| 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 | 44.1 | Very low | 71.5 | Confident | 63 Ų | 63 | 33.5 Ų | 33.5 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | 0 | 31.7 | 0 | -55.4 | 178.9 | 171.1 | 0 | 0 | 114.9 | E52 Y172 T269 | M1-E52 PolarHBondContact N-OE2 3.32Å; M1-Y172 HydrophobicContact CB-CE1 3.96Å; M1-Y172 VanDerWaalsContact CB-OH 3.27Å; M1-Y172 WeakPolarHBondContact CB-OH 3.4Å; M1-Y172 VanDerWaalsContact CG-OH 3.27Å; M1-Y172 WeakPolarHBondContact CG-OH 3.35Å; M1-Y172 HydrophobicContact SD-CE1 4.15Å; M1-Y172 PolarHBondContact SD-OH 2.83Å; M1-Y172 VanDerWaalsContact SD-OH 3.39Å; M1-T269 HydrophobicContact CE-CG2 3.9Å; M1-T269 HydrophobicContact SD-CG2 4.08Å | |||
| 2 | S | 42.4 | Very low | 73.6 | Confident | 23 Ų | 23 | 30.8 Ų | 30.8 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | trans | -89.1 | 110.6 | 176.3 | 43.3 | 0 | 0 | 0 | 0 | 113.1 | G4 V5 I54 L171 | S2-G4 PolarHBondContact O-N 2.97Å; S2-V5 PolarHBondContact OG-O 3.48Å; S2-I54 WeakPolarHBondContact OG-CD1 3.48Å; S2-L171 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 3 | Q | 52.2 | Low | 75.4 | Confident | 40 Ų | 40 | 28.5 Ų | 28.5 | 19% | 0.187 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -82.9 | 103.4 | 165.6 | -50.2 | 163.5 | -17.3 | 0 | 0 | 107.7 | R272 Y276 M458 | Q3-R272 PolarHBondContact NE2-O 3.41Å; Q3-R272 PolarHBondContact O-NH1 3.39Å; Q3-Y276 PolarHBondContact OE1-O 3.09Å; Q3-Y276 VanDerWaalsContact OE1-O 3.09Å; Q3-M458 HydrophobicContact CG-CG 4.15Å; Q3-M458 HydrophobicContact CG-SD 4.38Å; Q3-M458 VanDerWaalsContact NE2-CE 3.29Å; Q3-M458 PolarHBondContact NE2-SD 3.2Å; Q3-M458 VanDerWaalsContact NE2-SD 3.43Å |
| 4 | G | 53.5 | Low | 76.7 | Confident | 66 Ų | 66 | 26.8 Ų | 26.8 | 68% | 0.68 | 19% | 0.186 | S | C | * | . | S | Bend | trans | 124.7 | -21.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116 | S2 | S2-G4 PolarHBondContact O-N 2.97Š|
| 5 | V | 60.8 | Low | 77.9 | Confident | 32 Ų | 32 | 28.3 Ų | 28.3 | 19% | 0.194 | 19% | 0.189 | C | C | . | . | trans | -97.3 | 99.7 | -178.8 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | S2 A7 V8 V170 | S2-V5 PolarHBondContact OG-O 3.48Å; V5-A7 VanDerWaalsContact C-N 3.26Å; V5-A7 WeakPolarHBondContact CG1-O 3.33Å; V5-A7 PolarHBondContact O-N 2.68Å; V5-V8 HydrophobicContact CG1-CG2 3.92Å; V5-V170 HydrophobicContact CG1-CG1 4.35Å; V5-V170 HydrophobicContact CG2-CG1 4.3Å | ||
| 6 | S | 71.1 | Confident | 78.6 | Confident | 111 Ų | 111 | 31 Ų | 31 | 78% | 0.776 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -69.9 | -23.7 | -179.1 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 7 | A | 85.2 | Confident | 79.3 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -155.7 | 147.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | V5 P55 N79 | V5-A7 VanDerWaalsContact C-N 3.26Å; V5-A7 WeakPolarHBondContact CG1-O 3.33Å; V5-A7 PolarHBondContact O-N 2.68Å; A7-P55 CarbonylContact C-O 3.52Å; A7-P55 WeakPolarHBondContact CA-O 3.38Å; A7-P55 HydrophobicContact CB-CB 4.26Å; A7-N79 PolarHBondContact O-OD1 3.47Å |
| 8 | V | 90.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.9 | 174.9 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | V5 I10 I54 P55 T56 Q57 V80 Q167 V170 L171 | V5-V8 HydrophobicContact CG1-CG2 3.92Å; V8-I10 HydrophobicContact CG1-CG1 4.08Å; V8-I54 HydrophobicContact CG2-CG2 4.12Å; V8-P55 PolarHBondContact N-O 3.25Å; V8-T56 HydrophobicContact CB-CG2 4.45Å; V8-T56 CarbonylContact O-C 3.57Å; V8-T56 WeakPolarHBondContact O-CA 3.47Å; V8-Q57 PolarHBondContact O-N 3.39Å; V8-V80 HydrophobicContact CG1-CG1 4.3Å; V8-Q167 HydrophobicContact CG2-CG 4.17Å; V8-V170 HydrophobicContact CG1-CB 4.35Å; V8-V170 HydrophobicContact CG1-CG2 3.98Å; V8-V170 HydrophobicContact CG2-CG1 4.35Å; V8-L171 HydrophobicContact CG2-CD2 4.15Å |
| 9 | R | 94.6 | Very high | 80.7 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 3% | 0.034 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 110.8 | 173.8 | -166.6 | -179.9 | -175.2 | 77 | 2.9 | 110.5 | E42 Q57 V59 E74 R77 N79 V80 | R9-E42 IonicContact CZ-OE1 2.82Å; R9-E42 IonicContact CZ-OE2 3.6Å; R9-E42 IonicContact NH1-OE1 2.73Å; R9-E42 PolarHBondContact NH1-OE1 3.05Å; R9-E42 IonicContact NH1-OE2 3.27Å; R9-E42 PolarHBondContact NH1-OE2 2.97Å; R9-E42 IonicContact NH2-OE1 2.79Å; R9-E42 IonicContact NH2-OE2 3.91Å; R9-E42 PolarHBondContact NH2-OE2 3.11Å; R9-Q57 CarbonylContact C-O 3.58Å; R9-Q57 WeakPolarHBondContact CA-O 3.43Å; R9-Q57 HydrophobicContact CB-CB 4.48Å; R9-Q57 HydrophobicContact CG-CB 4.29Å; R9-V59 HydrophobicContact CG-CG2 3.85Å; R9-V59 VanDerWaalsContact NH2-CG2 3.32Å; R9-E74 IonicContact CZ-OE2 3.99Å; R9-E74 IonicContact NE-OE2 2.75Å; R9-E74 PolarHBondContact NE-OE2 3.26Å; R9-E74 IonicContact NH2-OE1 2.51Å; R9-E74 IonicContact NH2-OE2 4Å; R9-E74 PolarHBondContact NH2-OE2 3.5Å; R9-R77 WeakPolarHBondContact CD-O 3.34Å; R9-N79 PolarHBondContact N-OD1 2.9Å; R9-N79 PolarHBondContact O-N 3.3Å; R9-V80 PolarHBondContact O-N 3.37Å |
| 10 | I | 95.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.6 | 176.1 | -52.3 | -178.9 | 0 | 0 | 0 | 108.4 | V8 L12 T56 Q57 I58 V59 V80 C82 F163 A166 | V8-I10 HydrophobicContact CG1-CG1 4.08Å; I10-L12 HydrophobicContact CG2-CD1 4.2Å; I10-T56 HydrophobicContact CD1-CG2 3.42Å; I10-T56 VanDerWaalsContact CD1-CG2 3.42Å; I10-T56 HydrophobicContact CG1-CG2 3.87Å; I10-Q57 PolarHBondContact N-O 2.98Å; I10-I58 HydrophobicContact CD1-CG1 4.47Å; I10-V59 PolarHBondContact O-N 3.48Å; I10-V80 HydrophobicContact CB-CG1 4.1Å; I10-V80 HydrophobicContact CG1-CG1 3.68Å; I10-V80 HydrophobicContact CG2-CG1 4.18Å; I10-C82 HydrophobicContact CG2-CB 4.44Å; I10-C82 VanDerWaalsContact CG2-SG 3.6Å; I10-F163 HydrophobicContact CD1-CB 4.37Å; I10-F163 HydrophobicContact CD1-CD1 4.02Å; I10-F163 HydrophobicContact CG2-CD1 4.47Å; I10-A166 HydrophobicContact CD1-CB 3.97Å; I10-A166 HydrophobicContact CG1-CB 4.42Å; I10-A166 HydrophobicContact CG2-CB 4.25Å |
| 11 | L | 96.7 | Very high | 81.9 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.7 | 175.5 | 178 | 64.4 | 0 | 0 | 0 | 110.7 | L13 V59 E74 I75 A78 V80 I81 C82 | L11-L13 HydrophobicContact CD1-CD2 4.25Å; L11-L13 HydrophobicContact CD2-CD1 4.1Å; L11-L13 HydrophobicContact CD2-CD2 3.85Å; L11-L13 HydrophobicContact CD2-CG 3.96Å; L11-L13 HydrophobicContact CG-CD2 3.86Å; L11-L13 HydrophobicContact CG-CG 3.96Å; L11-V59 HydrophobicContact CD1-CB 3.97Å; L11-V59 HydrophobicContact CD1-CG1 3.85Å; L11-E74 HydrophobicContact CD1-CB 3.95Å; L11-E74 HydrophobicContact CD2-CB 3.94Å; L11-I75 HydrophobicContact CD2-CG1 4.04Å; L11-A78 HydrophobicContact CB-CB 3.75Å; L11-A78 HydrophobicContact CD2-CB 4.19Å; L11-V80 PolarHBondContact N-O 3.2Å; L11-I81 HydrophobicContact CB-CG1 4.43Å; L11-I81 HydrophobicContact CD2-CG1 4.49Å; L11-I81 CarbonylContact O-C 3.52Å; L11-I81 WeakPolarHBondContact O-CA 3.36Å; L11-C82 PolarHBondContact O-N 2.93Å |
| 12 | L | 96.9 | Very high | 84.3 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.3 | 174.6 | -77.3 | 77.6 | 0 | 0 | 0 | 110.3 | I10 K20 L23 I24 I58 V59 Y61 C82 V84 F163 | I10-L12 HydrophobicContact CG2-CD1 4.2Å; L12-K20 HydrophobicContact CB-CB 4.29Å; L12-K20 HydrophobicContact CB-CD 4.37Å; L12-K20 HydrophobicContact CB-CG 4.46Å; L12-K20 HydrophobicContact CD2-CB 4.28Å; L12-L23 HydrophobicContact CD2-CB 4.35Å; L12-L23 HydrophobicContact CD2-CD1 4.33Å; L12-I24 HydrophobicContact CD1-CD1 4.16Å; L12-I24 HydrophobicContact CD1-CG1 4.28Å; L12-I24 HydrophobicContact CD2-CD1 4Å; L12-I24 HydrophobicContact CD2-CG1 3.79Å; L12-I58 HydrophobicContact CD1-CG2 3.52Å; L12-V59 PolarHBondContact N-O 3.35Å; L12-Y61 PolarHBondContact O-N 3.45Å; L12-C82 WeakPolarHBondContact CA-O 3.33Å; L12-C82 HydrophobicContact CG-CB 4.13Å; L12-V84 HydrophobicContact CD2-CG2 4.2Å; L12-V84 HydrophobicContact CG-CG2 4.42Å; L12-F163 HydrophobicContact CD1-CE1 4.14Å |
| 13 | L | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 164.4 | 177.2 | -64.2 | -172.3 | 0 | 0 | 0 | 110.8 | L11 Y61 L71 I75 I81 C82 L83 V84 W100 I104 | L11-L13 HydrophobicContact CD1-CD2 4.25Å; L11-L13 HydrophobicContact CD2-CD1 4.1Å; L11-L13 HydrophobicContact CD2-CD2 3.85Å; L11-L13 HydrophobicContact CD2-CG 3.96Å; L11-L13 HydrophobicContact CG-CD2 3.86Å; L11-L13 HydrophobicContact CG-CG 3.96Å; L13-Y61 HydrophobicContact CD2-CD1 3.86Å; L13-Y61 HydrophobicContact CD2-CG 3.86Å; L13-L71 HydrophobicContact CD1-CD1 4.21Å; L13-L71 HydrophobicContact CD2-CD1 3.45Å; L13-L71 VanDerWaalsContact CD2-CD1 3.45Å; L13-L71 HydrophobicContact CG-CD1 4.5Å; L13-I75 HydrophobicContact CD1-CD1 4.17Å; L13-I75 HydrophobicContact CD1-CG1 3.95Å; L13-I81 HydrophobicContact CB-CG2 4.17Å; L13-I81 HydrophobicContact CD1-CD1 4.42Å; L13-I81 HydrophobicContact CD1-CG2 3.76Å; L13-I81 HydrophobicContact CG-CG2 3.93Å; L13-C82 PolarHBondContact N-O 3.18Å; L13-L83 HydrophobicContact CB-CD2 3.69Å; L13-V84 PolarHBondContact O-N 3.42Å; L13-W100 HydrophobicContact CB-CE3 4.17Å; L13-W100 HydrophobicContact CB-CZ3 4.19Å; L13-W100 HydrophobicContact CD1-CE3 4.3Å; L13-W100 HydrophobicContact CD1-CZ3 4.37Å; L13-W100 HydrophobicContact CD2-CZ3 4.39Å; L13-I104 HydrophobicContact CD1-CD1 4.28Å; L13-I104 HydrophobicContact CD1-CG1 4.37Å |
| 14 | G | 93.9 | Very high | 88.6 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | trans | 137.1 | 173.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K20 V84 W100 | G14-K20 PolarHBondContact O-NZ 3.29Å; G14-V84 WeakPolarHBondContact CA-O 3.41Å; G14-W100 VanDerWaalsContact C-CZ2 3.47Å; G14-W100 WeakPolarHBondContact O-CZ2 3.12Å | ||
| 15 | E | 94.4 | Very high | 90.4 | Very high | 49 Ų | 49 | 31.3 Ų | 31.3 | 23% | 0.229 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -59.7 | 159.5 | -174.9 | -71.8 | -55.4 | 105.3 | 0 | 0 | 113.6 | V18 K20 Q95 W100 | E15-V18 HydrophobicContact CB-CG1 3.8Å; E15-V18 WeakPolarHBondContact O-CG1 3.32Å; E15-V18 WeakPolarHBondContact O-CG2 3.28Å; E15-K20 PolarHBondContact O-NZ 3.12Å; E15-Q95 HydrophobicContact CG-CB 3.93Å; E15-Q95 HydrophobicContact CG-CG 3.98Å; E15-W100 PolarHBondContact OE1-NE1 3.49Å |
| 16 | P | 90.4 | Very high | 91.9 | Very high | 72 Ų | 72 | 29.9 Ų | 29.9 | 47% | 0.468 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 143.3 | 170.5 | -23.3 | 34.3 | 0 | 0 | 0 | 111.6 | V18 | P16-V18 VanDerWaalsContact C-N 3.27Å; P16-V18 PolarHBondContact O-N 3.49Å |
| 17 | R | 89.8 | Confident | 92.8 | Very high | 227 Ų | 227 | 26.3 Ų | 26.3 | 86% | 0.857 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 13 | 175.3 | -51.3 | 177.6 | 178 | 169.4 | -0.5 | 116.7 | G19 | R17-G19 VanDerWaalsContact C-N 3.25Å; R17-G19 PolarHBondContact O-N 2.95Å |
| 18 | V | 93.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -74.4 | -14.3 | 171.5 | -58.1 | 0 | 0 | 0 | 0 | 113.9 | E15 P16 K20 V84 A86 N122 | E15-V18 HydrophobicContact CB-CG1 3.8Å; E15-V18 WeakPolarHBondContact O-CG1 3.32Å; E15-V18 WeakPolarHBondContact O-CG2 3.28Å; P16-V18 VanDerWaalsContact C-N 3.27Å; P16-V18 PolarHBondContact O-N 3.49Å; V18-K20 HydrophobicContact CG2-CD 4.36Å; V18-K20 HydrophobicContact CG2-CG 3.69Å; V18-V84 HydrophobicContact CB-CG1 4.28Å; V18-V84 HydrophobicContact CG2-CB 3.92Å; V18-V84 HydrophobicContact CG2-CG1 3.82Å; V18-V84 WeakPolarHBondContact CG2-O 3.24Å; V18-A86 HydrophobicContact CB-CB 4.28Å; V18-A86 HydrophobicContact CG1-CB 4.31Å; V18-N122 PolarHBondContact O-ND2 3.47Å |
| 19 | G | 92.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 13% | 0.134 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 100.4 | 23.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R17 T22 L23 | R17-G19 VanDerWaalsContact C-N 3.25Å; R17-G19 PolarHBondContact O-N 2.95Å; G19-T22 WeakPolarHBondContact O-CB 3.42Å; G19-T22 PolarHBondContact O-N 3.43Å; G19-L23 WeakPolarHBondContact O-CG 3.47Å; G19-L23 PolarHBondContact O-N 2.66Å |
