 Ų | 175 | 61 Ų | 61 | 66% | 0.66 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.4 | -48.1 | 179.6 | -176 | 176.7 | 174.9 | 176.8 | 0.9 | 112.6 | L139 I143 Q144 E145 | L139-R141 VanDerWaalsContact C-N 3.29Å; L139-R141 PolarHBondContact O-N 2.86Å; R141-I143 VanDerWaalsContact C-N 3.33Å; R141-I143 PolarHBondContact O-N 2.8Å; R141-Q144 PolarHBondContact O-N 2.85Å; R141-E145 WeakPolarHBondContact CG-OE1 3.39Å; R141-E145 IonicContact CZ-OE1 3.77Å; R141-E145 IonicContact NE-OE1 2.95Å; R141-E145 PolarHBondContact NE-OE1 3Å; R141-E145 IonicContact NH2-OE1 3.69Å; R141-E145 WeakPolarHBondContact O-CB 3.38Å; R141-E145 WeakPolarHBondContact O-CG 3.38Å; R141-E145 PolarHBondContact O-N 2.95Å |
| 142 | A | 83 | Confident | 84 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | L139 F146 | L139-A142 PolarHBondContact O-N 2.89Å; A142-F146 VanDerWaalsContact O-CB 3.3Å; A142-F146 WeakPolarHBondContact O-CB 3.35Å; A142-F146 PolarHBondContact O-N 3.5Å |
| 143 | I | 82.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63 | -46 | 175.3 | -68.4 | 157.8 | 0 | 0 | 0 | 110.8 | W65 M106 S134 L136 L139 S140 R141 F146 G147 | W65-I143 HydrophobicContact CH2-CB 4.39Å; W65-I143 HydrophobicContact CH2-CD1 4.38Å; W65-I143 HydrophobicContact CH2-CG1 3.38Å; W65-I143 HydrophobicContact CZ2-CG1 4.4Å; W65-I143 HydrophobicContact CZ3-CD1 4.47Å; W65-I143 HydrophobicContact CZ3-CG1 3.9Å; M106-I143 HydrophobicContact CB-CG2 3.73Å; M106-I143 HydrophobicContact CG-CG2 3.68Å; M106-I143 HydrophobicContact SD-CG2 3.89Å; S134-I143 WeakPolarHBondContact OG-CD1 3.28Å; L136-I143 HydrophobicContact CB-CD1 3.82Å; L136-I143 HydrophobicContact CD1-CD1 3.81Å; L136-I143 HydrophobicContact CG-CD1 4.27Å; L139-I143 HydrophobicContact CB-CD1 3.81Å; L139-I143 HydrophobicContact CB-CG1 4.45Å; L139-I143 WeakPolarHBondContact O-CD1 3.48Å; L139-I143 WeakPolarHBondContact O-CG1 3.31Å; L139-I143 PolarHBondContact O-N 2.65Å; S140-I143 PolarHBondContact O-N 3.07Å; R141-I143 VanDerWaalsContact C-N 3.33Å; R141-I143 PolarHBondContact O-N 2.8Å; I143-F146 PolarHBondContact O-N 3Å; I143-G147 PolarHBondContact O-N 2.95Å |
| 144 | Q | 84.6 | Confident | 84 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 9% | 0.093 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 179.6 | -75.7 | 169.8 | 6.9 | 0 | 0 | 112.6 | M1 K3 S140 R141 G147 L148 | M1-Q144 PolarHBondContact O-NE2 3.01Å; K3-Q144 HydrophobicContact CD-CB 3.96Å; K3-Q144 HydrophobicContact CG-CB 4.06Å; K3-Q144 HydrophobicContact CG-CG 4.06Å; S140-Q144 VanDerWaalsContact O-CB 3.32Å; S140-Q144 WeakPolarHBondContact O-CB 3.43Å; S140-Q144 WeakPolarHBondContact O-CG 3.11Å; S140-Q144 PolarHBondContact O-N 2.91Å; R141-Q144 PolarHBondContact O-N 2.85Å; Q144-G147 PolarHBondContact O-N 3.38Å; Q144-L148 VanDerWaalsContact O-CB 3.29Å; Q144-L148 WeakPolarHBondContact O-CB 3.33Å; Q144-L148 PolarHBondContact O-N 2.87Å |
| 145 | E | 86.3 | Confident | 84.4 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 176.4 | -74 | 174.6 | -171.5 | 0 | 0 | 111.3 | R141 L148 A149 | R141-E145 WeakPolarHBondContact CG-OE1 3.39Å; R141-E145 IonicContact CZ-OE1 3.77Å; R141-E145 IonicContact NE-OE1 2.95Å; R141-E145 PolarHBondContact NE-OE1 3Å; R141-E145 IonicContact NH2-OE1 3.69Å; R141-E145 WeakPolarHBondContact O-CB 3.38Å; R141-E145 WeakPolarHBondContact O-CG 3.38Å; R141-E145 PolarHBondContact O-N 2.95Å; E145-L148 PolarHBondContact O-N 3.13Å; E145-A149 WeakPolarHBondContact O-CB 3.35Å; E145-A149 PolarHBondContact O-N 3.48Å |
| 146 | F | 86 | Confident | 85.2 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 26% | 0.263 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 172.6 | 173.8 | -103.9 | 0 | 0 | 0 | 112 | P63 W65 M106 A142 I143 L148 A149 R150 | P63-F146 HydrophobicContact CG-CD1 4.05Å; P63-F146 HydrophobicContact CG-CD2 3.72Å; P63-F146 HydrophobicContact CG-CE1 3.75Å; P63-F146 HydrophobicContact CG-CE2 3.43Å; P63-F146 VanDerWaalsContact CG-CE2 3.43Å; P63-F146 HydrophobicContact CG-CG 4.02Å; P63-F146 HydrophobicContact CG-CZ 3.42Å; P63-F146 VanDerWaalsContact CG-CZ 3.42Å; W65-F146 HydrophobicContact CZ2-CB 4.44Å; M106-F146 HydrophobicContact CE-CE1 4.46Å; M106-F146 HydrophobicContact SD-CD1 4.34Å; A142-F146 VanDerWaalsContact O-CB 3.3Å; A142-F146 WeakPolarHBondContact O-CB 3.35Å; A142-F146 PolarHBondContact O-N 3.5Å; I143-F146 PolarHBondContact O-N 3Å; F146-L148 VanDerWaalsContact C-N 3.34Å; F146-L148 PolarHBondContact O-N 2.85Å; F146-A149 PolarHBondContact O-N 3.46Å; F146-R150 WeakPolarHBondContact O-CB 3.42Å; F146-R150 PolarHBondContact O-N 2.98Å |
| 147 | G | 86.7 | Confident | 86.1 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I143 Q144 R150 F151 | I143-G147 PolarHBondContact O-N 2.95Å; Q144-G147 PolarHBondContact O-N 3.38Å; G147-R150 PolarHBondContact O-N 3.29Å; G147-F151 WeakPolarHBondContact O-CB 3.43Å; G147-F151 PolarHBondContact O-N 2.92Å |