| 20 | K | 93.6 | Very high | 92.2 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.6 | -60 | 175.7 | -58.1 | -174.2 | -64.7 | -78.1 | 0 | 112.8 | L12 G14 E15 V18 T22 L23 I24 D60 Y61 V84 | L12-K20 HydrophobicContact CB-CB 4.29Å; L12-K20 HydrophobicContact CB-CD 4.37Å; L12-K20 HydrophobicContact CB-CG 4.46Å; L12-K20 HydrophobicContact CD2-CB 4.28Å; G14-K20 PolarHBondContact O-NZ 3.29Å; E15-K20 PolarHBondContact O-NZ 3.12Å; V18-K20 HydrophobicContact CG2-CD 4.36Å; V18-K20 HydrophobicContact CG2-CG 3.69Å; K20-T22 PolarHBondContact O-N 2.72Å; K20-L23 WeakPolarHBondContact O-CB 3.46Å; K20-L23 PolarHBondContact O-N 2.73Å; K20-L23 VanDerWaalsContact O-N 3.09Å; K20-I24 WeakPolarHBondContact O-CG1 3.5Å; K20-I24 PolarHBondContact O-N 3.08Å; K20-D60 WeakPolarHBondContact CB-OD1 3.33Å; K20-Y61 WeakPolarHBondContact CE-O 3.23Å; K20-V84 HydrophobicContact CG-CB 3.96Å; K20-V84 HydrophobicContact CG-CG1 4.48Å; K20-V84 HydrophobicContact CG-CG2 4.01Å |
| 21 | T | 93.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.3 | -37.2 | 176.6 | -43.1 | 0 | 0 | 0 | 0 | 112 | I24 L25 V36 P37 A40 D60 | T21-I24 PolarHBondContact O-N 3.27Å; T21-L25 HydrophobicContact CG2-CD1 4.03Å; T21-L25 HydrophobicContact CG2-CG 4.44Å; T21-L25 WeakPolarHBondContact O-CB 3.37Å; T21-L25 WeakPolarHBondContact O-CG 3.23Å; T21-L25 PolarHBondContact O-N 3.13Å; T21-V36 HydrophobicContact CG2-CG1 3.59Å; T21-P37 HydrophobicContact CG2-CG 4.04Å; T21-A40 HydrophobicContact CG2-CB 3.82Å; T21-D60 WeakPolarHBondContact CA-OD2 3.4Å; T21-D60 WeakPolarHBondContact CB-OD2 3.02Å; T21-D60 PolarHBondContact OG1-OD2 3.31Å |
| 22 | T | 93.6 | Very high | 91.4 | Very high | 23 Ų | 23 | 51 Ų | 51 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 177 | -46.7 | 0 | 0 | 0 | 0 | 111.6 | G19 K20 I24 S26 F32 A153 | G19-T22 WeakPolarHBondContact O-CB 3.42Å; G19-T22 PolarHBondContact O-N 3.43Å; K20-T22 PolarHBondContact O-N 2.72Å; T22-I24 VanDerWaalsContact C-N 3.31Å; T22-I24 PolarHBondContact O-N 2.9Å; T22-S26 WeakPolarHBondContact O-CB 3.46Å; T22-S26 PolarHBondContact O-N 3.36Å; T22-S26 PolarHBondContact O-OG 3.14Å; T22-F32 HydrophobicContact CG2-CD2 3.97Å; T22-F32 HydrophobicContact CG2-CE2 3.73Å; T22-A153 HydrophobicContact CG2-CB 3.77Å |
| 23 | L | 93.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 175.8 | -72.1 | 165.1 | 0 | 0 | 0 | 111 | L12 G19 K20 L27 V84 V120 A153 L159 | L12-L23 HydrophobicContact CD2-CB 4.35Å; L12-L23 HydrophobicContact CD2-CD1 4.33Å; G19-L23 WeakPolarHBondContact O-CG 3.47Å; G19-L23 PolarHBondContact O-N 2.66Å; K20-L23 WeakPolarHBondContact O-CB 3.46Å; K20-L23 PolarHBondContact O-N 2.73Å; K20-L23 VanDerWaalsContact O-N 3.09Å; L23-L27 PolarHBondContact O-N 2.67Å; L23-L27 VanDerWaalsContact O-N 3.11Å; L23-V84 HydrophobicContact CD1-CG1 3.77Å; L23-V84 HydrophobicContact CD1-CG2 3.93Å; L23-V120 HydrophobicContact CD1-CG1 4.25Å; L23-A153 HydrophobicContact CD2-CB 3.76Å; L23-A153 HydrophobicContact CG-CB 4.15Å; L23-L159 HydrophobicContact CB-CD1 4.11Å; L23-L159 HydrophobicContact CD2-CD1 3.42Å; L23-L159 VanDerWaalsContact CD2-CD1 3.42Å; L23-L159 HydrophobicContact CG-CD1 4.39Å |
| 24 | I | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -52.1 | -178.8 | -62.3 | 173 | 0 | 0 | 0 | 110.9 | L12 K20 T21 T22 S26 L27 V28 A40 I43 I58 D60 | L12-I24 HydrophobicContact CD1-CD1 4.16Å; L12-I24 HydrophobicContact CD1-CG1 4.28Å; L12-I24 HydrophobicContact CD2-CD1 4Å; L12-I24 HydrophobicContact CD2-CG1 3.79Å; K20-I24 WeakPolarHBondContact O-CG1 3.5Å; K20-I24 PolarHBondContact O-N 3.08Å; T21-I24 PolarHBondContact O-N 3.27Å; T22-I24 VanDerWaalsContact C-N 3.31Å; T22-I24 PolarHBondContact O-N 2.9Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.44Å; I24-L27 WeakPolarHBondContact O-CB 3.22Å; I24-L27 PolarHBondContact O-N 3.15Å; I24-V28 PolarHBondContact O-N 3.37Å; I24-A40 HydrophobicContact CB-CB 4.29Å; I24-A40 HydrophobicContact CD1-CB 4.28Å; I24-A40 HydrophobicContact CG2-CB 3.93Å; I24-I43 HydrophobicContact CG2-CD1 3.27Å; I24-I43 HydrophobicContact CG2-CG1 4.28Å; I24-I58 HydrophobicContact CD1-CG2 3.96Å; I24-I58 HydrophobicContact CG1-CG2 3.73Å; I24-I58 HydrophobicContact CG2-CG2 4.4Å; I24-D60 HydrophobicContact CD1-CB 3.47Å; I24-D60 VanDerWaalsContact CD1-CB 3.47Å |
| 25 | L | 91.8 | Very high | 89.8 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | -178.6 | -69.4 | 175.8 | 0 | 0 | 0 | 111.2 | T21 L27 V28 S29 V36 P37 | T21-L25 HydrophobicContact CG2-CD1 4.03Å; T21-L25 HydrophobicContact CG2-CG 4.44Å; T21-L25 WeakPolarHBondContact O-CB 3.37Å; T21-L25 WeakPolarHBondContact O-CG 3.23Å; T21-L25 PolarHBondContact O-N 3.13Å; L25-L27 PolarHBondContact O-N 3.47Å; L25-V28 PolarHBondContact O-N 2.93Å; L25-V28 VanDerWaalsContact O-N 3.09Å; L25-S29 PolarHBondContact O-N 3.03Å; L25-S29 PolarHBondContact O-OG 3.43Å; L25-V36 HydrophobicContact CD1-CG1 4.28Å; L25-P37 HydrophobicContact CD1-CG 4.04Å |
| 26 | S | 91.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.4 | -31.9 | 179.6 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | T22 I24 E30 A153 M156 | T22-S26 WeakPolarHBondContact O-CB 3.46Å; T22-S26 PolarHBondContact O-N 3.36Å; T22-S26 PolarHBondContact O-OG 3.14Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.44Å; S26-E30 WeakPolarHBondContact O-CA 3.38Å; S26-E30 PolarHBondContact O-N 3.32Å; S26-E30 VanDerWaalsContact O-N 3.11Å; S26-A153 PolarHBondContact OG-O 2.97Å; S26-M156 VanDerWaalsContact CB-CE 3.49Å; S26-M156 VanDerWaalsContact CB-SD 3.6Å; S26-M156 WeakPolarHBondContact O-CE 3.41Å |
| 27 | L | 89.4 | Confident | 89.2 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 18% | 0.183 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 175.3 | -177 | 72.8 | 0 | 0 | 0 | 111.7 | L23 I24 L25 I45 I58 L159 F163 | L23-L27 PolarHBondContact O-N 2.67Å; L23-L27 VanDerWaalsContact O-N 3.11Å; I24-L27 WeakPolarHBondContact O-CB 3.22Å; I24-L27 PolarHBondContact O-N 3.15Å; L25-L27 PolarHBondContact O-N 3.47Å; L27-I45 HydrophobicContact CD2-CD1 3.79Å; L27-I58 HydrophobicContact CD2-CD1 3.54Å; L27-L159 HydrophobicContact CB-CD2 4.11Å; L27-L159 HydrophobicContact CB-CG 4.41Å; L27-L159 HydrophobicContact CD1-CD2 4.43Å; L27-L159 HydrophobicContact CD1-CG 4.2Å; L27-F163 HydrophobicContact CB-CE2 4.18Å; L27-F163 HydrophobicContact CD1-CD2 4.02Å; L27-F163 HydrophobicContact CD1-CE2 4.24Å; L27-F163 HydrophobicContact CD2-CD2 3.58Å; L27-F163 HydrophobicContact CD2-CE2 3.61Å; L27-F163 HydrophobicContact CD2-CG 4.11Å; L27-F163 HydrophobicContact CD2-CZ 4.15Å; L27-F163 HydrophobicContact CG-CD2 4.32Å; L27-F163 HydrophobicContact CG-CE2 4.23Å |
| 28 | V | 87.5 | Confident | 89 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -86 | -38.7 | -175.5 | 176.5 | 0 | 0 | 0 | 0 | 112.7 | I24 L25 I43 | I24-V28 PolarHBondContact O-N 3.37Å; L25-V28 PolarHBondContact O-N 2.93Å; L25-V28 VanDerWaalsContact O-N 3.09Å; V28-I43 HydrophobicContact CB-CD1 4.29Å; V28-I43 HydrophobicContact CG2-CB 4.47Å; V28-I43 HydrophobicContact CG2-CD1 3.45Å; V28-I43 VanDerWaalsContact CG2-CD1 3.45Å; V28-I43 HydrophobicContact CG2-CG1 4.26Å; V28-I43 HydrophobicContact CG2-CG2 3.61Å |
| 29 | S | 86.2 | Confident | 88.7 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 44% | 0.441 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -84 | -14.4 | 179.4 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | L25 E31 | L25-S29 PolarHBondContact O-N 3.03Å; L25-S29 PolarHBondContact O-OG 3.43Å; S29-E31 PolarHBondContact O-N 3.07Å; S29-E31 PolarHBondContact OG-O 3.39Å |
| 30 | E | 85.8 | Confident | 88.5 | Confident | 165 Ų | 165 | 61 Ų | 61 | 77% | 0.771 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 53.8 | 14 | -169.6 | -59.1 | -174.1 | 174.2 | 0 | 0 | 113.8 | S26 M156 | S26-E30 WeakPolarHBondContact O-CA 3.38Å; S26-E30 PolarHBondContact O-N 3.32Å; S26-E30 VanDerWaalsContact O-N 3.11Å; E30-M156 VanDerWaalsContact C-CE 3.46Å |
| 31 | E | 87.4 | Confident | 88.3 | Confident | 147 Ų | 147 | 68.2 Ų | 68.2 | 69% | 0.687 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -138 | 142.3 | -177.8 | -69.1 | -172 | 171.5 | 0 | 0 | 111.2 | S29 M156 | S29-E31 PolarHBondContact O-N 3.07Å; S29-E31 PolarHBondContact OG-O 3.39Å; E31-M156 VanDerWaalsContact N-CE 3.31Å |
| 32 | F | 87.6 | Confident | 88.2 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | trans | -80.2 | 120.2 | 176.1 | 174 | -99.2 | 0 | 0 | 0 | 111.5 | T22 P34 K154 | T22-F32 HydrophobicContact CG2-CD2 3.97Å; T22-F32 HydrophobicContact CG2-CE2 3.73Å; F32-P34 HydrophobicContact CE1-CB 4.36Å; F32-K154 HydrophobicContact CD1-CG 4.1Å; F32-K154 HydrophobicContact CD2-CB 3.98Å; F32-K154 HydrophobicContact CD2-CG 4.08Å; F32-K154 HydrophobicContact CE1-CG 4.28Å; F32-K154 HydrophobicContact CE2-CB 4.14Å; F32-K154 HydrophobicContact CE2-CG 4.24Å; F32-K154 HydrophobicContact CG-CB 4.35Å; F32-K154 HydrophobicContact CG-CG 3.99Å; F32-K154 HydrophobicContact CZ-CG 4.34Å | ||
| 33 | S | 85.8 | Confident | 88.1 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | trans | -101.5 | 126.6 | 171.7 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | K35 V36 | S33-K35 PolarHBondContact O-N 3.18Å; S33-K35 PolarHBondContact OG-N 3.4Å; S33-K35 PolarHBondContact OG-O 3.35Å; S33-K35 VanDerWaalsContact OG-O 3.14Å; S33-V36 WeakPolarHBondContact O-CG2 3.16Å | ||
| 34 | P | 81 | Confident | 87.9 | Confident | 109 Ų | 109 | 75.5 Ų | 75.5 | 71% | 0.708 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -71.9 | -18.2 | 172.4 | 29.2 | -33.9 | 0 | 0 | 0 | 112.9 | F32 | F32-P34 HydrophobicContact CE1-CB 4.36Š|
| 35 | K | 85.4 | Confident | 87.8 | Confident | 187 Ų | 187 | 76.9 Ų | 76.9 | 81% | 0.813 | 41% | 0.41 | S | S | * | . | trans | -95.9 | 97.9 | 177.7 | -68.2 | -177.6 | -176.8 | 176.5 | 0 | 108.9 | S33 | S33-K35 PolarHBondContact O-N 3.18Å; S33-K35 PolarHBondContact OG-N 3.4Å; S33-K35 PolarHBondContact OG-O 3.35Å; S33-K35 VanDerWaalsContact OG-O 3.14Å | ||
| 36 | V | 84.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 36% | 0.358 | 42% | 0.416 | S | S | . | . | trans | -109.1 | 126.6 | -176.1 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | T21 L25 S33 | T21-V36 HydrophobicContact CG2-CG1 3.59Å; L25-V36 HydrophobicContact CD1-CG1 4.28Å; S33-V36 WeakPolarHBondContact O-CG2 3.16Å | ||
| 37 | P | 88.3 | Confident | 87.1 | Confident | 71 Ų | 71 | 82.7 Ų | 82.7 | 46% | 0.461 | 44% | 0.441 | S | S | . | . | trans | -66.6 | 169.6 | 173.3 | 29.5 | -33.9 | 0 | 0 | 0 | 111.4 | T21 L25 H39 | T21-P37 HydrophobicContact CG2-CG 4.04Å; L25-P37 HydrophobicContact CD1-CG 4.04Å; P37-H39 PolarHBondContact O-N 3.47Å | ||
| 38 | A | 85.3 | Confident | 86.8 | Confident | 42 Ų | 42 | 86.9 Ų | 86.9 | 35% | 0.347 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -71 | -19.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S62 T65 | A38-S62 WeakPolarHBondContact O-CB 3.31Å; A38-S62 PolarHBondContact O-OG 3.37Å; A38-T65 HydrophobicContact CB-CG2 4.23Å |
| 39 | H | 87.3 | Confident | 86.5 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 27% | 0.269 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -156.9 | 134.6 | -175.1 | 171 | -84.5 | 0 | 0 | 0 | 108.5 | P37 D60 T65 Q66 | P37-H39 PolarHBondContact O-N 3.47Å; H39-D60 PolarHBondContact CD2-O 3.12Å; H39-D60 PolarHBondContact NE2-O 3.31Å; H39-D60 VanDerWaalsContact NE2-O 3.15Å; H39-T65 HydrophobicContact CB-CG2 4.28Å; H39-Q66 PolarHBondContact NE2-NE2 2.8Å |
| 40 | A | 88 | Confident | 86.2 | Confident | 3 Ų | 3 | 84.9 Ų | 84.9 | 3% | 0.025 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 143 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T21 I24 D60 | T21-A40 HydrophobicContact CG2-CB 3.82Å; I24-A40 HydrophobicContact CB-CB 4.29Å; I24-A40 HydrophobicContact CD1-CB 4.28Å; I24-A40 HydrophobicContact CG2-CB 3.93Å; A40-D60 HydrophobicContact CB-CB 4.07Å; A40-D60 PolarHBondContact N-OD2 3.02Å |
| 41 | E | 89.1 | Confident | 85.7 | Confident | 168 Ų | 168 | 81.4 Ų | 81.4 | 79% | 0.785 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 156 | 170.5 | -65.1 | -176.7 | 174.7 | 0 | 0 | 110.9 | I43 | E41-I43 PolarHBondContact O-N 3.48Š|
| 42 | E | 90.5 | Very high | 85.2 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 121.6 | 178.2 | -176.8 | 173.7 | 150.3 | 0 | 0 | 110 | R9 Q57 V59 | R9-E42 IonicContact CZ-OE1 2.82Å; R9-E42 IonicContact CZ-OE2 3.6Å; R9-E42 IonicContact NH1-OE1 2.73Å; R9-E42 PolarHBondContact NH1-OE1 3.05Å; R9-E42 IonicContact NH1-OE2 3.27Å; R9-E42 PolarHBondContact NH1-OE2 2.97Å; R9-E42 IonicContact NH2-OE1 2.79Å; R9-E42 IonicContact NH2-OE2 3.91Å; R9-E42 PolarHBondContact NH2-OE2 3.11Å; E42-Q57 PolarHBondContact OE1-OE1 3.35Å; E42-V59 HydrophobicContact CG-CG2 4.18Å |
| 43 | I | 90.8 | Very high | 84.9 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 17% | 0.174 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.1 | -177.5 | -69.9 | 167.8 | 0 | 0 | 0 | 108.5 | I24 V28 E41 Q57 I58 | I24-I43 HydrophobicContact CG2-CD1 3.27Å; I24-I43 HydrophobicContact CG2-CG1 4.28Å; V28-I43 HydrophobicContact CB-CD1 4.29Å; V28-I43 HydrophobicContact CG2-CB 4.47Å; V28-I43 HydrophobicContact CG2-CD1 3.45Å; V28-I43 VanDerWaalsContact CG2-CD1 3.45Å; V28-I43 HydrophobicContact CG2-CG1 4.26Å; V28-I43 HydrophobicContact CG2-CG2 3.61Å; E41-I43 PolarHBondContact O-N 3.48Å; I43-Q57 CarbonylContact O-C 3.57Å; I43-Q57 WeakPolarHBondContact O-CA 3.29Å; I43-I58 PolarHBondContact N-O 3.49Å; I43-I58 VanDerWaalsContact N-O 3.1Å; I43-I58 PolarHBondContact O-N 3.13Å |
| 44 | T | 90.8 | Very high | 84.7 | Confident | 72 Ų | 72 | 73.5 Ų | 73.5 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 116.1 | 171 | -57.3 | 0 | 0 | 0 | 0 | 109.1 | P46 P55 T56 Q57 | T44-P46 WeakPolarHBondContact O-CD 3.4Å; T44-P55 HydrophobicContact CG2-CB 4.42Å; T44-T56 CarbonylContact C-O 3.59Å; T44-T56 WeakPolarHBondContact CA-O 3.31Å; T44-Q57 HydrophobicContact CG2-CG 4.27Å |
| 45 | I | 88.9 | Confident | 85.1 | Confident | 31 Ų | 31 | 70 Ų | 70 | 16% | 0.159 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 119.8 | 167.6 | -54.9 | 177.6 | 0 | 0 | 0 | 107.5 | L27 V49 T50 P55 T56 I58 | L27-I45 HydrophobicContact CD2-CD1 3.79Å; I45-V49 HydrophobicContact CG2-CB 3.98Å; I45-V49 HydrophobicContact CG2-CG1 4.1Å; I45-T50 HydrophobicContact CB-CG2 4.22Å; I45-T50 HydrophobicContact CG2-CG2 3.62Å; I45-P55 WeakPolarHBondContact O-CA 3.38Å; I45-T56 PolarHBondContact N-O 2.86Å; I45-T56 PolarHBondContact O-N 3.27Å; I45-I58 HydrophobicContact CD1-CD1 3.63Å; I45-I58 HydrophobicContact CG1-CD1 4.16Å |
| 46 | P | 86 | Confident | 85.4 | Confident | 64 Ų | 64 | 61.2 Ų | 61.2 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | trans | -61.1 | 154.4 | 177.1 | -26.6 | 38.5 | 0 | 0 | 0 | 113.5 | T44 D48 V49 T50 | T44-P46 WeakPolarHBondContact O-CD 3.4Å; P46-D48 VanDerWaalsContact C-N 3.29Å; P46-D48 WeakPolarHBondContact CB-OD1 3.45Å; P46-D48 PolarHBondContact O-N 2.87Å; P46-V49 HydrophobicContact CB-CG2 4.45Å; P46-V49 PolarHBondContact O-N 2.9Å; P46-T50 PolarHBondContact O-N 2.85Å | ||
| 47 | E | 83 | Confident | 85.9 | Confident | 114 Ų | 114 | 61 Ų | 61 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.9 | -178 | 60.7 | -176.8 | -167.3 | 0 | 0 | 113.6 | V49 T50 H53 P55 | E47-V49 PolarHBondContact O-N 3.27Å; E47-T50 PolarHBondContact O-N 2.83Å; E47-T50 PolarHBondContact O-OG1 3.01Å; E47-T50 VanDerWaalsContact O-OG1 3.11Å; E47-H53 VanDerWaalsContact O-CA 3.27Å; E47-H53 WeakPolarHBondContact O-CA 3.34Å; E47-H53 PolarHBondContact O-ND1 3.35Å; E47-P55 HydrophobicContact CB-CG 4.09Å |
| 48 | D | 82.5 | Confident | 86.2 | Confident | 122 Ų | 122 | 57.6 Ų | 57.6 | 65% | 0.652 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.8 | 178.5 | 54.6 | -55.5 | 0 | 0 | 0 | 113.4 | P46 | P46-D48 VanDerWaalsContact C-N 3.29Å; P46-D48 WeakPolarHBondContact CB-OD1 3.45Å; P46-D48 PolarHBondContact O-N 2.87Å |
| 49 | V | 81.3 | Confident | 86.6 | Confident | 99 Ų | 99 | 55.9 Ų | 55.9 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -30.6 | 179.4 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | I45 P46 E47 | I45-V49 HydrophobicContact CG2-CB 3.98Å; I45-V49 HydrophobicContact CG2-CG1 4.1Å; P46-V49 HydrophobicContact CB-CG2 4.45Å; P46-V49 PolarHBondContact O-N 2.9Å; E47-V49 PolarHBondContact O-N 3.27Å |
| 50 | T | 80.6 | Confident | 86.9 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -76.1 | 139.4 | -179.4 | 63.9 | 0 | 0 | 0 | 0 | 112.2 | I45 P46 E47 E52 H53 I54 | I45-T50 HydrophobicContact CB-CG2 4.22Å; I45-T50 HydrophobicContact CG2-CG2 3.62Å; P46-T50 PolarHBondContact O-N 2.85Å; E47-T50 PolarHBondContact O-N 2.83Å; E47-T50 PolarHBondContact O-OG1 3.01Å; E47-T50 VanDerWaalsContact O-OG1 3.11Å; T50-E52 PolarHBondContact O-N 3.38Å; T50-H53 PolarHBondContact O-N 2.91Å; T50-H53 VanDerWaalsContact O-N 3.1Å; T50-H53 WeakPolarHBondContact OG1-CA 3.28Å; T50-H53 PolarHBondContact OG1-N 3.05Å; T50-I54 WeakPolarHBondContact CG2-O 3.4Å; T50-I54 PolarHBondContact OG1-N 2.95Å; T50-I54 PolarHBondContact OG1-O 2.69Å; T50-I54 VanDerWaalsContact OG1-O 3.09Å |
| 51 | P | 74.8 | Confident | 87.2 | Confident | 91 Ų | 91 | 53.7 Ų | 53.7 | 59% | 0.591 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24 | 179.5 | 23.6 | -31.9 | 0 | 0 | 0 | 113.4 | ||
| 52 | E | 76.9 | Confident | 87.3 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -0.3 | 179.4 | -71.8 | -76.4 | 170.6 | 0 | 0 | 113.8 | M1 T50 I54 L171 Y172 | M1-E52 PolarHBondContact N-OE2 3.32Å; T50-E52 PolarHBondContact O-N 3.38Å; E52-I54 HydrophobicContact CB-CD1 3.95Å; E52-I54 WeakPolarHBondContact O-CG1 3.27Å; E52-L171 HydrophobicContact CB-CD1 3.64Å; E52-L171 HydrophobicContact CG-CD1 3.41Å; E52-L171 VanDerWaalsContact CG-CD1 3.41Å; E52-Y172 VanDerWaalsContact CD-OH 3.25Å; E52-Y172 WeakPolarHBondContact OE1-CE2 3.26Å; E52-Y172 PolarHBondContact OE1-OH 3.38Å; E52-Y172 PolarHBondContact OE2-OH 3.19Å |
| 53 | H | 80.9 | Confident | 87.1 | Confident | 88 Ų | 88 | 45.4 Ų | 45.4 | 41% | 0.407 | 26% | 0.259 | S | S | . | . | trans | 54.8 | 48 | -177 | -61.4 | -56.2 | 0 | 0 | 0 | 114.7 | E47 T50 | E47-H53 VanDerWaalsContact O-CA 3.27Å; E47-H53 WeakPolarHBondContact O-CA 3.34Å; E47-H53 PolarHBondContact O-ND1 3.35Å; T50-H53 PolarHBondContact O-N 2.91Å; T50-H53 VanDerWaalsContact O-N 3.1Å; T50-H53 WeakPolarHBondContact OG1-CA 3.28Å; T50-H53 PolarHBondContact OG1-N 3.05Å | ||
| 54 | I | 83.1 | Confident | 86.9 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | trans | -134.9 | 129.7 | -179.7 | -59.8 | 151.8 | 0 | 0 | 0 | 109.1 | S2 V8 T50 E52 T56 L171 | S2-I54 WeakPolarHBondContact OG-CD1 3.48Å; V8-I54 HydrophobicContact CG2-CG2 4.12Å; T50-I54 WeakPolarHBondContact CG2-O 3.4Å; T50-I54 PolarHBondContact OG1-N 2.95Å; T50-I54 PolarHBondContact OG1-O 2.69Å; T50-I54 VanDerWaalsContact OG1-O 3.09Å; E52-I54 HydrophobicContact CB-CD1 3.95Å; E52-I54 WeakPolarHBondContact O-CG1 3.27Å; I54-T56 PolarHBondContact O-N 2.94Å; I54-T56 PolarHBondContact O-OG1 3.24Å; I54-L171 HydrophobicContact CD1-CD1 3.78Å; I54-L171 HydrophobicContact CD1-CD2 3.41Å; I54-L171 VanDerWaalsContact CD1-CD2 3.41Å; I54-L171 HydrophobicContact CD1-CG 4.27Å | ||
| 55 | P | 88.9 | Confident | 86.6 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 22% | 0.221 | 29% | 0.287 | C | S | . | . | trans | -56.2 | 130.3 | 175.3 | -22.2 | 33.1 | 0 | 0 | 0 | 111 | A7 V8 T44 I45 E47 | A7-P55 CarbonylContact C-O 3.52Å; A7-P55 WeakPolarHBondContact CA-O 3.38Å; A7-P55 HydrophobicContact CB-CB 4.26Å; V8-P55 PolarHBondContact N-O 3.25Å; T44-P55 HydrophobicContact CG2-CB 4.42Å; I45-P55 WeakPolarHBondContact O-CA 3.38Å; E47-P55 HydrophobicContact CB-CG 4.09Å | ||
| 56 | T | 92.1 | Very high | 86.6 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 113.1 | -176.5 | -58.7 | 0 | 0 | 0 | 0 | 110 | V8 I10 T44 I45 I54 Q167 | V8-T56 HydrophobicContact CB-CG2 4.45Å; V8-T56 CarbonylContact O-C 3.57Å; V8-T56 WeakPolarHBondContact O-CA 3.47Å; I10-T56 HydrophobicContact CD1-CG2 3.42Å; I10-T56 VanDerWaalsContact CD1-CG2 3.42Å; I10-T56 HydrophobicContact CG1-CG2 3.87Å; T44-T56 CarbonylContact C-O 3.59Å; T44-T56 WeakPolarHBondContact CA-O 3.31Å; I45-T56 PolarHBondContact N-O 2.86Å; I45-T56 PolarHBondContact O-N 3.27Å; I54-T56 PolarHBondContact O-N 2.94Å; I54-T56 PolarHBondContact O-OG1 3.24Å; T56-Q167 PolarHBondContact OG1-NE2 2.96Å |
| 57 | Q | 93.8 | Very high | 86.9 | Confident | 53 Ų | 53 | 50.9 Ų | 50.9 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.2 | 177 | -67.6 | 176.4 | -11.8 | 0 | 0 | 109.4 | V8 R9 I10 E42 I43 T44 | V8-Q57 PolarHBondContact O-N 3.39Å; R9-Q57 CarbonylContact C-O 3.58Å; R9-Q57 WeakPolarHBondContact CA-O 3.43Å; R9-Q57 HydrophobicContact CB-CB 4.48Å; R9-Q57 HydrophobicContact CG-CB 4.29Å; I10-Q57 PolarHBondContact N-O 2.98Å; E42-Q57 PolarHBondContact OE1-OE1 3.35Å; I43-Q57 CarbonylContact O-C 3.57Å; I43-Q57 WeakPolarHBondContact O-CA 3.29Å; T44-Q57 HydrophobicContact CG2-CG 4.27Å |
| 58 | I | 94.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.4 | 177.5 | -58.4 | 171.7 | 0 | 0 | 0 | 108 | I10 L12 I24 L27 I43 I45 F163 | I10-I58 HydrophobicContact CD1-CG1 4.47Å; L12-I58 HydrophobicContact CD1-CG2 3.52Å; I24-I58 HydrophobicContact CD1-CG2 3.96Å; I24-I58 HydrophobicContact CG1-CG2 3.73Å; I24-I58 HydrophobicContact CG2-CG2 4.4Å; L27-I58 HydrophobicContact CD2-CD1 3.54Å; I43-I58 PolarHBondContact N-O 3.49Å; I43-I58 VanDerWaalsContact N-O 3.1Å; I43-I58 PolarHBondContact O-N 3.13Å; I45-I58 HydrophobicContact CD1-CD1 3.63Å; I45-I58 HydrophobicContact CG1-CD1 4.16Å; I58-F163 HydrophobicContact CD1-CD1 3.64Å; I58-F163 HydrophobicContact CD1-CE1 3.65Å; I58-F163 HydrophobicContact CD1-CG 4.18Å; I58-F163 HydrophobicContact CD1-CZ 4.23Å; I58-F163 HydrophobicContact CG1-CD1 4.12Å; I58-F163 HydrophobicContact CG1-CE1 4.13Å; I58-F163 HydrophobicContact CG2-CE1 3.79Å; I58-F163 HydrophobicContact CG2-CZ 4.47Å |
| 59 | V | 94.4 | Very high | 87.6 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.1 | -172.9 | -172.3 | 0 | 0 | 0 | 0 | 109 | R9 I10 L11 L12 E42 | R9-V59 HydrophobicContact CG-CG2 3.85Å; R9-V59 VanDerWaalsContact NH2-CG2 3.32Å; I10-V59 PolarHBondContact O-N 3.48Å; L11-V59 HydrophobicContact CD1-CB 3.97Å; L11-V59 HydrophobicContact CD1-CG1 3.85Å; L12-V59 PolarHBondContact N-O 3.35Å; E42-V59 HydrophobicContact CG-CG2 4.18Å |
| 60 | D | 94.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.9 | 171.9 | -161 | 7.9 | 0 | 0 | 0 | 109.9 | K20 T21 I24 H39 A40 | K20-D60 WeakPolarHBondContact CB-OD1 3.33Å; T21-D60 WeakPolarHBondContact CA-OD2 3.4Å; T21-D60 WeakPolarHBondContact CB-OD2 3.02Å; T21-D60 PolarHBondContact OG1-OD2 3.31Å; I24-D60 HydrophobicContact CD1-CB 3.47Å; I24-D60 VanDerWaalsContact CD1-CB 3.47Å; H39-D60 PolarHBondContact CD2-O 3.12Å; H39-D60 PolarHBondContact NE2-O 3.31Å; H39-D60 VanDerWaalsContact NE2-O 3.15Å; A40-D60 HydrophobicContact CB-CB 4.07Å; A40-D60 PolarHBondContact N-OD2 3.02Å |