| 148 | L | 87.8 | Confident | 87.2 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 19% | 0.194 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 178.5 | 177.7 | 63.9 | 0 | 0 | 0 | 111.9 | V5 I132 Q144 E145 F146 R150 F151 K152 | V5-L148 HydrophobicContact CG1-CD1 4.23Å; V5-L148 HydrophobicContact CG2-CD1 3.47Å; V5-L148 VanDerWaalsContact CG2-CD1 3.47Å; I132-L148 HydrophobicContact CD1-CB 4.49Å; Q144-L148 VanDerWaalsContact O-CB 3.29Å; Q144-L148 WeakPolarHBondContact O-CB 3.33Å; Q144-L148 PolarHBondContact O-N 2.87Å; E145-L148 PolarHBondContact O-N 3.13Å; F146-L148 VanDerWaalsContact C-N 3.34Å; F146-L148 PolarHBondContact O-N 2.85Å; L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 PolarHBondContact O-N 3.04Å; L148-F151 PolarHBondContact O-N 3.4Å; L148-K152 WeakPolarHBondContact O-CG 2.86Å; L148-K152 PolarHBondContact O-N 2.89Å |
| 149 | A | 89.1 | Confident | 88.1 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E145 F146 N153 | E145-A149 WeakPolarHBondContact O-CB 3.35Å; E145-A149 PolarHBondContact O-N 3.48Å; F146-A149 PolarHBondContact O-N 3.46Å; A149-N153 PolarHBondContact O-N 2.75Å; A149-N153 PolarHBondContact O-ND2 2.84Å |
| 150 | R | 87.8 | Confident | 88.9 | Confident | 94 Ų | 94 | 59 Ų | 59 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 176.7 | -166.6 | 179.1 | -175 | 104.5 | -1.3 | 112.1 | F146 G147 L148 N153 S154 | F146-R150 WeakPolarHBondContact O-CB 3.42Å; F146-R150 PolarHBondContact O-N 2.98Å; G147-R150 PolarHBondContact O-N 3.29Å; L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 PolarHBondContact O-N 3.04Å; R150-N153 PolarHBondContact O-N 3.46Å; R150-S154 WeakPolarHBondContact O-CB 3.39Å; R150-S154 PolarHBondContact O-N 2.79Å; R150-S154 PolarHBondContact O-OG 2.94Å |
| 151 | F | 89.6 | Confident | 89.6 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.044 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -52.1 | 176 | 174.2 | -101.5 | 0 | 0 | 0 | 111 | V5 E110 R128 A130 I132 G147 L148 N153 S154 V155 | V5-F151 HydrophobicContact CB-CD1 4.3Å; V5-F151 HydrophobicContact CB-CE1 4.01Å; V5-F151 HydrophobicContact CG1-CD1 3.96Å; V5-F151 HydrophobicContact CG1-CE1 3.56Å; E110-F151 HydrophobicContact CG-CE2 4.33Å; R128-F151 HydrophobicContact CG-CE2 4.09Å; R128-F151 HydrophobicContact CG-CZ 3.85Å; A130-F151 HydrophobicContact CB-CD2 3.68Å; A130-F151 HydrophobicContact CB-CE1 4.44Å; A130-F151 HydrophobicContact CB-CE2 3.31Å; A130-F151 HydrophobicContact CB-CG 4.37Å; A130-F151 HydrophobicContact CB-CZ 3.74Å; I132-F151 HydrophobicContact CD1-CB 4.35Å; G147-F151 WeakPolarHBondContact O-CB 3.43Å; G147-F151 PolarHBondContact O-N 2.92Å; L148-F151 PolarHBondContact O-N 3.4Å; F151-N153 VanDerWaalsContact C-N 3.29Å; F151-N153 PolarHBondContact O-N 2.89Å; F151-S154 CarbonylContact O-C 3.58Å; F151-S154 WeakPolarHBondContact O-CA 3.11Å; F151-S154 WeakPolarHBondContact O-CB 3.36Å; F151-S154 PolarHBondContact O-N 2.83Å; F151-V155 HydrophobicContact CD1-CG2 4.27Å; F151-V155 HydrophobicContact CE1-CG2 3.81Å; F151-V155 HydrophobicContact CE2-CG2 4.08Å; F151-V155 HydrophobicContact CZ-CG2 3.72Å; F151-V155 WeakPolarHBondContact O-CG2 3.35Å; F151-V155 PolarHBondContact O-N 2.93Å |
| 152 | K | 91.5 | Very high | 90.3 | Very high | 128 Ų | 128 | 48.5 Ų | 48.5 | 56% | 0.557 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -54.7 | -44.3 | 177 | -71.3 | -179 | 178.4 | -173.9 | 0 | 112.4 | L148 S154 V155 T156 | L148-K152 WeakPolarHBondContact O-CG 2.86Å; L148-K152 PolarHBondContact O-N 2.89Å; K152-S154 VanDerWaalsContact C-N 3.31Å; K152-S154 PolarHBondContact O-N 2.9Å; K152-V155 PolarHBondContact O-N 2.81Å; K152-T156 PolarHBondContact O-N 2.81Å; K152-T156 PolarHBondContact O-OG1 2.87Å |
| 153 | N | 91.3 | Very high | 90.8 | Very high | 101 Ų | 101 | 51.1 Ų | 51.1 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 175.3 | -74.5 | -23.2 | 0 | 0 | 0 | 112.8 | A149 R150 F151 K157 | A149-N153 PolarHBondContact O-N 2.75Å; A149-N153 PolarHBondContact O-ND2 2.84Å; R150-N153 PolarHBondContact O-N 3.46Å; F151-N153 VanDerWaalsContact C-N 3.29Å; F151-N153 PolarHBondContact O-N 2.89Å; N153-K157 WeakPolarHBondContact O-CG 3.33Å; N153-K157 PolarHBondContact O-N 2.68Å; N153-K157 VanDerWaalsContact O-N 3.08Å |
| 154 | S | 90.4 | Very high | 91.4 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.9 | -38 | 178.5 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | R150 F151 K152 K157 T158 | R150-S154 WeakPolarHBondContact O-CB 3.39Å; R150-S154 PolarHBondContact O-N 2.79Å; R150-S154 PolarHBondContact O-OG 2.94Å; F151-S154 CarbonylContact O-C 3.58Å; F151-S154 WeakPolarHBondContact O-CA 3.11Å; F151-S154 WeakPolarHBondContact O-CB 3.36Å; F151-S154 PolarHBondContact O-N 2.83Å; K152-S154 VanDerWaalsContact C-N 3.31Å; K152-S154 PolarHBondContact O-N 2.9Å; S154-K157 PolarHBondContact O-N 3.46Å; S154-T158 WeakPolarHBondContact O-CB 3.3Å; S154-T158 PolarHBondContact O-N 3.19Å; S154-T158 PolarHBondContact O-OG1 2.82Å |
| 155 | V | 93.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.2 | -54.3 | 172.1 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | F151 K152 K157 T158 M159 | F151-V155 HydrophobicContact CD1-CG2 4.27Å; F151-V155 HydrophobicContact CE1-CG2 3.81Å; F151-V155 HydrophobicContact CE2-CG2 4.08Å; F151-V155 HydrophobicContact CZ-CG2 3.72Å; F151-V155 WeakPolarHBondContact O-CG2 3.35Å; F151-V155 PolarHBondContact O-N 2.93Å; K152-V155 PolarHBondContact O-N 2.81Å; V155-K157 PolarHBondContact O-N 2.79Å; V155-T158 PolarHBondContact O-N 3.46Å; V155-M159 WeakPolarHBondContact O-CG 3.49Å; V155-M159 PolarHBondContact O-N 2.91Å |
| 156 | T | 94.3 | Very high | 92.3 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 46% | 0.46 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.9 | -44 | -179.5 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | K152 T158 M159 K160 | K152-T156 PolarHBondContact O-N 2.81Å; K152-T156 PolarHBondContact O-OG1 2.87Å; T156-T158 VanDerWaalsContact C-N 3.34Å; T156-T158 PolarHBondContact O-N 2.83Å; T156-M159 PolarHBondContact O-N 2.74Å; T156-K160 HydrophobicContact CG2-CD 4.43Å; T156-K160 WeakPolarHBondContact O-CG 3.34Å; T156-K160 PolarHBondContact O-N 3.27Å; T156-K160 VanDerWaalsContact O-N 3.13Å |
| 157 | K | 94.4 | Very high | 92.6 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 40% | 0.404 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 177.9 | -74.8 | 176.7 | 176.4 | -172.6 | 0 | 112.5 | Y30 N153 S154 V155 G161 | Y30-K157 WeakPolarHBondContact O-CD 3.37Å; N153-K157 WeakPolarHBondContact O-CG 3.33Å; N153-K157 PolarHBondContact O-N 2.68Å; N153-K157 VanDerWaalsContact O-N 3.08Å; S154-K157 PolarHBondContact O-N 3.46Å; V155-K157 PolarHBondContact O-N 2.79Å; K157-G161 PolarHBondContact O-N 2.78Å |
| 158 | T | 94.6 | Very high | 92.8 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 17% | 0.172 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | S154 V155 T156 G161 F162 | S154-T158 WeakPolarHBondContact O-CB 3.3Å; S154-T158 PolarHBondContact O-N 3.19Å; S154-T158 PolarHBondContact O-OG1 2.82Å; V155-T158 PolarHBondContact O-N 3.46Å; T156-T158 VanDerWaalsContact C-N 3.34Å; T156-T158 PolarHBondContact O-N 2.83Å; T158-G161 PolarHBondContact O-N 3.14Å; T158-F162 HydrophobicContact CG2-CD2 3.83Å; T158-F162 HydrophobicContact CG2-CE2 3.86Å; T158-F162 WeakPolarHBondContact O-CD2 3.43Å; T158-F162 PolarHBondContact O-N 2.88Å |
| 159 | M | 95.7 | Very high | 92.9 | Very high | 26 Ų | 26 | 57 Ų | 57 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 177.3 | -62.7 | -56.8 | -61.5 | 0 | 0 | 111.5 | L10 L11 I126 V155 T156 G161 F162 E163 | L10-M159 WeakPolarHBondContact O-CE 3.46Å; L11-M159 HydrophobicContact CD2-CE 3.68Å; L11-M159 HydrophobicContact CG-CE 3.92Å; I126-M159 HydrophobicContact CD1-CE 4.42Å; I126-M159 HydrophobicContact CD1-SD 4.08Å; V155-M159 WeakPolarHBondContact O-CG 3.49Å; V155-M159 PolarHBondContact O-N 2.91Å; T156-M159 PolarHBondContact O-N 2.74Å; M159-G161 VanDerWaalsContact C-N 3.32Å; M159-G161 PolarHBondContact O-N 2.88Å; M159-F162 WeakPolarHBondContact O-CB 3.4Å; M159-F162 PolarHBondContact O-N 3.08Å; M159-E163 WeakPolarHBondContact O-CG 3.33Å; M159-E163 PolarHBondContact O-N 3.49Å |
| 160 | K | 95.6 | Very high | 92.9 | Very high | 92 Ų | 92 | 59 Ų | 59 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 176.7 | -68.9 | -175 | 177.7 | -167.3 | 0 | 113.2 | Y30 T156 Y164 | Y30-K160 HydrophobicContact CD1-CB 3.81Å; Y30-K160 HydrophobicContact CD1-CD 3.81Å; Y30-K160 HydrophobicContact CD1-CG 4.47Å; Y30-K160 HydrophobicContact CD2-CB 3.69Å; Y30-K160 HydrophobicContact CE1-CB 3.92Å; Y30-K160 HydrophobicContact CE1-CD 3.59Å; Y30-K160 HydrophobicContact CE1-CG 4.34Å; Y30-K160 HydrophobicContact CE2-CB 3.81Å; Y30-K160 HydrophobicContact CG-CB 3.68Å; T156-K160 HydrophobicContact CG2-CD 4.43Å; T156-K160 WeakPolarHBondContact O-CG 3.34Å; T156-K160 PolarHBondContact O-N 3.27Å; T156-K160 VanDerWaalsContact O-N 3.13Å; K160-Y164 WeakPolarHBondContact O-CB 3.3Å; K160-Y164 PolarHBondContact O-N 2.89Å |
| 161 | G | 95.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K157 T158 M159 V165 | K157-G161 PolarHBondContact O-N 2.78Å; T158-G161 PolarHBondContact O-N 3.14Å; M159-G161 VanDerWaalsContact C-N 3.32Å; M159-G161 PolarHBondContact O-N 2.88Å; G161-V165 WeakPolarHBondContact O-CG2 3.4Å; G161-V165 PolarHBondContact O-N 3.41Å; G161-V165 VanDerWaalsContact O-N 3.1Å |
| 162 | F | 95.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 173.6 | -92.7 | -69.9 | 0 | 0 | 0 | 112.1 | L11 V18 A21 F22 Y114 T158 M159 Y164 V165 L166 | L11-F162 HydrophobicContact CD1-CB 3.89Å; L11-F162 HydrophobicContact CD1-CD1 4.07Å; L11-F162 HydrophobicContact CD1-CD2 4.39Å; L11-F162 HydrophobicContact CD1-CG 3.9Å; L11-F162 HydrophobicContact CD2-CB 3.99Å; V18-F162 HydrophobicContact CG1-CD1 4.47Å; V18-F162 HydrophobicContact CG1-CE1 4.01Å; V18-F162 HydrophobicContact CG1-CZ 4.49Å; A21-F162 HydrophobicContact CB-CD1 4.11Å; A21-F162 HydrophobicContact CB-CE1 4.28Å; F22-F162 HydrophobicContact CB-CE1 3.94Å; F22-F162 HydrophobicContact CB-CZ 3.97Å; F22-F162 AromaticContact CD2-CZ 3.92Å; F22-F162 HydrophobicContact CD2-CZ 3.92Å; F22-F162 HydrophobicContact CG-CZ 4.46Å; Y114-F162 AromaticContact CE1-CE2 3.89Å; Y114-F162 HydrophobicContact CE1-CE2 3.89Å; Y114-F162 AromaticContact CE1-CZ 3.73Å; Y114-F162 HydrophobicContact CE1-CZ 3.73Å; T158-F162 HydrophobicContact CG2-CD2 3.83Å; T158-F162 HydrophobicContact CG2-CE2 3.86Å; T158-F162 WeakPolarHBondContact O-CD2 3.43Å; T158-F162 PolarHBondContact O-N 2.88Å; M159-F162 WeakPolarHBondContact O-CB 3.4Å; M159-F162 PolarHBondContact O-N 3.08Å; F162-Y164 VanDerWaalsContact C-N 3.27Å; F162-Y164 PolarHBondContact O-N 3.39Å; F162-V165 PolarHBondContact O-N 3.24Å; F162-V165 VanDerWaalsContact O-N 3.16Å; F162-L166 HydrophobicContact CB-CD1 4.32Å; F162-L166 HydrophobicContact CD1-CD1 4.5Å; F162-L166 WeakPolarHBondContact O-CB 3.47Å; F162-L166 WeakPolarHBondContact O-CD1 3.37Å; F162-L166 VanDerWaalsContact O-CG 3.26Å; F162-L166 WeakPolarHBondContact O-CG 3.37Å; F162-L166 PolarHBondContact O-N 2.84Å |