| 61 | Y | 93.3 | Very high | 88.6 | Confident | 14 Ų | 14 | 52 Ų | 52 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | trans | -107.1 | 130.8 | 166.6 | 172.5 | -101.9 | 0 | 0 | 0 | 110.5 | L12 L13 K20 A63 Q66 L71 W100 | L12-Y61 PolarHBondContact O-N 3.45Å; L13-Y61 HydrophobicContact CD2-CD1 3.86Å; L13-Y61 HydrophobicContact CD2-CG 3.86Å; K20-Y61 WeakPolarHBondContact CE-O 3.23Å; Y61-A63 HydrophobicContact CE1-CB 4.28Å; Y61-Q66 HydrophobicContact CD2-CB 4.14Å; Y61-Q66 VanDerWaalsContact CD2-OE1 3.24Å; Y61-Q66 HydrophobicContact CE2-CB 3.74Å; Y61-L71 HydrophobicContact CD1-CD1 3.84Å; Y61-L71 HydrophobicContact CD2-CB 4.21Å; Y61-L71 HydrophobicContact CD2-CD1 3.94Å; Y61-L71 HydrophobicContact CE1-CB 4.47Å; Y61-L71 HydrophobicContact CE1-CD1 3.86Å; Y61-L71 HydrophobicContact CE1-CD2 4.08Å; Y61-L71 HydrophobicContact CE1-CG 4.36Å; Y61-L71 HydrophobicContact CE2-CB 3.56Å; Y61-L71 HydrophobicContact CE2-CD1 3.98Å; Y61-L71 HydrophobicContact CE2-CG 4.24Å; Y61-L71 HydrophobicContact CG-CD1 3.88Å; Y61-W100 HydrophobicContact CD1-CH2 4.44Å; Y61-W100 HydrophobicContact CE1-CH2 4.18Å | ||
| 62 | S | 91.1 | Very high | 89.4 | Confident | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | trans | -132 | 117.1 | 175.8 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | A38 Q64 T65 Q66 | A38-S62 WeakPolarHBondContact O-CB 3.31Å; A38-S62 PolarHBondContact O-OG 3.37Å; S62-Q64 PolarHBondContact O-N 3.28Å; S62-T65 PolarHBondContact O-N 3.17Å; S62-T65 PolarHBondContact O-OG1 3.15Å; S62-Q66 WeakPolarHBondContact O-CB 3.42Å; S62-Q66 PolarHBondContact O-N 3.27Å | ||
| 63 | A | 86.8 | Confident | 90.1 | Very high | 71 Ų | 71 | 50 Ų | 50 | 59% | 0.587 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y61 | Y61-A63 HydrophobicContact CE1-CB 4.28Š|
| 64 | Q | 86.6 | Confident | 90.7 | Very high | 143 Ų | 143 | 47.1 Ų | 47.1 | 67% | 0.668 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -28.4 | 174.7 | -68.4 | 179.9 | 43.7 | 0 | 0 | 112.6 | S62 | S62-Q64 PolarHBondContact O-N 3.28Š|
| 65 | T | 85.3 | Confident | 91.1 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 52% | 0.521 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -24 | -173.2 | 57.4 | 0 | 0 | 0 | 0 | 113 | A38 H39 S62 | A38-T65 HydrophobicContact CB-CG2 4.23Å; H39-T65 HydrophobicContact CB-CG2 4.28Å; S62-T65 PolarHBondContact O-N 3.17Å; S62-T65 PolarHBondContact O-OG1 3.15Å |
| 66 | Q | 89.1 | Confident | 91.1 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -119.4 | 139.6 | -173.7 | -68.6 | 163.4 | -43.6 | 0 | 0 | 111.6 | H39 Y61 S62 H70 | H39-Q66 PolarHBondContact NE2-NE2 2.8Å; Y61-Q66 HydrophobicContact CD2-CB 4.14Å; Y61-Q66 VanDerWaalsContact CD2-OE1 3.24Å; Y61-Q66 HydrophobicContact CE2-CB 3.74Å; S62-Q66 WeakPolarHBondContact O-CB 3.42Å; S62-Q66 PolarHBondContact O-N 3.27Å; Q66-H70 HydrophobicContact CB-CB 4.08Å |
| 67 | S | 91.1 | Very high | 91 | Very high | 50 Ų | 50 | 58.6 Ų | 58.6 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | trans | -77 | 170.9 | 177.5 | 74.5 | 0 | 0 | 0 | 0 | 112.6 | E69 H70 L71 | S67-E69 VanDerWaalsContact C-N 3.26Å; S67-E69 PolarHBondContact O-N 3.06Å; S67-E69 PolarHBondContact OG-N 3.22Å; S67-H70 PolarHBondContact N-ND1 2.84Å; S67-H70 WeakPolarHBondContact O-CB 3.49Å; S67-H70 PolarHBondContact O-N 2.88Å; S67-H70 PolarHBondContact OG-ND1 3.24Å; S67-L71 PolarHBondContact O-N 3.45Å; S67-L71 VanDerWaalsContact O-N 3.13Å | ||
| 68 | H | 89.5 | Confident | 91 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 45% | 0.454 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -32.7 | 174.2 | -172.6 | 68.7 | 0 | 0 | 0 | 112.9 | H70 L71 C72 | H68-H70 VanDerWaalsContact C-N 3.34Å; H68-H70 PolarHBondContact O-N 3.08Å; H68-L71 WeakPolarHBondContact O-CB 3.31Å; H68-L71 PolarHBondContact O-N 3.07Å; H68-C72 PolarHBondContact O-N 2.88Å; H68-C72 PolarHBondContact O-SG 3.47Å; H68-C72 VanDerWaalsContact O-SG 3.41Å |
| 69 | E | 90.8 | Very high | 90.8 | Very high | 158 Ų | 158 | 59.2 Ų | 59.2 | 74% | 0.738 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.2 | -40.3 | 175.4 | -66.7 | 174 | 175.2 | 0 | 0 | 111.7 | S67 C72 A73 | S67-E69 VanDerWaalsContact C-N 3.26Å; S67-E69 PolarHBondContact O-N 3.06Å; S67-E69 PolarHBondContact OG-N 3.22Å; E69-C72 PolarHBondContact O-N 3.1Å; E69-A73 PolarHBondContact O-N 3.45Å |
| 70 | H | 91.8 | Very high | 90.8 | Very high | 108 Ų | 108 | 58.9 Ų | 58.9 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 174.3 | -65.2 | 100.4 | 0 | 0 | 0 | 111.7 | Q66 S67 H68 C72 A73 E74 | Q66-H70 HydrophobicContact CB-CB 4.08Å; S67-H70 PolarHBondContact N-ND1 2.84Å; S67-H70 WeakPolarHBondContact O-CB 3.49Å; S67-H70 PolarHBondContact O-N 2.88Å; S67-H70 PolarHBondContact OG-ND1 3.24Å; H68-H70 VanDerWaalsContact C-N 3.34Å; H68-H70 PolarHBondContact O-N 3.08Å; H70-C72 PolarHBondContact O-N 3.01Å; H70-A73 PolarHBondContact O-N 3.02Å; H70-E74 PolarHBondContact O-N 3.2Å |
| 71 | L | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57 | -50.4 | 174.6 | 176.8 | 57.4 | 0 | 0 | 0 | 111.4 | L13 Y61 S67 H68 A73 E74 I75 W100 L103 | L13-L71 HydrophobicContact CD1-CD1 4.21Å; L13-L71 HydrophobicContact CD2-CD1 3.45Å; L13-L71 VanDerWaalsContact CD2-CD1 3.45Å; L13-L71 HydrophobicContact CG-CD1 4.5Å; Y61-L71 HydrophobicContact CD1-CD1 3.84Å; Y61-L71 HydrophobicContact CD2-CB 4.21Å; Y61-L71 HydrophobicContact CD2-CD1 3.94Å; Y61-L71 HydrophobicContact CE1-CB 4.47Å; Y61-L71 HydrophobicContact CE1-CD1 3.86Å; Y61-L71 HydrophobicContact CE1-CD2 4.08Å; Y61-L71 HydrophobicContact CE1-CG 4.36Å; Y61-L71 HydrophobicContact CE2-CB 3.56Å; Y61-L71 HydrophobicContact CE2-CD1 3.98Å; Y61-L71 HydrophobicContact CE2-CG 4.24Å; Y61-L71 HydrophobicContact CG-CD1 3.88Å; S67-L71 PolarHBondContact O-N 3.45Å; S67-L71 VanDerWaalsContact O-N 3.13Å; H68-L71 WeakPolarHBondContact O-CB 3.31Å; H68-L71 PolarHBondContact O-N 3.07Å; L71-A73 VanDerWaalsContact C-N 3.29Å; L71-A73 PolarHBondContact O-N 3.28Å; L71-E74 PolarHBondContact O-N 3.35Å; L71-I75 HydrophobicContact CD1-CD1 3.89Å; L71-I75 HydrophobicContact CD1-CG1 4.17Å; L71-I75 HydrophobicContact CG-CD1 3.91Å; L71-I75 WeakPolarHBondContact O-CG1 3.2Å; L71-I75 PolarHBondContact O-N 3.37Å; L71-W100 HydrophobicContact CD1-CZ3 4.35Å; L71-W100 HydrophobicContact CD2-CZ3 4.09Å; L71-L103 HydrophobicContact CD2-CD2 3.67Å; L71-L103 HydrophobicContact CG-CD2 4.48Å |
| 72 | C | 91.5 | Very high | 91 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 19% | 0.189 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 178.7 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | H68 E69 H70 K76 V107 | H68-C72 PolarHBondContact O-N 2.88Å; H68-C72 PolarHBondContact O-SG 3.47Å; H68-C72 VanDerWaalsContact O-SG 3.41Å; E69-C72 PolarHBondContact O-N 3.1Å; H70-C72 PolarHBondContact O-N 3.01Å; C72-K76 WeakPolarHBondContact O-CG 3.49Å; C72-K76 PolarHBondContact O-N 2.86Å; C72-K76 VanDerWaalsContact O-N 3.16Å; C72-V107 HydrophobicContact CB-CG1 4.21Å; C72-V107 HydrophobicContact CB-CG2 4.35Å |
| 73 | A | 91.2 | Very high | 91.2 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E69 H70 L71 K76 R77 | E69-A73 PolarHBondContact O-N 3.45Å; H70-A73 PolarHBondContact O-N 3.02Å; L71-A73 VanDerWaalsContact C-N 3.29Å; L71-A73 PolarHBondContact O-N 3.28Å; A73-K76 PolarHBondContact O-N 3.41Å; A73-R77 WeakPolarHBondContact O-CG 3.4Å; A73-R77 PolarHBondContact O-N 3.02Å |
| 74 | E | 92.8 | Very high | 91.6 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 177.7 | -71.9 | -53.4 | 133.2 | 0 | 0 | 112.2 | R9 L11 H70 L71 K76 R77 A78 | R9-E74 IonicContact CZ-OE2 3.99Å; R9-E74 IonicContact NE-OE2 2.75Å; R9-E74 PolarHBondContact NE-OE2 3.26Å; R9-E74 IonicContact NH2-OE1 2.51Å; R9-E74 IonicContact NH2-OE2 4Å; R9-E74 PolarHBondContact NH2-OE2 3.5Å; L11-E74 HydrophobicContact CD1-CB 3.95Å; L11-E74 HydrophobicContact CD2-CB 3.94Å; H70-E74 PolarHBondContact O-N 3.2Å; L71-E74 PolarHBondContact O-N 3.35Å; E74-K76 VanDerWaalsContact C-N 3.32Å; E74-K76 PolarHBondContact O-N 3.46Å; E74-R77 PolarHBondContact O-N 2.8Å; E74-R77 VanDerWaalsContact O-N 3.12Å; E74-R77 IonicContact OE1-NH1 2.64Å; E74-A78 PolarHBondContact O-N 2.96Å |
| 75 | I | 92.2 | Very high | 92 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -46.8 | 173.4 | -71.1 | 167.6 | 0 | 0 | 0 | 110.3 | L11 L13 L71 R77 A78 I81 L103 I104 V107 I115 | L11-I75 HydrophobicContact CD2-CG1 4.04Å; L13-I75 HydrophobicContact CD1-CD1 4.17Å; L13-I75 HydrophobicContact CD1-CG1 3.95Å; L71-I75 HydrophobicContact CD1-CD1 3.89Å; L71-I75 HydrophobicContact CD1-CG1 4.17Å; L71-I75 HydrophobicContact CG-CD1 3.91Å; L71-I75 WeakPolarHBondContact O-CG1 3.2Å; L71-I75 PolarHBondContact O-N 3.37Å; I75-R77 PolarHBondContact O-N 3.46Å; I75-A78 PolarHBondContact O-N 3.16Å; I75-I81 HydrophobicContact CG1-CD1 4.46Å; I75-I81 HydrophobicContact CG2-CD1 4.2Å; I75-L103 HydrophobicContact CD1-CD2 4.5Å; I75-L103 HydrophobicContact CD1-CG 4.49Å; I75-I104 HydrophobicContact CD1-CG1 4.39Å; I75-V107 HydrophobicContact CB-CG1 3.94Å; I75-V107 HydrophobicContact CD1-CG2 4.36Å; I75-V107 HydrophobicContact CG2-CB 3.97Å; I75-V107 HydrophobicContact CG2-CG1 3.64Å; I75-I115 HydrophobicContact CG2-CD1 4.41Å; I75-I115 VanDerWaalsContact O-CD1 3.27Å; I75-I115 WeakPolarHBondContact O-CD1 3.39Å |
| 76 | K | 89.4 | Confident | 92.4 | Very high | 143 Ų | 143 | 43.9 Ų | 43.9 | 62% | 0.622 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -65 | -24.8 | 178.8 | -72.5 | 179.7 | 179.7 | -171.7 | 0 | 113.9 | C72 A73 E74 V107 | C72-K76 WeakPolarHBondContact O-CG 3.49Å; C72-K76 PolarHBondContact O-N 2.86Å; C72-K76 VanDerWaalsContact O-N 3.16Å; A73-K76 PolarHBondContact O-N 3.41Å; E74-K76 VanDerWaalsContact C-N 3.32Å; E74-K76 PolarHBondContact O-N 3.46Å; K76-V107 HydrophobicContact CD-CG1 4.47Å; K76-V107 HydrophobicContact CG-CG1 3.86Å |
| 77 | R | 90 | Very high | 92.5 | Very high | 148 Ų | 148 | 42 Ų | 42 | 56% | 0.558 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -90.3 | -18.6 | 179.2 | -70.3 | 175.6 | 66.6 | 176.4 | -0.4 | 113.1 | R9 A73 E74 I75 | R9-R77 WeakPolarHBondContact CD-O 3.34Å; A73-R77 WeakPolarHBondContact O-CG 3.4Å; A73-R77 PolarHBondContact O-N 3.02Å; E74-R77 PolarHBondContact O-N 2.8Å; E74-R77 VanDerWaalsContact O-N 3.12Å; E74-R77 IonicContact OE1-NH1 2.64Å; I75-R77 PolarHBondContact O-N 3.46Å |
| 78 | A | 92.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | trans | -68.6 | 140 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L11 E74 I75 I81 | L11-A78 HydrophobicContact CB-CB 3.75Å; L11-A78 HydrophobicContact CD2-CB 4.19Å; E74-A78 PolarHBondContact O-N 2.96Å; I75-A78 PolarHBondContact O-N 3.16Å; A78-I81 HydrophobicContact CB-CG1 4.01Å | ||
| 79 | N | 91 | Very high | 92.6 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 32% | 0.316 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -90.1 | -26.8 | 166.9 | -56.4 | 125.5 | 0 | 0 | 0 | 111.5 | A7 R9 P116 V170 | A7-N79 PolarHBondContact O-OD1 3.47Å; R9-N79 PolarHBondContact N-OD1 2.9Å; R9-N79 PolarHBondContact O-N 3.3Å; N79-P116 VanDerWaalsContact O-CD 3.24Å; N79-P116 WeakPolarHBondContact O-CD 3.37Å; N79-P116 WeakPolarHBondContact O-CG 3.41Å; N79-V170 HydrophobicContact CB-CG1 3.93Å; N79-V170 HydrophobicContact CB-CG2 3.89Å; N79-V170 WeakPolarHBondContact O-CG2 3.44Å |
| 80 | V | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 145.9 | 175.5 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | V8 R9 I10 L11 P116 V118 A166 A169 V170 | V8-V80 HydrophobicContact CG1-CG1 4.3Å; R9-V80 PolarHBondContact O-N 3.37Å; I10-V80 HydrophobicContact CB-CG1 4.1Å; I10-V80 HydrophobicContact CG1-CG1 3.68Å; I10-V80 HydrophobicContact CG2-CG1 4.18Å; L11-V80 PolarHBondContact N-O 3.2Å; V80-P116 WeakPolarHBondContact CA-O 3.44Å; V80-P116 HydrophobicContact CB-CG 4.08Å; V80-P116 HydrophobicContact CG2-CB 4.44Å; V80-P116 HydrophobicContact CG2-CG 4.17Å; V80-P116 WeakPolarHBondContact CG2-O 3.32Å; V80-V118 HydrophobicContact CG2-CG2 4.15Å; V80-A166 HydrophobicContact CG1-CB 3.99Å; V80-A166 HydrophobicContact CG2-CB 4Å; V80-A169 HydrophobicContact CG2-CB 4.36Å; V80-V170 HydrophobicContact CB-CG2 3.55Å; V80-V170 HydrophobicContact CG1-CG2 3.76Å |