| 163 | E | 95 | Very high | 90.6 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -54.6 | -45.6 | 177.4 | -71.8 | 169.3 | 174.7 | 0 | 0 | 111.1 | L11 M159 V165 L166 S167 | L11-E163 HydrophobicContact CD2-CG 4.2Å; M159-E163 WeakPolarHBondContact O-CG 3.33Å; M159-E163 PolarHBondContact O-N 3.49Å; E163-V165 PolarHBondContact O-N 2.82Å; E163-L166 PolarHBondContact O-N 2.88Å; E163-S167 WeakPolarHBondContact O-CB 3.37Å; E163-S167 PolarHBondContact O-N 3.38Å; E163-S167 PolarHBondContact O-OG 3.19Å |
| 164 | Y | 94.4 | Very high | 89 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 176.4 | 173.8 | -94.8 | 0 | 0 | 0 | 113 | N28 P29 K160 F162 R168 P174 | N28-Y164 HydrophobicContact CB-CD1 3.84Å; N28-Y164 HydrophobicContact CB-CE1 4.24Å; P29-Y164 HydrophobicContact CG-CD2 4.2Å; P29-Y164 HydrophobicContact CG-CE1 4.35Å; P29-Y164 HydrophobicContact CG-CE2 3.85Å; K160-Y164 WeakPolarHBondContact O-CB 3.3Å; K160-Y164 PolarHBondContact O-N 2.89Å; F162-Y164 VanDerWaalsContact C-N 3.27Å; F162-Y164 PolarHBondContact O-N 3.39Å; Y164-R168 WeakPolarHBondContact O-CB 3.25Å; Y164-R168 PolarHBondContact O-N 2.81Å; Y164-R168 VanDerWaalsContact O-N 3.09Å; Y164-P174 HydrophobicContact CD2-CB 3.84Å; Y164-P174 HydrophobicContact CD2-CG 3.92Å; Y164-P174 HydrophobicContact CE2-CB 3.76Å; Y164-P174 HydrophobicContact CE2-CG 3.65Å |
| 165 | V | 94.9 | Very high | 87.2 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.9 | -38.2 | -178.6 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | A21 Q24 N28 G161 F162 E163 R168 M169 | A21-V165 HydrophobicContact CB-CG1 3.99Å; Q24-V165 HydrophobicContact CB-CG1 4.24Å; N28-V165 HydrophobicContact CB-CG2 4.49Å; G161-V165 WeakPolarHBondContact O-CG2 3.4Å; G161-V165 PolarHBondContact O-N 3.41Å; G161-V165 VanDerWaalsContact O-N 3.1Å; F162-V165 PolarHBondContact O-N 3.24Å; F162-V165 VanDerWaalsContact O-N 3.16Å; E163-V165 PolarHBondContact O-N 2.82Å; V165-R168 PolarHBondContact O-N 3.27Å; V165-M169 HydrophobicContact CG1-CG 4.37Å; V165-M169 HydrophobicContact CG1-SD 4.03Å; V165-M169 VanDerWaalsContact O-CG 3.27Å; V165-M169 WeakPolarHBondContact O-CG 3.49Å; V165-M169 PolarHBondContact O-N 2.77Å |
| 166 | L | 94.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 177.6 | -73 | 161.7 | 0 | 0 | 0 | 111.8 | L11 N13 Q17 V18 A21 F162 E163 R168 M169 Q170 | L11-L166 HydrophobicContact CD1-CD1 4.07Å; L11-L166 HydrophobicContact CD2-CD1 4.29Å; N13-L166 HydrophobicContact CB-CD1 4.14Å; N13-L166 HydrophobicContact CB-CD2 4.13Å; Q17-L166 HydrophobicContact CB-CD2 3.9Å; V18-L166 HydrophobicContact CG2-CD1 4.21Å; V18-L166 HydrophobicContact CG2-CD2 4.5Å; A21-L166 HydrophobicContact CB-CD2 3.64Å; A21-L166 HydrophobicContact CB-CG 3.86Å; F162-L166 HydrophobicContact CB-CD1 4.32Å; F162-L166 HydrophobicContact CD1-CD1 4.5Å; F162-L166 WeakPolarHBondContact O-CB 3.47Å; F162-L166 WeakPolarHBondContact O-CD1 3.37Å; F162-L166 VanDerWaalsContact O-CG 3.26Å; F162-L166 WeakPolarHBondContact O-CG 3.37Å; F162-L166 PolarHBondContact O-N 2.84Å; E163-L166 PolarHBondContact O-N 2.88Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 3.48Å; L166-M169 PolarHBondContact O-N 2.97Å; L166-Q170 WeakPolarHBondContact O-CG 3.43Å; L166-Q170 PolarHBondContact O-N 2.81Å; L166-Q170 VanDerWaalsContact O-N 3.1Å |
| 167 | S | 92.5 | Very high | 83.7 | Confident | 34 Ų | 34 | 69 Ų | 69 | 24% | 0.238 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 173.2 | -78.1 | 0 | 0 | 0 | 0 | 111.4 | E163 M169 Q170 G171 E172 | E163-S167 WeakPolarHBondContact O-CB 3.37Å; E163-S167 PolarHBondContact O-N 3.38Å; E163-S167 PolarHBondContact O-OG 3.19Å; S167-M169 VanDerWaalsContact C-N 3.33Å; S167-M169 PolarHBondContact O-N 2.8Å; S167-Q170 PolarHBondContact O-N 3.03Å; S167-Q170 VanDerWaalsContact O-N 3.1Å; S167-G171 PolarHBondContact O-N 2.73Å; S167-E172 WeakPolarHBondContact CB-OE2 3.19Å; S167-E172 WeakPolarHBondContact O-CB 3.34Å; S167-E172 PolarHBondContact O-N 3.23Å; S167-E172 VanDerWaalsContact O-N 3.1Å; S167-E172 PolarHBondContact OG-OE2 3.43Å |
| 168 | R | 90.9 | Very high | 81.6 | Confident | 159 Ų | 159 | 71.9 Ų | 71.9 | 60% | 0.6 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 176.7 | -176.8 | -176.8 | 177.7 | -170.9 | -0.5 | 112.3 | Y164 V165 L166 Q170 G171 P174 | Y164-R168 WeakPolarHBondContact O-CB 3.25Å; Y164-R168 PolarHBondContact O-N 2.81Å; Y164-R168 VanDerWaalsContact O-N 3.09Å; V165-R168 PolarHBondContact O-N 3.27Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 3.48Å; R168-Q170 PolarHBondContact O-N 2.8Å; R168-G171 PolarHBondContact O-N 2.88Å; R168-P174 HydrophobicContact CB-CG 4.4Å |
| 169 | M | 90.4 | Very high | 79.7 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 36% | 0.36 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -27.6 | 177.5 | -74.3 | 172.9 | 62 | 0 | 0 | 112.6 | I20 A21 V165 L166 S167 G171 | I20-M169 HydrophobicContact CB-CE 3.81Å; I20-M169 HydrophobicContact CG2-CE 3.37Å; I20-M169 HydrophobicContact CG2-SD 4.31Å; A21-M169 HydrophobicContact CB-SD 3.79Å; V165-M169 HydrophobicContact CG1-CG 4.37Å; V165-M169 HydrophobicContact CG1-SD 4.03Å; V165-M169 VanDerWaalsContact O-CG 3.27Å; V165-M169 WeakPolarHBondContact O-CG 3.49Å; V165-M169 PolarHBondContact O-N 2.77Å; L166-M169 PolarHBondContact O-N 2.97Å; S167-M169 VanDerWaalsContact C-N 3.33Å; S167-M169 PolarHBondContact O-N 2.8Å; M169-G171 PolarHBondContact O-N 2.87Å |
| 170 | Q | 88.8 | Confident | 78.1 | Confident | 92 Ų | 92 | 74.6 Ų | 74.6 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 0.6 | 177 | -68.6 | 175.5 | -13.3 | 0 | 0 | 113.3 | N13 L166 S167 R168 E172 | N13-Q170 PolarHBondContact ND2-NE2 3.39Å; L166-Q170 WeakPolarHBondContact O-CG 3.43Å; L166-Q170 PolarHBondContact O-N 2.81Å; L166-Q170 VanDerWaalsContact O-N 3.1Å; S167-Q170 PolarHBondContact O-N 3.03Å; S167-Q170 VanDerWaalsContact O-N 3.1Å; R168-Q170 PolarHBondContact O-N 2.8Å; Q170-E172 HydrophobicContact CB-CG 4.39Å; Q170-E172 PolarHBondContact O-N 2.92Å |
| 171 | G | 84.4 | Confident | 76.6 | Confident | 65 Ų | 65 | 72.1 Ų | 72.1 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 4.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S167 R168 M169 T173 | S167-G171 PolarHBondContact O-N 2.73Å; R168-G171 PolarHBondContact O-N 2.88Å; M169-G171 PolarHBondContact O-N 2.87Å; G171-T173 PolarHBondContact O-N 2.91Å |
| 172 | E | 77.5 | Confident | 75.2 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | trans | -69.6 | 122.6 | 168.2 | -59.2 | -177.5 | 161.1 | 0 | 0 | 107.5 | S167 Q170 P174 | S167-E172 WeakPolarHBondContact CB-OE2 3.19Å; S167-E172 WeakPolarHBondContact O-CB 3.34Å; S167-E172 PolarHBondContact O-N 3.23Å; S167-E172 VanDerWaalsContact O-N 3.1Å; S167-E172 PolarHBondContact OG-OE2 3.43Å; Q170-E172 HydrophobicContact CB-CG 4.39Å; Q170-E172 PolarHBondContact O-N 2.92Å; E172-P174 WeakPolarHBondContact O-CD 3.45Å | ||
| 173 | T | 59.5 | Low | 74.2 | Confident | 134 Ų | 134 | 79.3 Ų | 79.3 | 82% | 0.822 | 44% | 0.441 | S | S | * | . | trans | -70.1 | 114.5 | 168.7 | -48 | 0 | 0 | 0 | 0 | 105.7 | G171 S175 | G171-T173 PolarHBondContact O-N 2.91Å; T173-S175 PolarHBondContact O-N 3.43Å | ||
| 174 | P | 56.9 | Low | 73.1 | Confident | 38 Ų | 38 | 79.3 Ų | 79.3 | 25% | 0.247 | 44% | 0.441 | C | S | . | . | trans | -59.2 | 116.6 | 178.6 | -19.7 | 33.2 | 0 | 0 | 0 | 106.3 | Y164 R168 E172 R176 | Y164-P174 HydrophobicContact CD2-CB 3.84Å; Y164-P174 HydrophobicContact CD2-CG 3.92Å; Y164-P174 HydrophobicContact CE2-CB 3.76Å; Y164-P174 HydrophobicContact CE2-CG 3.65Å; R168-P174 HydrophobicContact CB-CG 4.4Å; E172-P174 WeakPolarHBondContact O-CD 3.45Å; P174-R176 VanDerWaalsContact C-N 3.34Å; P174-R176 PolarHBondContact O-N 3.41Å | ||
| 175 | S | 52.3 | Low | 72.1 | Confident | 109 Ų | 109 | 84.8 Ų | 84.8 | 76% | 0.762 | 46% | 0.462 | S | S | * | . | trans | -53.9 | 104.6 | 173.8 | 171.6 | 0 | 0 | 0 | 0 | 106.5 | T173 T177 | T173-S175 PolarHBondContact O-N 3.43Å; S175-T177 PolarHBondContact O-N 3.18Å | ||
| 176 | R | 56 | Low | 71.2 | Confident | 161 Ų | 161 | 87.3 Ų | 87.3 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | trans | -58.5 | 113.5 | 175.3 | -73.2 | 177.3 | 172.4 | -176.8 | -10.7 | 105 | P174 T181 E184 | P174-R176 VanDerWaalsContact C-N 3.34Å; P174-R176 PolarHBondContact O-N 3.41Å; R176-T181 HydrophobicContact CB-CG2 4.2Å; R176-E184 IonicContact CZ-OE2 3.29Å; R176-E184 IonicContact NH1-OE2 2.65Å; R176-E184 IonicContact NH2-OE2 3.74Å | ||
| 177 | T | 57.8 | Low | 70.6 | Confident | 69 Ų | 69 | 95.3 Ų | 95.3 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | trans | -59.5 | 146.8 | 174.8 | 55.2 | 0 | 0 | 0 | 0 | 108 | S175 A179 E180 T181 | S175-T177 PolarHBondContact O-N 3.18Å; T177-A179 PolarHBondContact O-N 3.27Å; T177-E180 PolarHBondContact N-OE2 2.92Å; T177-E180 WeakPolarHBondContact O-CA 3.47Å; T177-E180 WeakPolarHBondContact O-CB 3.37Å; T177-E180 PolarHBondContact O-N 3.35Å; T177-E180 WeakPolarHBondContact OG1-CG 3.4Å; T177-E180 PolarHBondContact OG1-OE2 3.37Å; T177-T181 PolarHBondContact O-N 2.92Å; T177-T181 PolarHBondContact O-OG1 2.88Å | ||
| 178 | L | 50.7 | Low | 70.2 | Confident | 155 Ų | 155 | 99.7 Ų | 99.7 | 81% | 0.812 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -49.6 | -36 | -179.1 | -76.1 | 162.2 | 0 | 0 | 0 | 112.2 | T181 A182 | L178-T181 WeakPolarHBondContact CA-OG1 3.49Å; L178-T181 PolarHBondContact O-OG1 2.85Å; L178-A182 WeakPolarHBondContact O-CB 3.49Å; L178-A182 PolarHBondContact O-N 3.04Å |
| 179 | A | 55.4 | Low | 69.8 | Low | 65 Ų | 65 | 96.7 Ų | 96.7 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T177 A182 T183 | T177-A179 PolarHBondContact O-N 3.27Å; A179-A182 PolarHBondContact O-N 3.38Å; A179-T183 WeakPolarHBondContact O-CB 3.47Å; A179-T183 PolarHBondContact O-N 2.82Å; A179-T183 PolarHBondContact O-OG1 2.89Å |