| 81 | I | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125 | 178.2 | -63.4 | 171.8 | 0 | 0 | 0 | 109.3 | L11 L13 I75 A78 L83 I104 I115 P116 I117 V118 | L11-I81 HydrophobicContact CB-CG1 4.43Å; L11-I81 HydrophobicContact CD2-CG1 4.49Å; L11-I81 CarbonylContact O-C 3.52Å; L11-I81 WeakPolarHBondContact O-CA 3.36Å; L13-I81 HydrophobicContact CB-CG2 4.17Å; L13-I81 HydrophobicContact CD1-CD1 4.42Å; L13-I81 HydrophobicContact CD1-CG2 3.76Å; L13-I81 HydrophobicContact CG-CG2 3.93Å; I75-I81 HydrophobicContact CG1-CD1 4.46Å; I75-I81 HydrophobicContact CG2-CD1 4.2Å; A78-I81 HydrophobicContact CB-CG1 4.01Å; I81-L83 HydrophobicContact CG2-CD2 4.38Å; I81-L83 HydrophobicContact CG2-CG 4.12Å; I81-I104 HydrophobicContact CD1-CD1 3.97Å; I81-I104 HydrophobicContact CD1-CG1 4Å; I81-I104 HydrophobicContact CD1-CG2 3.83Å; I81-I104 HydrophobicContact CG2-CD1 4.07Å; I81-I115 HydrophobicContact CD1-CG2 4.03Å; I81-I115 HydrophobicContact CG1-CG2 3.94Å; I81-P116 PolarHBondContact N-O 3.18Å; I81-I117 HydrophobicContact CB-CG1 4.48Å; I81-I117 CarbonylContact O-C 3.58Å; I81-I117 WeakPolarHBondContact O-CA 3.5Å; I81-V118 PolarHBondContact O-N 3.38Å |
| 82 | C | 96.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 105.8 | 168 | -72 | 0 | 0 | 0 | 0 | 109.1 | I10 L11 L12 L13 V84 V118 V120 | I10-C82 HydrophobicContact CG2-CB 4.44Å; I10-C82 VanDerWaalsContact CG2-SG 3.6Å; L11-C82 PolarHBondContact O-N 2.93Å; L12-C82 WeakPolarHBondContact CA-O 3.33Å; L12-C82 HydrophobicContact CG-CB 4.13Å; L13-C82 PolarHBondContact N-O 3.18Å; C82-V84 PolarHBondContact O-N 2.67Å; C82-V118 CarbonylContact C-O 3.6Å; C82-V118 VanDerWaalsContact CA-O 3.3Å; C82-V118 WeakPolarHBondContact CA-O 3.33Å; C82-V120 HydrophobicContact CB-CG2 4.03Å |
| 83 | L | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 100.8 | 175.1 | -80 | 175.3 | 0 | 0 | 0 | 110.1 | L13 I81 I96 W100 L101 I104 I117 V118 V120 | L13-L83 HydrophobicContact CB-CD2 3.69Å; I81-L83 HydrophobicContact CG2-CD2 4.38Å; I81-L83 HydrophobicContact CG2-CG 4.12Å; L83-I96 HydrophobicContact CD1-CG2 4.24Å; L83-W100 HydrophobicContact CD1-CB 4.34Å; L83-W100 HydrophobicContact CD2-CB 3.69Å; L83-W100 HydrophobicContact CD2-CD2 4.35Å; L83-W100 HydrophobicContact CD2-CG 4.01Å; L83-L101 HydrophobicContact CD1-CD2 3.71Å; L83-L101 HydrophobicContact CD1-CG 4.08Å; L83-I104 HydrophobicContact CD1-CD1 3.95Å; L83-I104 HydrophobicContact CD2-CD1 4.12Å; L83-I104 HydrophobicContact CG-CD1 4.23Å; L83-I117 HydrophobicContact CB-CG2 4.35Å; L83-I117 HydrophobicContact CD1-CG2 3.6Å; L83-I117 HydrophobicContact CG-CG2 3.97Å; L83-V118 PolarHBondContact N-O 2.8Å; L83-V120 PolarHBondContact O-N 3.27Å |
| 84 | V | 96.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126 | -176.8 | -168.2 | 0 | 0 | 0 | 0 | 110.2 | L12 L13 G14 V18 K20 L23 C82 V120 N122 | L12-V84 HydrophobicContact CD2-CG2 4.2Å; L12-V84 HydrophobicContact CG-CG2 4.42Å; L13-V84 PolarHBondContact O-N 3.42Å; G14-V84 WeakPolarHBondContact CA-O 3.41Å; V18-V84 HydrophobicContact CB-CG1 4.28Å; V18-V84 HydrophobicContact CG2-CB 3.92Å; V18-V84 HydrophobicContact CG2-CG1 3.82Å; V18-V84 WeakPolarHBondContact CG2-O 3.24Å; K20-V84 HydrophobicContact CG-CB 3.96Å; K20-V84 HydrophobicContact CG-CG1 4.48Å; K20-V84 HydrophobicContact CG-CG2 4.01Å; L23-V84 HydrophobicContact CD1-CG1 3.77Å; L23-V84 HydrophobicContact CD1-CG2 3.93Å; C82-V84 PolarHBondContact O-N 2.67Å; V84-V120 CarbonylContact C-O 3.58Å; V84-V120 WeakPolarHBondContact CA-O 3.36Å; V84-V120 HydrophobicContact CG2-CB 4.19Å; V84-N122 HydrophobicContact CG1-CB 3.91Å |
| 85 | H | 94.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 162.4 | 165.5 | 74.2 | 95.2 | 0 | 0 | 0 | 109.7 | S92 I96 V120 G121 N122 M135 | H85-S92 WeakPolarHBondContact CB-OG 3.35Å; H85-I96 HydrophobicContact CB-CD1 3.82Å; H85-V120 PolarHBondContact CD2-O 3.13Å; H85-V120 PolarHBondContact N-O 2.94Å; H85-G121 VanDerWaalsContact NE2-CA 3.31Å; H85-G121 WeakPolarHBondContact NE2-CA 3.33Å; H85-N122 PolarHBondContact O-N 3.29Å; H85-M135 VanDerWaalsContact NE2-CE 3.31Å; H85-M135 WeakPolarHBondContact NE2-CE 3.07Å |
| 86 | A | 93.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V18 D88 D89 S92 K123 | V18-A86 HydrophobicContact CB-CB 4.28Å; V18-A86 HydrophobicContact CG1-CB 4.31Å; A86-D88 WeakPolarHBondContact CB-OD1 3.45Å; A86-D88 PolarHBondContact O-N 2.88Å; A86-D89 HydrophobicContact CB-CB 4.25Å; A86-D89 PolarHBondContact O-N 3.07Å; A86-D89 VanDerWaalsContact O-N 3.14Å; A86-S92 PolarHBondContact N-OG 2.99Å; A86-S92 PolarHBondContact O-OG 3.21Å; A86-K123 HydrophobicContact CB-CD 4.13Å; A86-K123 HydrophobicContact CB-CG 4.44Å |
| 87 | L | 90.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.8 | -179.9 | -68.2 | 169.7 | 0 | 0 | 0 | 112.9 | G121 N122 L124 N127 K131 E150 | L87-G121 WeakPolarHBondContact CD1-O 3.4Å; L87-N122 WeakPolarHBondContact CB-O 3.42Å; L87-N122 VanDerWaalsContact CG-O 3.29Å; L87-N122 WeakPolarHBondContact CG-O 3.41Å; L87-N122 PolarHBondContact N-O 3.12Å; L87-L124 HydrophobicContact CD1-CB 3.84Å; L87-L124 HydrophobicContact CD1-CD1 3.72Å; L87-L124 HydrophobicContact CD1-CG 4.39Å; L87-N127 HydrophobicContact CB-CB 4.14Å; L87-N127 PolarHBondContact O-ND2 3.37Å; L87-N127 VanDerWaalsContact O-ND2 3.08Å; L87-K131 HydrophobicContact CD2-CB 4.42Å; L87-K131 HydrophobicContact CD2-CD 4.25Å; L87-K131 PolarHBondContact O-NZ 2.98Å; L87-E150 HydrophobicContact CD1-CB 4.39Å; L87-E150 HydrophobicContact CD1-CG 4.46Å; L87-E150 HydrophobicContact CD2-CG 4.39Å |
| 88 | D | 90.6 | Very high | 92.4 | Very high | 75 Ų | 75 | 34.2 Ų | 34.2 | 40% | 0.401 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -8.4 | 174.1 | 65.6 | -24.1 | 0 | 0 | 0 | 113.9 | A86 K123 I126 | A86-D88 WeakPolarHBondContact CB-OD1 3.45Å; A86-D88 PolarHBondContact O-N 2.88Å; D88-K123 VanDerWaalsContact CG-NZ 3.3Å; D88-K123 WeakPolarHBondContact OD1-CD 3.38Å; D88-K123 IonicContact OD1-NZ 3.87Å; D88-K123 PolarHBondContact OD1-NZ 2.98Å; D88-K123 IonicContact OD2-NZ 2.83Å; D88-K123 PolarHBondContact OD2-NZ 2.86Å; D88-I126 HydrophobicContact CB-CG2 4.13Å |
| 89 | D | 91.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | trans | -123.6 | 100.2 | -178.9 | 179.5 | 16.5 | 0 | 0 | 0 | 112.4 | A86 N91 S92 | A86-D89 HydrophobicContact CB-CB 4.25Å; A86-D89 PolarHBondContact O-N 3.07Å; A86-D89 VanDerWaalsContact O-N 3.14Å; D89-N91 PolarHBondContact O-N 2.86Å; D89-N91 WeakPolarHBondContact OD1-CB 3.25Å; D89-N91 PolarHBondContact OD1-N 3.01Å; D89-S92 PolarHBondContact O-N 3.32Å; D89-S92 PolarHBondContact O-OG 3.35Å; D89-S92 WeakPolarHBondContact OD2-CB 3.35Å; D89-S92 PolarHBondContact OD2-N 3.28Å | ||
| 90 | E | 87.8 | Confident | 92.6 | Very high | 73 Ų | 73 | 36.1 Ų | 36.1 | 34% | 0.341 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.3 | -23 | 177.1 | -69 | -76.6 | 144.9 | 0 | 0 | 113.3 | F93 K94 K131 K134 | E90-F93 PolarHBondContact O-N 3.46Å; E90-K94 WeakPolarHBondContact O-CG 3.13Å; E90-K94 PolarHBondContact O-N 3.47Å; E90-K94 VanDerWaalsContact O-N 3.15Å; E90-K131 WeakPolarHBondContact OE1-CE 3.46Å; E90-K131 IonicContact OE1-NZ 2.66Å; E90-K131 PolarHBondContact OE1-NZ 3.49Å; E90-K134 IonicContact OE1-NZ 3.2Å; E90-K134 PolarHBondContact OE1-NZ 2.51Å; E90-K134 IonicContact OE2-NZ 3.32Å; E90-K134 PolarHBondContact OE2-NZ 2.94Å |
| 91 | N | 92.2 | Very high | 92.5 | Very high | 104 Ų | 104 | 36.2 Ų | 36.2 | 56% | 0.556 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -72 | -40.1 | 176.3 | -67.1 | -40.5 | 0 | 0 | 0 | 111.1 | D89 F93 K94 Q95 | D89-N91 PolarHBondContact O-N 2.86Å; D89-N91 WeakPolarHBondContact OD1-CB 3.25Å; D89-N91 PolarHBondContact OD1-N 3.01Å; N91-F93 PolarHBondContact O-N 2.77Å; N91-K94 PolarHBondContact O-N 3.43Å; N91-K94 VanDerWaalsContact O-N 3.15Å; N91-Q95 WeakPolarHBondContact O-CG 3.5Å; N91-Q95 PolarHBondContact O-N 3.13Å |
| 92 | S | 92.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.4 | -35.9 | 174.4 | 73.6 | 0 | 0 | 0 | 0 | 112.3 | H85 A86 D89 | H85-S92 WeakPolarHBondContact CB-OG 3.35Å; A86-S92 PolarHBondContact N-OG 2.99Å; A86-S92 PolarHBondContact O-OG 3.21Å; D89-S92 PolarHBondContact O-N 3.32Å; D89-S92 PolarHBondContact O-OG 3.35Å; D89-S92 WeakPolarHBondContact OD2-CB 3.35Å; D89-S92 PolarHBondContact OD2-N 3.28Å |
| 93 | F | 90 | Very high | 92 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.9 | -45.2 | 175.1 | -178.6 | -118.2 | 0 | 0 | 0 | 112.6 | E90 N91 Q95 I96 K134 M135 L138 | E90-F93 PolarHBondContact O-N 3.46Å; N91-F93 PolarHBondContact O-N 2.77Å; F93-Q95 VanDerWaalsContact C-N 3.26Å; F93-Q95 PolarHBondContact O-N 3.42Å; F93-I96 HydrophobicContact CD2-CD1 4.18Å; F93-I96 WeakPolarHBondContact O-CB 3.3Å; F93-I96 PolarHBondContact O-N 3.37Å; F93-I96 VanDerWaalsContact O-N 3.12Å; F93-K134 HydrophobicContact CE1-CB 4.31Å; F93-K134 HydrophobicContact CZ-CB 4.43Å; F93-M135 HydrophobicContact CD2-CE 3.43Å; F93-M135 VanDerWaalsContact CD2-CE 3.43Å; F93-M135 HydrophobicContact CD2-SD 4.11Å; F93-M135 HydrophobicContact CE2-CE 3.06Å; F93-M135 HydrophobicContact CE2-SD 3.2Å; F93-M135 WeakPolarHBondContact CE2-SD 3.42Å; F93-M135 HydrophobicContact CG-CE 4.4Å; F93-M135 HydrophobicContact CZ-CE 3.7Å; F93-M135 HydrophobicContact CZ-SD 3.74Å; F93-L138 HydrophobicContact CE2-CD1 3.5Å; F93-L138 VanDerWaalsContact CE2-CD1 3.5Å; F93-L138 HydrophobicContact CZ-CD1 3.43Å; F93-L138 VanDerWaalsContact CZ-CD1 3.43Å; F93-L138 HydrophobicContact CZ-CG 4.46Å |
| 94 | K | 90.4 | Very high | 91.7 | Very high | 124 Ų | 124 | 39.9 Ų | 39.9 | 54% | 0.539 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.1 | -35.7 | 176.9 | -71.4 | 174.5 | -175.7 | 174.1 | 0 | 112.7 | E90 N91 I96 S97 S98 | E90-K94 WeakPolarHBondContact O-CG 3.13Å; E90-K94 PolarHBondContact O-N 3.47Å; E90-K94 VanDerWaalsContact O-N 3.15Å; N91-K94 PolarHBondContact O-N 3.43Å; N91-K94 VanDerWaalsContact O-N 3.15Å; K94-I96 PolarHBondContact O-N 3.39Å; K94-S97 PolarHBondContact O-N 3.46Å; K94-S97 PolarHBondContact O-OG 2.84Å; K94-S98 PolarHBondContact O-N 3.14Å; K94-S98 VanDerWaalsContact O-N 3.08Å; K94-S98 PolarHBondContact O-OG 2.86Å; K94-S98 VanDerWaalsContact O-OG 3.06Å |
| 95 | Q | 93.1 | Very high | 91.3 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.6 | -25.6 | 178.4 | -71.4 | -63.8 | -9.2 | 0 | 0 | 113.3 | E15 N91 F93 S97 S98 Y99 W100 | E15-Q95 HydrophobicContact CG-CB 3.93Å; E15-Q95 HydrophobicContact CG-CG 3.98Å; N91-Q95 WeakPolarHBondContact O-CG 3.5Å; N91-Q95 PolarHBondContact O-N 3.13Å; F93-Q95 VanDerWaalsContact C-N 3.26Å; F93-Q95 PolarHBondContact O-N 3.42Å; Q95-S97 PolarHBondContact O-N 3.5Å; Q95-S98 WeakPolarHBondContact CA-OG 3.36Å; Q95-S98 PolarHBondContact OE1-OG 3.19Å; Q95-Y99 PolarHBondContact O-N 3.47Å; Q95-Y99 VanDerWaalsContact OE1-CB 3.24Å; Q95-W100 VanDerWaalsContact O-CD1 3.31Å; Q95-W100 PolarHBondContact O-N 3.03Å |
| 96 | I | 91.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -56.1 | -53 | 175.4 | -69.3 | -179.6 | 0 | 0 | 0 | 109.9 | L83 H85 F93 K94 L101 I119 | L83-I96 HydrophobicContact CD1-CG2 4.24Å; H85-I96 HydrophobicContact CB-CD1 3.82Å; F93-I96 HydrophobicContact CD2-CD1 4.18Å; F93-I96 WeakPolarHBondContact O-CB 3.3Å; F93-I96 PolarHBondContact O-N 3.37Å; F93-I96 VanDerWaalsContact O-N 3.12Å; K94-I96 PolarHBondContact O-N 3.39Å; I96-L101 HydrophobicContact CG2-CD1 3.66Å; I96-L101 HydrophobicContact CG2-CG 3.94Å; I96-L101 WeakPolarHBondContact O-CB 3.36Å; I96-L101 VanDerWaalsContact O-CG 3.28Å; I96-L101 WeakPolarHBondContact O-CG 3.43Å; I96-L101 PolarHBondContact O-N 3.28Å; I96-I119 HydrophobicContact CD1-CG2 3.89Å; I96-I119 HydrophobicContact CG2-CD1 4.13Å |