| 180 | E | 62.2 | Low | 69.7 | Low | 46 Ų | 46 | 96.2 Ų | 96.2 | 22% | 0.215 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -70.5 | -43.8 | 177.8 | -72.2 | 165 | 149.8 | 0 | 0 | 111.2 | Y30 T177 A182 T183 E184 | Y30-E180 PolarHBondContact OH-OE1 2.88Å; T177-E180 PolarHBondContact N-OE2 2.92Å; T177-E180 WeakPolarHBondContact O-CA 3.47Å; T177-E180 WeakPolarHBondContact O-CB 3.37Å; T177-E180 PolarHBondContact O-N 3.35Å; T177-E180 WeakPolarHBondContact OG1-CG 3.4Å; T177-E180 PolarHBondContact OG1-OE2 3.37Å; E180-A182 VanDerWaalsContact C-N 3.31Å; E180-A182 PolarHBondContact O-N 3.01Å; E180-T183 PolarHBondContact O-N 2.77Å; E180-E184 PolarHBondContact O-N 3.27Å |
| 181 | T | 63.2 | Low | 69.6 | Low | 40 Ų | 40 | 97.5 Ų | 97.5 | 25% | 0.245 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -61 | -39.4 | 171.2 | 21 | 0 | 0 | 0 | 0 | 112.5 | R176 T177 L178 T183 R185 | R176-T181 HydrophobicContact CB-CG2 4.2Å; T177-T181 PolarHBondContact O-N 2.92Å; T177-T181 PolarHBondContact O-OG1 2.88Å; L178-T181 WeakPolarHBondContact CA-OG1 3.49Å; L178-T181 PolarHBondContact O-OG1 2.85Å; T181-T183 VanDerWaalsContact C-N 3.34Å; T181-R185 WeakPolarHBondContact O-CB 3.48Å; T181-R185 VanDerWaalsContact O-CG 3.31Å; T181-R185 WeakPolarHBondContact O-CG 3.36Å; T181-R185 PolarHBondContact O-N 2.82Å |
| 182 | A | 65.6 | Low | 69.8 | Low | 58 Ų | 58 | 96.9 Ų | 96.9 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L178 A179 E180 A186 | L178-A182 WeakPolarHBondContact O-CB 3.49Å; L178-A182 PolarHBondContact O-N 3.04Å; A179-A182 PolarHBondContact O-N 3.38Å; E180-A182 VanDerWaalsContact C-N 3.31Å; E180-A182 PolarHBondContact O-N 3.01Å; A182-A186 VanDerWaalsContact O-CB 3.26Å; A182-A186 WeakPolarHBondContact O-CB 3.35Å; A182-A186 PolarHBondContact O-N 3Å |
| 183 | T | 74.6 | Confident | 70.4 | Confident | 95 Ų | 95 | 94.6 Ų | 94.6 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.2 | -41.8 | 179.9 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | A179 E180 T181 A186 R187 | A179-T183 WeakPolarHBondContact O-CB 3.47Å; A179-T183 PolarHBondContact O-N 2.82Å; A179-T183 PolarHBondContact O-OG1 2.89Å; E180-T183 PolarHBondContact O-N 2.77Å; T181-T183 VanDerWaalsContact C-N 3.34Å; T183-A186 PolarHBondContact O-N 3.37Å; T183-R187 WeakPolarHBondContact O-CB 3.32Å; T183-R187 PolarHBondContact O-N 3.46Å |
| 184 | E | 71.6 | Confident | 71.9 | Confident | 98 Ų | 98 | 96 Ų | 96 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 172.7 | -88 | -142.3 | 141.7 | 0 | 0 | 112 | R176 E180 A186 R187 E188 | R176-E184 IonicContact CZ-OE2 3.29Å; R176-E184 IonicContact NH1-OE2 2.65Å; R176-E184 IonicContact NH2-OE2 3.74Å; E180-E184 PolarHBondContact O-N 3.27Å; E184-A186 VanDerWaalsContact C-N 3.27Å; E184-A186 PolarHBondContact O-N 2.96Å; E184-R187 CarbonylContact O-C 3.56Å; E184-R187 WeakPolarHBondContact O-CA 3.47Å; E184-R187 WeakPolarHBondContact O-CB 3.37Å; E184-R187 PolarHBondContact O-N 2.82Å; E184-E188 PolarHBondContact O-N 3.27Å |
| 185 | R | 73.2 | Confident | 73.4 | Confident | 174 Ų | 174 | 99.7 Ų | 99.7 | 66% | 0.657 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.6 | -41.8 | 176.9 | -77.6 | -178.1 | -177.7 | -174.8 | 2.2 | 111.9 | T181 R187 E188 T189 | T181-R185 WeakPolarHBondContact O-CB 3.48Å; T181-R185 VanDerWaalsContact O-CG 3.31Å; T181-R185 WeakPolarHBondContact O-CG 3.36Å; T181-R185 PolarHBondContact O-N 2.82Å; R185-R187 VanDerWaalsContact C-N 3.28Å; R185-R187 PolarHBondContact O-N 3.32Å; R185-E188 PolarHBondContact O-N 2.91Å; R185-T189 VanDerWaalsContact O-CB 3.3Å; R185-T189 WeakPolarHBondContact O-CB 3.22Å; R185-T189 PolarHBondContact O-N 3.47Å; R185-T189 PolarHBondContact O-OG1 2.98Å |
| 186 | A | 77.3 | Confident | 75.2 | Confident | 59 Ų | 59 | 101.5 Ų | 101.5 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A182 T183 E184 A190 | A182-A186 VanDerWaalsContact O-CB 3.26Å; A182-A186 WeakPolarHBondContact O-CB 3.35Å; A182-A186 PolarHBondContact O-N 3Å; T183-A186 PolarHBondContact O-N 3.37Å; E184-A186 VanDerWaalsContact C-N 3.27Å; E184-A186 PolarHBondContact O-N 2.96Å; A186-A190 VanDerWaalsContact O-CB 3.3Å; A186-A190 WeakPolarHBondContact O-CB 3.42Å; A186-A190 PolarHBondContact O-N 3.01Å |
| 187 | R | 80.8 | Confident | 76.7 | Confident | 170 Ų | 170 | 96.6 Ų | 96.6 | 64% | 0.642 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.5 | -44.3 | 178.6 | -147.8 | 177.8 | -167.1 | 172.3 | 1.2 | 112.1 | T183 E184 R185 A190 L191 | T183-R187 WeakPolarHBondContact O-CB 3.32Å; T183-R187 PolarHBondContact O-N 3.46Å; E184-R187 CarbonylContact O-C 3.56Å; E184-R187 WeakPolarHBondContact O-CA 3.47Å; E184-R187 WeakPolarHBondContact O-CB 3.37Å; E184-R187 PolarHBondContact O-N 2.82Å; R185-R187 VanDerWaalsContact C-N 3.28Å; R185-R187 PolarHBondContact O-N 3.32Å; R187-A190 PolarHBondContact O-N 3.14Å; R187-L191 PolarHBondContact O-N 3.32Å |
| 188 | E | 84.6 | Confident | 78.2 | Confident | 127 Ų | 127 | 100.4 Ų | 100.4 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -45.2 | 174.3 | -72.2 | 179.6 | 159.9 | 0 | 0 | 111.3 | E184 R185 A190 L191 A192 | E184-E188 PolarHBondContact O-N 3.27Å; R185-E188 PolarHBondContact O-N 2.91Å; E188-A190 VanDerWaalsContact C-N 3.33Å; E188-A190 PolarHBondContact O-N 2.81Å; E188-L191 PolarHBondContact O-N 3.24Å; E188-L191 VanDerWaalsContact O-N 3.16Å; E188-A192 WeakPolarHBondContact O-CB 3.3Å; E188-A192 PolarHBondContact O-N 2.67Å |
| 189 | T | 83.7 | Confident | 79.9 | Confident | 96 Ų | 96 | 97 Ų | 97 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63 | -40.7 | 178.1 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | R185 L191 A192 A193 | R185-T189 VanDerWaalsContact O-CB 3.3Å; R185-T189 WeakPolarHBondContact O-CB 3.22Å; R185-T189 PolarHBondContact O-N 3.47Å; R185-T189 PolarHBondContact O-OG1 2.98Å; T189-L191 VanDerWaalsContact C-N 3.35Å; T189-A192 PolarHBondContact O-N 3.29Å; T189-A193 WeakPolarHBondContact O-CB 3.29Å; T189-A193 PolarHBondContact O-N 2.85Å |
| 190 | A | 87.1 | Confident | 81.3 | Confident | 62 Ų | 62 | 99.8 Ų | 99.8 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A186 R187 E188 K194 | A186-A190 VanDerWaalsContact O-CB 3.3Å; A186-A190 WeakPolarHBondContact O-CB 3.42Å; A186-A190 PolarHBondContact O-N 3.01Å; R187-A190 PolarHBondContact O-N 3.14Å; E188-A190 VanDerWaalsContact C-N 3.33Å; E188-A190 PolarHBondContact O-N 2.81Å; A190-K194 WeakPolarHBondContact O-CB 3.34Å; A190-K194 PolarHBondContact O-N 2.92Å; A190-K194 VanDerWaalsContact O-N 3.08Å |
| 191 | L | 87.3 | Confident | 82.2 | Confident | 119 Ų | 119 | 100.1 Ų | 100.1 | 62% | 0.623 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67 | -46 | 176.4 | -133.4 | 108.5 | 0 | 0 | 0 | 111.3 | R187 E188 T189 A193 K194 E195 | R187-L191 PolarHBondContact O-N 3.32Å; E188-L191 PolarHBondContact O-N 3.24Å; E188-L191 VanDerWaalsContact O-N 3.16Å; T189-L191 VanDerWaalsContact C-N 3.35Å; L191-A193 VanDerWaalsContact C-N 3.35Å; L191-A193 PolarHBondContact O-N 3.21Å; L191-K194 WeakPolarHBondContact O-CB 3.34Å; L191-K194 PolarHBondContact O-N 3.04Å; L191-E195 PolarHBondContact O-N 3.11Å |
| 192 | A | 88.4 | Confident | 83 | Confident | 53 Ų | 53 | 100.4 Ų | 100.4 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E188 T189 K194 E195 K196 | E188-A192 WeakPolarHBondContact O-CB 3.3Å; E188-A192 PolarHBondContact O-N 2.67Å; T189-A192 PolarHBondContact O-N 3.29Å; A192-K194 VanDerWaalsContact C-N 3.33Å; A192-E195 PolarHBondContact O-N 3.47Å; A192-K196 PolarHBondContact O-N 3.42Å |
| 193 | A | 89.4 | Confident | 83.5 | Confident | 58 Ų | 58 | 103.5 Ų | 103.5 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T189 L191 A197 | T189-A193 WeakPolarHBondContact O-CB 3.29Å; T189-A193 PolarHBondContact O-N 2.85Å; L191-A193 VanDerWaalsContact C-N 3.35Å; L191-A193 PolarHBondContact O-N 3.21Å; A193-A197 WeakPolarHBondContact O-CB 3.42Å; A193-A197 PolarHBondContact O-N 2.8Å |
| 194 | K | 90.9 | Very high | 83.4 | Confident | 164 Ų | 164 | 101.8 Ų | 101.8 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.1 | -41.2 | 177.6 | -171.2 | -179.2 | 177.3 | -175.3 | 0 | 112.3 | A190 L191 A192 A197 K198 | A190-K194 WeakPolarHBondContact O-CB 3.34Å; A190-K194 PolarHBondContact O-N 2.92Å; A190-K194 VanDerWaalsContact O-N 3.08Å; L191-K194 WeakPolarHBondContact O-CB 3.34Å; L191-K194 PolarHBondContact O-N 3.04Å; A192-K194 VanDerWaalsContact C-N 3.33Å; K194-A197 PolarHBondContact O-N 2.85Å; K194-K198 PolarHBondContact O-N 3.09Å; K194-K198 VanDerWaalsContact O-N 3.13Å |
| 195 | E | 89.3 | Confident | 83.1 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.7 | -52.4 | 173.4 | -76.1 | -95.3 | 120.3 | 0 | 0 | 110.9 | L191 A192 A197 K198 D199 | L191-E195 PolarHBondContact O-N 3.11Å; A192-E195 PolarHBondContact O-N 3.47Å; E195-A197 VanDerWaalsContact C-N 3.3Å; E195-A197 PolarHBondContact O-N 3.15Å; E195-K198 WeakPolarHBondContact O-CA 3.14Å; E195-K198 WeakPolarHBondContact O-CB 3.5Å; E195-K198 PolarHBondContact O-N 2.78Å; E195-D199 PolarHBondContact O-N 3.43Å |
| 196 | K | 90.2 | Very high | 82.6 | Confident | 148 Ų | 148 | 102.3 Ų | 102.3 | 64% | 0.643 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.3 | -40.5 | 177.4 | -79.9 | -174.8 | 175.4 | -177.7 | 0 | 113.3 | A192 K198 D199 L200 | A192-K196 PolarHBondContact O-N 3.42Å; K196-K198 VanDerWaalsContact C-N 3.31Å; K196-K198 PolarHBondContact O-N 2.88Å; K196-D199 PolarHBondContact O-N 3.41Å; K196-L200 WeakPolarHBondContact O-CB 3.48Å; K196-L200 WeakPolarHBondContact O-CG 3.4Å; K196-L200 PolarHBondContact O-N 2.91Å |
| 197 | A | 88 | Confident | 81.7 | Confident | 57 Ų | 57 | 108 Ų | 108 | 47% | 0.471 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.9 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A193 K194 E195 A201 | A193-A197 WeakPolarHBondContact O-CB 3.42Å; A193-A197 PolarHBondContact O-N 2.8Å; K194-A197 PolarHBondContact O-N 2.85Å; E195-A197 VanDerWaalsContact C-N 3.3Å; E195-A197 PolarHBondContact O-N 3.15Å; A197-A201 WeakPolarHBondContact O-CB 3.13Å; A197-A201 PolarHBondContact O-N 2.87Å |
| 198 | K | 89.1 | Confident | 80.3 | Confident | 149 Ų | 149 | 107.5 Ų | 107.5 | 65% | 0.648 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.8 | -41.5 | 176.4 | -168.5 | -176.6 | 175.7 | -167.6 | 0 | 111.5 | K194 E195 K196 A201 S202 | K194-K198 PolarHBondContact O-N 3.09Å; K194-K198 VanDerWaalsContact O-N 3.13Å; E195-K198 WeakPolarHBondContact O-CA 3.14Å; E195-K198 WeakPolarHBondContact O-CB 3.5Å; E195-K198 PolarHBondContact O-N 2.78Å; K196-K198 VanDerWaalsContact C-N 3.31Å; K196-K198 PolarHBondContact O-N 2.88Å; K198-A201 PolarHBondContact O-N 2.82Å; K198-S202 PolarHBondContact O-N 3.38Å |