| 97 | S | 89.3 | Confident | 90.5 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -79.2 | -35.3 | -178.5 | 60.2 | 0 | 0 | 0 | 0 | 113.4 | K94 Q95 P102 Y142 | K94-S97 PolarHBondContact O-N 3.46Å; K94-S97 PolarHBondContact O-OG 2.84Å; Q95-S97 PolarHBondContact O-N 3.5Å; S97-P102 VanDerWaalsContact O-CD 3.24Å; S97-P102 WeakPolarHBondContact O-CD 3.33Å; S97-P102 WeakPolarHBondContact O-CG 3.32Å; S97-Y142 PolarHBondContact O-OH 2.75Å |
| 98 | S | 91.3 | Very high | 89.9 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 53% | 0.531 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -81.7 | -29.2 | -174.5 | 63.7 | 0 | 0 | 0 | 0 | 114.7 | K94 Q95 | K94-S98 PolarHBondContact O-N 3.14Å; K94-S98 VanDerWaalsContact O-N 3.08Å; K94-S98 PolarHBondContact O-OG 2.86Å; K94-S98 VanDerWaalsContact O-OG 3.06Å; Q95-S98 WeakPolarHBondContact CA-OG 3.36Å; Q95-S98 PolarHBondContact OE1-OG 3.19Å |
| 99 | Y | 93.3 | Very high | 88.5 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -127.5 | -57.2 | -173.1 | 177.8 | -106.4 | 0 | 0 | 0 | 112.6 | Q95 P102 L103 | Q95-Y99 PolarHBondContact O-N 3.47Å; Q95-Y99 VanDerWaalsContact OE1-CB 3.24Å; Y99-P102 WeakPolarHBondContact O-CD 3.4Å; Y99-L103 HydrophobicContact CE1-CD2 4.06Å; Y99-L103 WeakPolarHBondContact O-CB 3.48Å; Y99-L103 PolarHBondContact O-N 2.98Å |
| 100 | W | 94.2 | Very high | 87.2 | Confident | 12 Ų | 12 | 57 Ų | 57 | 5% | 0.045 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -68 | -49.6 | -168.7 | -67.7 | 104.8 | 0 | 0 | 0 | 113.3 | L13 G14 E15 Y61 L71 L83 Q95 L103 I104 | L13-W100 HydrophobicContact CB-CE3 4.17Å; L13-W100 HydrophobicContact CB-CZ3 4.19Å; L13-W100 HydrophobicContact CD1-CE3 4.3Å; L13-W100 HydrophobicContact CD1-CZ3 4.37Å; L13-W100 HydrophobicContact CD2-CZ3 4.39Å; G14-W100 VanDerWaalsContact C-CZ2 3.47Å; G14-W100 WeakPolarHBondContact O-CZ2 3.12Å; E15-W100 PolarHBondContact OE1-NE1 3.49Å; Y61-W100 HydrophobicContact CD1-CH2 4.44Å; Y61-W100 HydrophobicContact CE1-CH2 4.18Å; L71-W100 HydrophobicContact CD1-CZ3 4.35Å; L71-W100 HydrophobicContact CD2-CZ3 4.09Å; L83-W100 HydrophobicContact CD1-CB 4.34Å; L83-W100 HydrophobicContact CD2-CB 3.69Å; L83-W100 HydrophobicContact CD2-CD2 4.35Å; L83-W100 HydrophobicContact CD2-CG 4.01Å; Q95-W100 VanDerWaalsContact O-CD1 3.31Å; Q95-W100 PolarHBondContact O-N 3.03Å; W100-L103 PolarHBondContact O-N 3.48Å; W100-I104 WeakPolarHBondContact O-CD1 3.41Å; W100-I104 VanDerWaalsContact O-CG1 3.26Å; W100-I104 WeakPolarHBondContact O-CG1 3.43Å; W100-I104 PolarHBondContact O-N 3.47Å |
| 101 | L | 91.8 | Very high | 85.8 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 178.8 | -70.4 | 170.7 | 0 | 0 | 0 | 112.5 | L83 I96 L103 I104 R105 I117 Y142 V145 | L83-L101 HydrophobicContact CD1-CD2 3.71Å; L83-L101 HydrophobicContact CD1-CG 4.08Å; I96-L101 HydrophobicContact CG2-CD1 3.66Å; I96-L101 HydrophobicContact CG2-CG 3.94Å; I96-L101 WeakPolarHBondContact O-CB 3.36Å; I96-L101 VanDerWaalsContact O-CG 3.28Å; I96-L101 WeakPolarHBondContact O-CG 3.43Å; I96-L101 PolarHBondContact O-N 3.28Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 2.9Å; L101-I104 PolarHBondContact O-N 3.45Å; L101-R105 PolarHBondContact O-N 3.44Å; L101-R105 VanDerWaalsContact O-N 3.1Å; L101-I117 HydrophobicContact CD2-CD1 3.51Å; L101-I117 HydrophobicContact CD2-CG2 4.39Å; L101-Y142 HydrophobicContact CB-CD1 3.77Å; L101-Y142 HydrophobicContact CB-CE1 3.54Å; L101-Y142 HydrophobicContact CB-CG 4.4Å; L101-Y142 HydrophobicContact CD1-CD1 3.94Å; L101-Y142 HydrophobicContact CD1-CD2 3.62Å; L101-Y142 HydrophobicContact CD1-CE1 4.15Å; L101-Y142 HydrophobicContact CD1-CE2 3.84Å; L101-Y142 HydrophobicContact CD1-CG 3.68Å; L101-Y142 HydrophobicContact CD2-CD1 4.4Å; L101-Y142 HydrophobicContact CG-CD1 4.26Å; L101-Y142 HydrophobicContact CG-CE1 4.4Å; L101-Y142 HydrophobicContact CG-CG 4.44Å; L101-V145 HydrophobicContact CD1-CG2 4.34Å; L101-V145 HydrophobicContact CD2-CG2 3.85Å |
| 102 | P | 90.5 | Very high | 84.1 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 171.6 | -26.9 | 35 | 0 | 0 | 0 | 113.9 | S97 Y99 R105 H106 | S97-P102 VanDerWaalsContact O-CD 3.24Å; S97-P102 WeakPolarHBondContact O-CD 3.33Å; S97-P102 WeakPolarHBondContact O-CG 3.32Å; Y99-P102 WeakPolarHBondContact O-CD 3.4Å; P102-R105 PolarHBondContact O-N 3.08Å; P102-H106 WeakPolarHBondContact O-CB 3.43Å; P102-H106 PolarHBondContact O-N 2.83Å |
| 103 | L | 90.9 | Very high | 82.8 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.089 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 178.1 | 175.9 | 65 | 0 | 0 | 0 | 111.6 | L71 I75 Y99 W100 L101 R105 H106 V107 | L71-L103 HydrophobicContact CD2-CD2 3.67Å; L71-L103 HydrophobicContact CG-CD2 4.48Å; I75-L103 HydrophobicContact CD1-CD2 4.5Å; I75-L103 HydrophobicContact CD1-CG 4.49Å; Y99-L103 HydrophobicContact CE1-CD2 4.06Å; Y99-L103 WeakPolarHBondContact O-CB 3.48Å; Y99-L103 PolarHBondContact O-N 2.98Å; W100-L103 PolarHBondContact O-N 3.48Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 2.9Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 3.02Å; L103-H106 PolarHBondContact O-N 3.36Å; L103-H106 VanDerWaalsContact O-N 3.12Å; L103-V107 HydrophobicContact CD1-CG2 3.95Å; L103-V107 HydrophobicContact CG-CG2 4.38Å; L103-V107 WeakPolarHBondContact O-CG2 3.36Å; L103-V107 PolarHBondContact O-N 3.24Å |
| 104 | I | 90.9 | Very high | 82 | Confident | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -47 | 179.3 | -67 | 162.2 | 0 | 0 | 0 | 109.9 | L13 I75 I81 L83 W100 L101 H106 V107 S108 I117 | L13-I104 HydrophobicContact CD1-CD1 4.28Å; L13-I104 HydrophobicContact CD1-CG1 4.37Å; I75-I104 HydrophobicContact CD1-CG1 4.39Å; I81-I104 HydrophobicContact CD1-CD1 3.97Å; I81-I104 HydrophobicContact CD1-CG1 4Å; I81-I104 HydrophobicContact CD1-CG2 3.83Å; I81-I104 HydrophobicContact CG2-CD1 4.07Å; L83-I104 HydrophobicContact CD1-CD1 3.95Å; L83-I104 HydrophobicContact CD2-CD1 4.12Å; L83-I104 HydrophobicContact CG-CD1 4.23Å; W100-I104 WeakPolarHBondContact O-CD1 3.41Å; W100-I104 VanDerWaalsContact O-CG1 3.26Å; W100-I104 WeakPolarHBondContact O-CG1 3.43Å; W100-I104 PolarHBondContact O-N 3.47Å; L101-I104 PolarHBondContact O-N 3.45Å; I104-H106 VanDerWaalsContact C-N 3.29Å; I104-H106 PolarHBondContact O-N 2.91Å; I104-V107 PolarHBondContact O-N 3.32Å; I104-S108 WeakPolarHBondContact O-CB 3.37Å; I104-S108 PolarHBondContact O-N 2.99Å; I104-S108 PolarHBondContact O-OG 2.91Å; I104-I117 HydrophobicContact CD1-CD1 3.93Å; I104-I117 HydrophobicContact CG2-CD1 4.07Å |
| 105 | R | 86.7 | Confident | 81.8 | Confident | 100 Ų | 100 | 61.9 Ų | 61.9 | 38% | 0.377 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.2 | -39.8 | 174.5 | -78.7 | -175.8 | 170.8 | 167.2 | 1 | 112.9 | L101 P102 L103 E141 E144 | L101-R105 PolarHBondContact O-N 3.44Å; L101-R105 VanDerWaalsContact O-N 3.1Å; P102-R105 PolarHBondContact O-N 3.08Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 3.02Å; R105-E141 PolarHBondContact NH2-O 2.8Å; R105-E144 IonicContact CZ-OE1 2.75Å; R105-E144 IonicContact CZ-OE2 3.93Å; R105-E144 IonicContact NE-OE1 3.44Å; R105-E144 PolarHBondContact NE-OE1 2.81Å; R105-E144 IonicContact NE-OE2 2.75Å; R105-E144 PolarHBondContact NE-OE2 3.21Å; R105-E144 IonicContact NH2-OE1 2.91Å; R105-E144 PolarHBondContact NH2-OE1 2.88Å; R105-E144 IonicContact NH2-OE2 3.79Å; R105-E144 PolarHBondContact NH2-OE2 3.09Å |
| 106 | H | 86.6 | Confident | 81.6 | Confident | 142 Ų | 142 | 59.2 Ų | 59.2 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.3 | -33.5 | 179.1 | -177.4 | 68 | 0 | 0 | 0 | 113.1 | P102 L103 I104 T109 | P102-H106 WeakPolarHBondContact O-CB 3.43Å; P102-H106 PolarHBondContact O-N 2.83Å; L103-H106 PolarHBondContact O-N 3.36Å; L103-H106 VanDerWaalsContact O-N 3.12Å; I104-H106 VanDerWaalsContact C-N 3.29Å; I104-H106 PolarHBondContact O-N 2.91Å; H106-T109 VanDerWaalsContact O-CG2 3.24Å; H106-T109 WeakPolarHBondContact O-CG2 3.28Å |
| 107 | V | 86 | Confident | 81.7 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -80.3 | -33 | 179.4 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | C72 I75 K76 L103 I104 T109 | C72-V107 HydrophobicContact CB-CG1 4.21Å; C72-V107 HydrophobicContact CB-CG2 4.35Å; I75-V107 HydrophobicContact CB-CG1 3.94Å; I75-V107 HydrophobicContact CD1-CG2 4.36Å; I75-V107 HydrophobicContact CG2-CB 3.97Å; I75-V107 HydrophobicContact CG2-CG1 3.64Å; K76-V107 HydrophobicContact CD-CG1 4.47Å; K76-V107 HydrophobicContact CG-CG1 3.86Å; L103-V107 HydrophobicContact CD1-CG2 3.95Å; L103-V107 HydrophobicContact CG-CG2 4.38Å; L103-V107 WeakPolarHBondContact O-CG2 3.36Å; L103-V107 PolarHBondContact O-N 3.24Å; I104-V107 PolarHBondContact O-N 3.32Å; V107-T109 PolarHBondContact O-N 3.49Å; V107-T109 VanDerWaalsContact O-N 3.12Å |
| 108 | S | 78.4 | Confident | 81.9 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | trans | -83 | 45.2 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 113 | I104 D110 I115 | I104-S108 WeakPolarHBondContact O-CB 3.37Å; I104-S108 PolarHBondContact O-N 2.99Å; I104-S108 PolarHBondContact O-OG 2.91Å; S108-D110 PolarHBondContact O-N 2.83Å; S108-D110 VanDerWaalsContact O-N 3.15Å; S108-I115 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 109 | T | 61.4 | Low | 82.1 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 63% | 0.632 | 29% | 0.292 | S | S | * | . | trans | -63.9 | -14.4 | -177.6 | 38.9 | 0 | 0 | 0 | 0 | 115.4 | H106 V107 A111 | H106-T109 VanDerWaalsContact O-CG2 3.24Å; H106-T109 WeakPolarHBondContact O-CG2 3.28Å; V107-T109 PolarHBondContact O-N 3.49Å; V107-T109 VanDerWaalsContact O-N 3.12Å; T109-A111 PolarHBondContact O-N 3.45Å; T109-A111 VanDerWaalsContact O-N 3.08Å | ||
| 110 | D | 64 | Low | 82.2 | Confident | 115 Ų | 115 | 49.3 Ų | 49.3 | 62% | 0.615 | 28% | 0.275 | S | S | * | . | trans | -68.4 | 109 | 172.7 | -80.3 | -19 | 0 | 0 | 0 | 108 | S108 D112 T113 | S108-D110 PolarHBondContact O-N 2.83Å; S108-D110 VanDerWaalsContact O-N 3.15Å; D110-D112 PolarHBondContact O-N 2.9Å; D110-T113 HydrophobicContact CB-CG2 4.24Å; D110-T113 VanDerWaalsContact CB-OG1 3.23Å; D110-T113 WeakPolarHBondContact CB-OG1 3.32Å; D110-T113 PolarHBondContact O-N 3.05Å; D110-T113 PolarHBondContact O-OG1 3.39Å | ||
| 111 | A | 56.6 | Low | 82.2 | Confident | 106 Ų | 106 | 48.8 Ų | 48.8 | 88% | 0.876 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -19.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T109 | T109-A111 PolarHBondContact O-N 3.45Å; T109-A111 VanDerWaalsContact O-N 3.08Å |
| 112 | D | 58.2 | Low | 82.3 | Confident | 159 Ų | 159 | 48.9 Ų | 48.9 | 85% | 0.85 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -11.3 | 179.5 | -66.6 | -31 | 0 | 0 | 0 | 114.1 | D110 | D110-D112 PolarHBondContact O-N 2.9Š|
| 113 | T | 63 | Low | 82.5 | Confident | 70 Ų | 70 | 48.4 Ų | 48.4 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | trans | -103.1 | 87.9 | -177.2 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | D110 I115 | D110-T113 HydrophobicContact CB-CG2 4.24Å; D110-T113 VanDerWaalsContact CB-OG1 3.23Å; D110-T113 WeakPolarHBondContact CB-OG1 3.32Å; D110-T113 PolarHBondContact O-N 3.05Å; D110-T113 PolarHBondContact O-OG1 3.39Å; T113-I115 PolarHBondContact O-N 2.96Å | ||