| 199 | D | 85.8 | Confident | 78.7 | Confident | 84 Ų | 84 | 111.6 Ų | 111.6 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.8 | -46.3 | 176.9 | -67.2 | -22.7 | 0 | 0 | 0 | 111.5 | E195 K196 A201 S202 H203 | E195-D199 PolarHBondContact O-N 3.43Å; K196-D199 PolarHBondContact O-N 3.41Å; D199-A201 VanDerWaalsContact C-N 3.35Å; D199-A201 PolarHBondContact O-N 2.97Å; D199-S202 PolarHBondContact O-N 2.92Å; D199-S202 PolarHBondContact O-OG 3.24Å; D199-H203 PolarHBondContact O-CD2 3.28Å; D199-H203 VanDerWaalsContact O-CD2 3.28Å; D199-H203 PolarHBondContact O-N 2.68Å |
| 200 | L | 85.1 | Confident | 76.9 | Confident | 123 Ų | 123 | 116 Ų | 116 | 64% | 0.644 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.3 | -41.3 | 176.6 | -74.8 | 166.1 | 0 | 0 | 0 | 112.3 | K196 S202 H203 A204 | K196-L200 WeakPolarHBondContact O-CB 3.48Å; K196-L200 WeakPolarHBondContact O-CG 3.4Å; K196-L200 PolarHBondContact O-N 2.91Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-H203 PolarHBondContact O-N 2.85Å; L200-A204 WeakPolarHBondContact O-CB 3.32Å; L200-A204 PolarHBondContact O-N 2.9Å |
| 201 | A | 82 | Confident | 76.3 | Confident | 53 Ų | 53 | 118.8 Ų | 118.8 | 44% | 0.438 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.4 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A197 K198 D199 A204 Q205 | A197-A201 WeakPolarHBondContact O-CB 3.13Å; A197-A201 PolarHBondContact O-N 2.87Å; K198-A201 PolarHBondContact O-N 2.82Å; D199-A201 VanDerWaalsContact C-N 3.35Å; D199-A201 PolarHBondContact O-N 2.97Å; A201-A204 PolarHBondContact O-N 3.46Å; A201-Q205 PolarHBondContact O-N 3.47Å |
| 202 | S | 79.4 | Confident | 75.8 | Confident | 47 Ų | 47 | 118.7 Ų | 118.7 | 33% | 0.329 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.7 | -36.3 | 176.6 | 80.6 | 0 | 0 | 0 | 0 | 112.7 | K198 D199 L200 K206 | K198-S202 PolarHBondContact O-N 3.38Å; D199-S202 PolarHBondContact O-N 2.92Å; D199-S202 PolarHBondContact O-OG 3.24Å; L200-S202 VanDerWaalsContact C-N 3.34Å; S202-K206 PolarHBondContact O-N 3.19Å |
| 203 | H | 76.6 | Confident | 75.1 | Confident | 122 Ų | 122 | 122.4 Ų | 122.4 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.8 | -35 | 174.9 | -83.3 | -66 | 0 | 0 | 0 | 112.8 | D199 L200 K207 | D199-H203 PolarHBondContact O-CD2 3.28Å; D199-H203 VanDerWaalsContact O-CD2 3.28Å; D199-H203 PolarHBondContact O-N 2.68Å; L200-H203 PolarHBondContact O-N 2.85Å; H203-K207 PolarHBondContact O-N 3.35Å |
| 204 | A | 72 | Confident | 74.2 | Confident | 60 Ų | 60 | 126.2 Ų | 126.2 | 50% | 0.496 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.6 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L200 A201 K206 K207 Q208 | L200-A204 WeakPolarHBondContact O-CB 3.32Å; L200-A204 PolarHBondContact O-N 2.9Å; A201-A204 PolarHBondContact O-N 3.46Å; A204-K206 PolarHBondContact O-N 2.95Å; A204-K207 PolarHBondContact O-N 3.38Å; A204-Q208 PolarHBondContact O-N 3.38Å |
| 205 | Q | 65.4 | Low | 73.2 | Confident | 132 Ų | 132 | 123.8 Ų | 123.8 | 62% | 0.617 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.9 | -37.2 | 175.5 | -77.9 | -180 | -22.5 | 0 | 0 | 112.7 | A201 K207 Q208 Y209 | A201-Q205 PolarHBondContact O-N 3.47Å; Q205-K207 VanDerWaalsContact C-N 3.31Å; Q205-K207 PolarHBondContact O-N 3.02Å; Q205-Q208 PolarHBondContact O-N 3.17Å; Q205-Y209 WeakPolarHBondContact O-CD2 3.46Å |
| 206 | K | 62.3 | Low | 72.1 | Confident | 151 Ų | 151 | 124.4 Ų | 124.4 | 66% | 0.657 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.3 | -28.9 | 175.7 | -78.4 | 179.5 | 178.8 | 177.7 | 0 | 113.7 | S202 A204 Q208 | S202-K206 PolarHBondContact O-N 3.19Å; A204-K206 PolarHBondContact O-N 2.95Å; K206-Q208 VanDerWaalsContact C-N 3.3Å |
| 207 | K | 58.1 | Low | 70.8 | Confident | 178 Ų | 178 | 122.7 Ų | 122.7 | 77% | 0.774 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.9 | -12.5 | 176.7 | -80.3 | -173.4 | 175.1 | -175.2 | 0 | 113.9 | H203 A204 Q205 | H203-K207 PolarHBondContact O-N 3.35Å; A204-K207 PolarHBondContact O-N 3.38Å; Q205-K207 VanDerWaalsContact C-N 3.31Å; Q205-K207 PolarHBondContact O-N 3.02Å |
| 208 | Q | 51.3 | Low | 69.5 | Low | 159 Ų | 159 | 127.8 Ų | 127.8 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -3.6 | -176.6 | -143 | 169.8 | 0.4 | 0 | 0 | 113.2 | A204 Q205 K206 | A204-Q208 PolarHBondContact O-N 3.38Å; Q205-Q208 PolarHBondContact O-N 3.17Å; K206-Q208 VanDerWaalsContact C-N 3.3Å |
| 209 | Y | 50.5 | Low | 67.9 | Low | 214 Ų | 214 | 126 Ų | 126 | 84% | 0.839 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 21.7 | 179.6 | -75.3 | -86.1 | 0 | 0 | 0 | 113.3 | Q205 | Q205-Y209 WeakPolarHBondContact O-CD2 3.46Š|
| 210 | V | 45.8 | Very low | 66.2 | Low | 189 Ų | 189 | 129.8 Ų | 129.8 | 100% | 1.145 | 66% | 0.659 | S | S | * | * | trans | -117.5 | 0 | 171.1 | -175.5 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 210 of 210 residues in 90.7 ms
(Link to these results)