| 114 | H | 73.1 | Confident | 82.5 | Confident | 80 Ų | 80 | 48.7 Ų | 48.7 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | trans | -85.1 | 104 | 169.9 | -176.9 | -76.9 | 0 | 0 | 0 | 110.3 | P116 E144 | H114-P116 WeakPolarHBondContact O-CD 3.26Å; H114-E144 WeakPolarHBondContact NE2-CA 3.45Å | ||
| 115 | I | 86.8 | Confident | 82.6 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | trans | -85.7 | 114.4 | 176.8 | -53.2 | 178.2 | 0 | 0 | 0 | 108.7 | I75 I81 S108 T113 | I75-I115 HydrophobicContact CG2-CD1 4.41Å; I75-I115 VanDerWaalsContact O-CD1 3.27Å; I75-I115 WeakPolarHBondContact O-CD1 3.39Å; I81-I115 HydrophobicContact CD1-CG2 4.03Å; I81-I115 HydrophobicContact CG1-CG2 3.94Å; S108-I115 WeakPolarHBondContact OG-CD1 3.42Å; T113-I115 PolarHBondContact O-N 2.96Å | ||
| 116 | P | 90.1 | Very high | 82.7 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 7% | 0.071 | 28% | 0.283 | C | S | . | . | trans | -62.3 | 145.4 | 175.9 | 25.1 | -34.5 | 0 | 0 | 0 | 111.8 | N79 V80 I81 H114 E146 A169 V170 | N79-P116 VanDerWaalsContact O-CD 3.24Å; N79-P116 WeakPolarHBondContact O-CD 3.37Å; N79-P116 WeakPolarHBondContact O-CG 3.41Å; V80-P116 WeakPolarHBondContact CA-O 3.44Å; V80-P116 HydrophobicContact CB-CG 4.08Å; V80-P116 HydrophobicContact CG2-CB 4.44Å; V80-P116 HydrophobicContact CG2-CG 4.17Å; V80-P116 WeakPolarHBondContact CG2-O 3.32Å; I81-P116 PolarHBondContact N-O 3.18Å; H114-P116 WeakPolarHBondContact O-CD 3.26Å; P116-E146 HydrophobicContact CB-CG 4.02Å; P116-A169 HydrophobicContact CB-CB 3.86Å; P116-A169 HydrophobicContact CG-CB 4.16Å; P116-V170 HydrophobicContact CG-CG2 4.22Å | ||
| 117 | I | 93 | Very high | 82.5 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.7 | -179.3 | -57.8 | 178.9 | 0 | 0 | 0 | 109.3 | I81 L83 L101 I104 E144 V145 E146 | I81-I117 HydrophobicContact CB-CG1 4.48Å; I81-I117 CarbonylContact O-C 3.58Å; I81-I117 WeakPolarHBondContact O-CA 3.5Å; L83-I117 HydrophobicContact CB-CG2 4.35Å; L83-I117 HydrophobicContact CD1-CG2 3.6Å; L83-I117 HydrophobicContact CG-CG2 3.97Å; L101-I117 HydrophobicContact CD2-CD1 3.51Å; L101-I117 HydrophobicContact CD2-CG2 4.39Å; I104-I117 HydrophobicContact CD1-CD1 3.93Å; I104-I117 HydrophobicContact CG2-CD1 4.07Å; I117-E144 HydrophobicContact CD1-CB 4Å; I117-E144 HydrophobicContact CG1-CB 4.25Å; I117-E144 PolarHBondContact N-O 2.96Å; I117-V145 HydrophobicContact CB-CG2 4.35Å; I117-V145 HydrophobicContact CG2-CG2 4.3Å; I117-V145 WeakPolarHBondContact O-CA 3.06Å; I117-E146 PolarHBondContact O-N 3.09Å |
| 118 | V | 93.5 | Very high | 82 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.8 | 170 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | V80 I81 C82 L83 V120 T147 I149 A166 | V80-V118 HydrophobicContact CG2-CG2 4.15Å; I81-V118 PolarHBondContact O-N 3.38Å; C82-V118 CarbonylContact C-O 3.6Å; C82-V118 VanDerWaalsContact CA-O 3.3Å; C82-V118 WeakPolarHBondContact CA-O 3.33Å; L83-V118 PolarHBondContact N-O 2.8Å; V118-V120 HydrophobicContact CG1-CG2 4.13Å; V118-T147 WeakPolarHBondContact CA-O 3.49Å; V118-I149 HydrophobicContact CG1-CG2 4.06Å; V118-A166 HydrophobicContact CG2-CB 4.17Å |
| 119 | I | 94.4 | Very high | 82 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.7 | 173.9 | -64 | 175.8 | 0 | 0 | 0 | 108.6 | I96 M135 V145 T147 C148 I149 | I96-I119 HydrophobicContact CD1-CG2 3.89Å; I96-I119 HydrophobicContact CG2-CD1 4.13Å; I119-M135 HydrophobicContact CG2-SD 4.05Å; I119-V145 HydrophobicContact CD1-CG1 3.6Å; I119-V145 HydrophobicContact CD1-CG2 4.15Å; I119-V145 HydrophobicContact CG1-CG1 3.85Å; I119-T147 PolarHBondContact N-O 2.89Å; I119-C148 HydrophobicContact CB-CB 4.38Å; I119-C148 CarbonylContact O-C 3.5Å; I119-C148 WeakPolarHBondContact O-CA 3.49Å; I119-I149 PolarHBondContact O-N 3.44Å |
| 120 | V | 95.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 106.2 | -175.1 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | L23 C82 L83 V84 H85 V118 N122 I149 C151 T162 | L23-V120 HydrophobicContact CD1-CG1 4.25Å; C82-V120 HydrophobicContact CB-CG2 4.03Å; L83-V120 PolarHBondContact O-N 3.27Å; V84-V120 CarbonylContact C-O 3.58Å; V84-V120 WeakPolarHBondContact CA-O 3.36Å; V84-V120 HydrophobicContact CG2-CB 4.19Å; H85-V120 PolarHBondContact CD2-O 3.13Å; H85-V120 PolarHBondContact N-O 2.94Å; V118-V120 HydrophobicContact CG1-CG2 4.13Å; V120-N122 PolarHBondContact O-N 3.16Å; V120-I149 CarbonylContact C-O 3.38Å; V120-I149 WeakPolarHBondContact CA-O 3.39Å; V120-I149 HydrophobicContact CG1-CG2 4.47Å; V120-I149 HydrophobicContact CG2-CG2 4.15Å; V120-C151 WeakPolarHBondContact CG1-SG 3.41Å; V120-T162 HydrophobicContact CB-CG2 4.33Å; V120-T162 HydrophobicContact CG1-CG2 3.84Å; V120-T162 HydrophobicContact CG2-CG2 3.47Å; V120-T162 VanDerWaalsContact CG2-CG2 3.47Å |
| 121 | G | 94.7 | Very high | 83.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 95.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H85 L87 I149 E150 C151 | H85-G121 VanDerWaalsContact NE2-CA 3.31Å; H85-G121 WeakPolarHBondContact NE2-CA 3.33Å; L87-G121 WeakPolarHBondContact CD1-O 3.4Å; G121-I149 PolarHBondContact N-O 3.41Å; G121-E150 CarbonylContact O-C 3.15Å; G121-E150 VanDerWaalsContact O-CA 3.28Å; G121-E150 WeakPolarHBondContact O-CA 3.21Å; G121-C151 PolarHBondContact O-N 3.23Å |
| 122 | N | 94.7 | Very high | 84.3 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 167.8 | -177.9 | -171.1 | 30.1 | 0 | 0 | 0 | 112.5 | V18 V84 H85 L87 V120 C151 A153 | V18-N122 PolarHBondContact O-ND2 3.47Å; V84-N122 HydrophobicContact CG1-CB 3.91Å; H85-N122 PolarHBondContact O-N 3.29Å; L87-N122 WeakPolarHBondContact CB-O 3.42Å; L87-N122 VanDerWaalsContact CG-O 3.29Å; L87-N122 WeakPolarHBondContact CG-O 3.41Å; L87-N122 PolarHBondContact N-O 3.12Å; V120-N122 PolarHBondContact O-N 3.16Å; N122-C151 CarbonylContact C-O 3.52Å; N122-C151 VanDerWaalsContact CA-O 3.32Å; N122-C151 WeakPolarHBondContact CA-O 3.38Å; N122-A153 PolarHBondContact OD1-N 2.96Å; N122-A153 VanDerWaalsContact OD1-N 3.14Å |
| 123 | K | 94 | Very high | 85.4 | Confident | 45 Ų | 45 | 48.8 Ų | 48.8 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | trans | 68 | 37.7 | -179.3 | -45.9 | -170.5 | -158.8 | 153.7 | 0 | 114.3 | A86 D88 D125 I126 N127 C151 | A86-K123 HydrophobicContact CB-CD 4.13Å; A86-K123 HydrophobicContact CB-CG 4.44Å; D88-K123 VanDerWaalsContact CG-NZ 3.3Å; D88-K123 WeakPolarHBondContact OD1-CD 3.38Å; D88-K123 IonicContact OD1-NZ 3.87Å; D88-K123 PolarHBondContact OD1-NZ 2.98Å; D88-K123 IonicContact OD2-NZ 2.83Å; D88-K123 PolarHBondContact OD2-NZ 2.86Å; K123-D125 WeakPolarHBondContact CA-OD1 3.42Å; K123-D125 PolarHBondContact O-N 3.28Å; K123-I126 HydrophobicContact CB-CD1 4.18Å; K123-I126 HydrophobicContact CB-CG1 4.39Å; K123-I126 HydrophobicContact CD-CD1 3.87Å; K123-I126 PolarHBondContact O-N 2.75Å; K123-N127 PolarHBondContact O-N 3.31Å; K123-C151 PolarHBondContact N-O 2.99Å; K123-C151 VanDerWaalsContact N-O 3.11Å | ||
| 124 | L | 91.6 | Very high | 86.2 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -15.7 | 174 | -172.6 | 63.6 | 0 | 0 | 0 | 113.2 | L87 I126 H128 E150 C151 L157 | L87-L124 HydrophobicContact CD1-CB 3.84Å; L87-L124 HydrophobicContact CD1-CD1 3.72Å; L87-L124 HydrophobicContact CD1-CG 4.39Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-H128 PolarHBondContact O-CE1 2.89Å; L124-H128 PolarHBondContact O-ND1 2.75Å; L124-E150 HydrophobicContact CD1-CB 4.25Å; L124-E150 HydrophobicContact CD2-CB 4.19Å; L124-C151 VanDerWaalsContact CB-O 3.27Å; L124-C151 WeakPolarHBondContact CB-O 3.49Å; L124-C151 PolarHBondContact N-O 3Å; L124-L157 HydrophobicContact CD2-CD2 3.76Å |
| 125 | D | 91.5 | Very high | 86.5 | Confident | 39 Ų | 39 | 46.7 Ų | 46.7 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.3 | 172.3 | 58.8 | -70.6 | 0 | 0 | 0 | 114.2 | K123 S152 K154 T155 | K123-D125 WeakPolarHBondContact CA-OD1 3.42Å; K123-D125 PolarHBondContact O-N 3.28Å; D125-S152 WeakPolarHBondContact CB-OG 3.48Å; D125-S152 VanDerWaalsContact CG-OG 3.32Å; D125-S152 WeakPolarHBondContact OD1-CB 3.42Å; D125-S152 PolarHBondContact OD1-OG 3.19Å; D125-K154 WeakPolarHBondContact OD2-CD 3.18Å; D125-T155 HydrophobicContact CB-CG2 3.91Å |
| 126 | I | 89.4 | Confident | 86.1 | Confident | 102 Ų | 102 | 50.8 Ų | 50.8 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -40.5 | 178.2 | -57.8 | 179.9 | 0 | 0 | 0 | 110.4 | D88 K123 L124 | D88-I126 HydrophobicContact CB-CG2 4.13Å; K123-I126 HydrophobicContact CB-CD1 4.18Å; K123-I126 HydrophobicContact CB-CG1 4.39Å; K123-I126 HydrophobicContact CD-CD1 3.87Å; K123-I126 PolarHBondContact O-N 2.75Å; L124-I126 VanDerWaalsContact C-N 3.34Å |
| 127 | N | 82 | Confident | 85.8 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | trans | -126.3 | 102.4 | -177.8 | -169 | 11.1 | 0 | 0 | 0 | 110.3 | L87 K123 E129 K131 | L87-N127 HydrophobicContact CB-CB 4.14Å; L87-N127 PolarHBondContact O-ND2 3.37Å; L87-N127 VanDerWaalsContact O-ND2 3.08Å; K123-N127 PolarHBondContact O-N 3.31Å; N127-E129 VanDerWaalsContact C-N 3.31Å; N127-E129 PolarHBondContact O-N 3.01Å; N127-K131 WeakPolarHBondContact ND2-CE 3.49Å; N127-K131 PolarHBondContact ND2-NZ 2.87Å | ||
| 128 | H | 76.8 | Confident | 85.2 | Confident | 153 Ų | 153 | 54.5 Ų | 54.5 | 71% | 0.708 | 28% | 0.28 | S | S | * | . | trans | -80.7 | -7.7 | -177.2 | -62.7 | -53.4 | 0 | 0 | 0 | 113.9 | L124 S130 | L124-H128 PolarHBondContact O-CE1 2.89Å; L124-H128 PolarHBondContact O-ND1 2.75Å; H128-S130 PolarHBondContact O-N 2.97Å | ||
| 129 | E | 78 | Confident | 84.5 | Confident | 146 Ų | 146 | 57.4 Ų | 57.4 | 68% | 0.682 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -74.6 | 119.9 | 175.1 | -75.7 | -168.5 | 161 | 0 | 0 | 110.9 | N127 K131 | N127-E129 VanDerWaalsContact C-N 3.31Å; N127-E129 PolarHBondContact O-N 3.01Å; E129-K131 PolarHBondContact O-N 2.96Å |
| 130 | S | 76.1 | Confident | 83.6 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | trans | -67.8 | 119.9 | 175.7 | -171.3 | 0 | 0 | 0 | 0 | 110.9 | H128 L132 E150 | H128-S130 PolarHBondContact O-N 2.97Å; S130-L132 VanDerWaalsContact C-N 3.34Å; S130-L132 WeakPolarHBondContact OG-CD1 3.35Å; S130-L132 VanDerWaalsContact OG-CG 3.32Å; S130-L132 WeakPolarHBondContact OG-CG 3.47Å; S130-E150 WeakPolarHBondContact CA-OE1 3.45Å; S130-E150 WeakPolarHBondContact CA-OE2 3.41Å; S130-E150 VanDerWaalsContact CB-OE2 3.28Å; S130-E150 WeakPolarHBondContact CB-OE2 3.28Å; S130-E150 PolarHBondContact OG-OE1 3.28Å; S130-E150 PolarHBondContact OG-OE2 3.29Å | ||
| 131 | K | 76.2 | Confident | 83 | Confident | 28 Ų | 28 | 68 Ų | 68 | 12% | 0.122 | 36% | 0.355 | C | S | . | . | trans | -93.9 | 8.8 | 176.3 | -66.1 | -176.4 | -176.6 | 179.8 | 0 | 112.1 | L87 E90 N127 E129 N133 K134 E150 | L87-K131 HydrophobicContact CD2-CB 4.42Å; L87-K131 HydrophobicContact CD2-CD 4.25Å; L87-K131 PolarHBondContact O-NZ 2.98Å; E90-K131 WeakPolarHBondContact OE1-CE 3.46Å; E90-K131 IonicContact OE1-NZ 2.66Å; E90-K131 PolarHBondContact OE1-NZ 3.49Å; N127-K131 WeakPolarHBondContact ND2-CE 3.49Å; N127-K131 PolarHBondContact ND2-NZ 2.87Å; E129-K131 PolarHBondContact O-N 2.96Å; K131-N133 PolarHBondContact O-N 3.5Å; K131-N133 VanDerWaalsContact O-N 3.12Å; K131-K134 WeakPolarHBondContact O-CB 3.21Å; K131-K134 PolarHBondContact O-N 3.17Å; K131-E150 PolarHBondContact N-OE1 3.32Å | ||
| 132 | L | 78.3 | Confident | 82.4 | Confident | 66 Ų | 66 | 68.8 Ų | 68.8 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -51.7 | -35.7 | 177.6 | -71.8 | 171.5 | 0 | 0 | 0 | 113.3 | S130 K134 M135 L136 C148 E150 | S130-L132 VanDerWaalsContact C-N 3.34Å; S130-L132 WeakPolarHBondContact OG-CD1 3.35Å; S130-L132 VanDerWaalsContact OG-CG 3.32Å; S130-L132 WeakPolarHBondContact OG-CG 3.47Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 3.18Å; L132-M135 VanDerWaalsContact O-CB 3.23Å; L132-M135 WeakPolarHBondContact O-CB 3.41Å; L132-M135 PolarHBondContact O-N 3.1Å; L132-L136 PolarHBondContact O-N 3.02Å; L132-C148 HydrophobicContact CD2-CB 3.97Å; L132-E150 HydrophobicContact CD2-CG 4.28Å; L132-E150 HydrophobicContact CG-CG 4.27Å; L132-E150 PolarHBondContact N-OE1 2.83Å |
| 133 | N | 80.1 | Confident | 81.7 | Confident | 132 Ų | 132 | 72.9 Ų | 72.9 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.3 | -30.1 | 177 | -70.3 | -31.8 | 0 | 0 | 0 | 113.4 | K131 M135 | K131-N133 PolarHBondContact O-N 3.5Å; K131-N133 VanDerWaalsContact O-N 3.12Å; N133-M135 PolarHBondContact O-N 3.3Å |
| 134 | K | 80.1 | Confident | 81.2 | Confident | 101 Ų | 101 | 72.3 Ų | 72.3 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73 | -16.5 | 174.1 | -62.6 | -176.5 | 178.6 | -178.2 | 0 | 112.2 | E90 F93 K131 L132 P137 | E90-K134 IonicContact OE1-NZ 3.2Å; E90-K134 PolarHBondContact OE1-NZ 2.51Å; E90-K134 IonicContact OE2-NZ 3.32Å; E90-K134 PolarHBondContact OE2-NZ 2.94Å; F93-K134 HydrophobicContact CE1-CB 4.31Å; F93-K134 HydrophobicContact CZ-CB 4.43Å; K131-K134 WeakPolarHBondContact O-CB 3.21Å; K131-K134 PolarHBondContact O-N 3.17Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 3.18Å; K134-P137 WeakPolarHBondContact O-CD 3.49Å |
| 135 | M | 79.1 | Confident | 81 | Confident | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.025 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -85.6 | -28.1 | -177.8 | -56.1 | -71.5 | 161.3 | 0 | 0 | 113 | H85 F93 I119 L132 N133 P137 L138 M139 C148 | H85-M135 VanDerWaalsContact NE2-CE 3.31Å; H85-M135 WeakPolarHBondContact NE2-CE 3.07Å; F93-M135 HydrophobicContact CD2-CE 3.43Å; F93-M135 VanDerWaalsContact CD2-CE 3.43Å; F93-M135 HydrophobicContact CD2-SD 4.11Å; F93-M135 HydrophobicContact CE2-CE 3.06Å; F93-M135 HydrophobicContact CE2-SD 3.2Å; F93-M135 WeakPolarHBondContact CE2-SD 3.42Å; F93-M135 HydrophobicContact CG-CE 4.4Å; F93-M135 HydrophobicContact CZ-CE 3.7Å; F93-M135 HydrophobicContact CZ-SD 3.74Å; I119-M135 HydrophobicContact CG2-SD 4.05Å; L132-M135 VanDerWaalsContact O-CB 3.23Å; L132-M135 WeakPolarHBondContact O-CB 3.41Å; L132-M135 PolarHBondContact O-N 3.1Å; N133-M135 PolarHBondContact O-N 3.3Å; M135-P137 VanDerWaalsContact C-CD 3.46Å; M135-P137 VanDerWaalsContact C-N 3.32Å; M135-L138 WeakPolarHBondContact O-CA 3.27Å; M135-L138 WeakPolarHBondContact O-CB 3.15Å; M135-L138 PolarHBondContact O-N 3.09Å; M135-M139 PolarHBondContact O-N 3.41Å; M135-C148 HydrophobicContact CB-CB 4.37Å; M135-C148 HydrophobicContact CG-CB 4.34Å |
| 136 | L | 79.1 | Confident | 80.6 | Confident | 105 Ų | 105 | 71 Ų | 71 | 55% | 0.55 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -52.7 | -41.9 | -177.3 | -65.8 | 172 | 0 | 0 | 0 | 113.4 | L132 M139 S140 | L132-L136 PolarHBondContact O-N 3.02Å; L136-M139 PolarHBondContact O-N 3.49Å; L136-S140 PolarHBondContact O-N 3.33Å; L136-S140 VanDerWaalsContact O-N 3.13Å |
| 137 | P | 82.9 | Confident | 80.4 | Confident | 75 Ų | 75 | 68 Ų | 68 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174 | -22.8 | 35 | 0 | 0 | 0 | 113.1 | K134 M135 M139 S140 E141 | K134-P137 WeakPolarHBondContact O-CD 3.49Å; M135-P137 VanDerWaalsContact C-CD 3.46Å; M135-P137 VanDerWaalsContact C-N 3.32Å; P137-M139 PolarHBondContact O-N 2.62Å; P137-S140 WeakPolarHBondContact CA-OG 3.34Å; P137-S140 PolarHBondContact O-N 3.22Å; P137-S140 VanDerWaalsContact O-N 3.13Å; P137-S140 PolarHBondContact O-OG 3.49Å; P137-E141 PolarHBondContact O-N 3.28Å |
| 138 | L | 80.6 | Confident | 80.8 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 178.5 | -67.7 | 179.2 | 0 | 0 | 0 | 111.8 | F93 M135 S140 E141 Y142 | F93-L138 HydrophobicContact CE2-CD1 3.5Å; F93-L138 VanDerWaalsContact CE2-CD1 3.5Å; F93-L138 HydrophobicContact CZ-CD1 3.43Å; F93-L138 VanDerWaalsContact CZ-CD1 3.43Å; F93-L138 HydrophobicContact CZ-CG 4.46Å; M135-L138 WeakPolarHBondContact O-CA 3.27Å; M135-L138 WeakPolarHBondContact O-CB 3.15Å; M135-L138 PolarHBondContact O-N 3.09Å; L138-S140 PolarHBondContact O-N 2.8Å; L138-E141 PolarHBondContact O-N 3.2Å; L138-Y142 HydrophobicContact CD2-CE2 4.41Å; L138-Y142 PolarHBondContact O-N 3.45Å |
| 139 | M | 79.7 | Confident | 81.5 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 30% | 0.3 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -31.3 | 174.7 | -64.4 | -176.7 | 71.8 | 0 | 0 | 112.2 | M135 L136 P137 V145 E146 C148 | M135-M139 PolarHBondContact O-N 3.41Å; L136-M139 PolarHBondContact O-N 3.49Å; P137-M139 PolarHBondContact O-N 2.62Å; M139-V145 HydrophobicContact CG-CG1 3.88Å; M139-E146 VanDerWaalsContact CE-O 3.31Å; M139-E146 WeakPolarHBondContact CE-O 3.49Å; M139-C148 VanDerWaalsContact SD-SG 3.69Å |
| 140 | S | 76 | Confident | 82.2 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 72% | 0.72 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -77.1 | -29.4 | 176.5 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | L136 P137 L138 | L136-S140 PolarHBondContact O-N 3.33Å; L136-S140 VanDerWaalsContact O-N 3.13Å; P137-S140 WeakPolarHBondContact CA-OG 3.34Å; P137-S140 PolarHBondContact O-N 3.22Å; P137-S140 VanDerWaalsContact O-N 3.13Å; P137-S140 PolarHBondContact O-OG 3.49Å; L138-S140 PolarHBondContact O-N 2.8Å |
| 141 | E | 81.7 | Confident | 83.1 | Confident | 121 Ų | 121 | 51.8 Ų | 51.8 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -84.4 | -32.2 | 179 | -174.7 | 178.3 | -176.1 | 0 | 0 | 112.4 | R105 P137 L138 | R105-E141 PolarHBondContact NH2-O 2.8Å; P137-E141 PolarHBondContact O-N 3.28Å; L138-E141 PolarHBondContact O-N 3.2Å |
| 142 | Y | 83.2 | Confident | 84 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | trans | -119.5 | 94.4 | -178.2 | -62 | -94 | 0 | 0 | 0 | 110.7 | S97 L101 L138 E144 V145 | S97-Y142 PolarHBondContact O-OH 2.75Å; L101-Y142 HydrophobicContact CB-CD1 3.77Å; L101-Y142 HydrophobicContact CB-CE1 3.54Å; L101-Y142 HydrophobicContact CB-CG 4.4Å; L101-Y142 HydrophobicContact CD1-CD1 3.94Å; L101-Y142 HydrophobicContact CD1-CD2 3.62Å; L101-Y142 HydrophobicContact CD1-CE1 4.15Å; L101-Y142 HydrophobicContact CD1-CE2 3.84Å; L101-Y142 HydrophobicContact CD1-CG 3.68Å; L101-Y142 HydrophobicContact CD2-CD1 4.4Å; L101-Y142 HydrophobicContact CG-CD1 4.26Å; L101-Y142 HydrophobicContact CG-CE1 4.4Å; L101-Y142 HydrophobicContact CG-CG 4.44Å; L138-Y142 HydrophobicContact CD2-CE2 4.41Å; L138-Y142 PolarHBondContact O-N 3.45Å; Y142-E144 PolarHBondContact O-N 3.05Å; Y142-E144 VanDerWaalsContact O-N 3.12Å; Y142-V145 WeakPolarHBondContact O-CB 3.48Å; Y142-V145 PolarHBondContact O-N 3.27Å | ||
| 143 | C | 78.9 | Confident | 84.5 | Confident | 90 Ų | 90 | 47.4 Ų | 47.4 | 61% | 0.608 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.7 | 179.3 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | V145 | C143-V145 PolarHBondContact O-N 3.5Š|
| 144 | E | 84.1 | Confident | 85.1 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -22.8 | 173.9 | -54.8 | 86.9 | 160.2 | 0 | 0 | 112.8 | R105 H114 I117 Y142 E146 | R105-E144 IonicContact CZ-OE1 2.75Å; R105-E144 IonicContact CZ-OE2 3.93Å; R105-E144 IonicContact NE-OE1 3.44Å; R105-E144 PolarHBondContact NE-OE1 2.81Å; R105-E144 IonicContact NE-OE2 2.75Å; R105-E144 PolarHBondContact NE-OE2 3.21Å; R105-E144 IonicContact NH2-OE1 2.91Å; R105-E144 PolarHBondContact NH2-OE1 2.88Å; R105-E144 IonicContact NH2-OE2 3.79Å; R105-E144 PolarHBondContact NH2-OE2 3.09Å; H114-E144 WeakPolarHBondContact NE2-CA 3.45Å; I117-E144 HydrophobicContact CD1-CB 4Å; I117-E144 HydrophobicContact CG1-CB 4.25Å; I117-E144 PolarHBondContact N-O 2.96Å; Y142-E144 PolarHBondContact O-N 3.05Å; Y142-E144 VanDerWaalsContact O-N 3.12Å; E144-E146 PolarHBondContact O-N 2.88Å |
| 145 | V | 87.5 | Confident | 85.6 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 98.4 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | L101 I117 I119 M139 Y142 C143 | L101-V145 HydrophobicContact CD1-CG2 4.34Å; L101-V145 HydrophobicContact CD2-CG2 3.85Å; I117-V145 HydrophobicContact CB-CG2 4.35Å; I117-V145 HydrophobicContact CG2-CG2 4.3Å; I117-V145 WeakPolarHBondContact O-CA 3.06Å; I119-V145 HydrophobicContact CD1-CG1 3.6Å; I119-V145 HydrophobicContact CD1-CG2 4.15Å; I119-V145 HydrophobicContact CG1-CG1 3.85Å; M139-V145 HydrophobicContact CG-CG1 3.88Å; Y142-V145 WeakPolarHBondContact O-CB 3.48Å; Y142-V145 PolarHBondContact O-N 3.27Å; C143-V145 PolarHBondContact O-N 3.5Å |
| 146 | E | 82.1 | Confident | 86.1 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -43.5 | -177.4 | -70.7 | -149.9 | 141.4 | 0 | 0 | 112.4 | P116 I117 M139 E144 A169 T174 | P116-E146 HydrophobicContact CB-CG 4.02Å; I117-E146 PolarHBondContact O-N 3.09Å; M139-E146 VanDerWaalsContact CE-O 3.31Å; M139-E146 WeakPolarHBondContact CE-O 3.49Å; E144-E146 PolarHBondContact O-N 2.88Å; E146-A169 WeakPolarHBondContact OE2-CA 3.46Å; E146-A169 WeakPolarHBondContact OE2-CB 3.49Å; E146-T174 PolarHBondContact OE1-N 2.89Å; E146-T174 PolarHBondContact OE1-OG1 2.9Å |
| 147 | T | 86.3 | Confident | 86.7 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 24% | 0.239 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 152.8 | -174.3 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | V118 I119 | V118-T147 WeakPolarHBondContact CA-O 3.49Å; I119-T147 PolarHBondContact N-O 2.89Å |
| 148 | C | 89.7 | Confident | 87.1 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.5 | 171.6 | -57.9 | 0 | 0 | 0 | 0 | 108.9 | I119 L132 M135 M139 | I119-C148 HydrophobicContact CB-CB 4.38Å; I119-C148 CarbonylContact O-C 3.5Å; I119-C148 WeakPolarHBondContact O-CA 3.49Å; L132-C148 HydrophobicContact CD2-CB 3.97Å; M135-C148 HydrophobicContact CB-CB 4.37Å; M135-C148 HydrophobicContact CG-CB 4.34Å; M139-C148 VanDerWaalsContact SD-SG 3.69Å |
| 149 | I | 91.9 | Very high | 87.6 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.1 | 178.5 | -174.5 | 158.2 | 0 | 0 | 0 | 110.5 | V118 I119 V120 G121 N158 E161 T162 F165 | V118-I149 HydrophobicContact CG1-CG2 4.06Å; I119-I149 PolarHBondContact O-N 3.44Å; V120-I149 CarbonylContact C-O 3.38Å; V120-I149 WeakPolarHBondContact CA-O 3.39Å; V120-I149 HydrophobicContact CG1-CG2 4.47Å; V120-I149 HydrophobicContact CG2-CG2 4.15Å; G121-I149 PolarHBondContact N-O 3.41Å; I149-N158 HydrophobicContact CD1-CB 4.06Å; I149-N158 HydrophobicContact CG1-CB 4.21Å; I149-E161 HydrophobicContact CD1-CB 3.74Å; I149-T162 HydrophobicContact CG2-CG2 4.02Å; I149-F165 HydrophobicContact CD1-CD2 3.59Å; I149-F165 HydrophobicContact CD1-CE2 3.74Å |
| 150 | E | 93.6 | Very high | 88 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.5 | 173.1 | -65.4 | 177.1 | 151.7 | 0 | 0 | 108.9 | L87 G121 L124 S130 K131 L132 N158 | L87-E150 HydrophobicContact CD1-CB 4.39Å; L87-E150 HydrophobicContact CD1-CG 4.46Å; L87-E150 HydrophobicContact CD2-CG 4.39Å; G121-E150 CarbonylContact O-C 3.15Å; G121-E150 VanDerWaalsContact O-CA 3.28Å; G121-E150 WeakPolarHBondContact O-CA 3.21Å; L124-E150 HydrophobicContact CD1-CB 4.25Å; L124-E150 HydrophobicContact CD2-CB 4.19Å; S130-E150 WeakPolarHBondContact CA-OE1 3.45Å; S130-E150 WeakPolarHBondContact CA-OE2 3.41Å; S130-E150 VanDerWaalsContact CB-OE2 3.28Å; S130-E150 WeakPolarHBondContact CB-OE2 3.28Å; S130-E150 PolarHBondContact OG-OE1 3.28Å; S130-E150 PolarHBondContact OG-OE2 3.29Å; K131-E150 PolarHBondContact N-OE1 3.32Å; L132-E150 HydrophobicContact CD2-CG 4.28Å; L132-E150 HydrophobicContact CG-CG 4.27Å; L132-E150 PolarHBondContact N-OE1 2.83Å; E150-N158 VanDerWaalsContact O-CB 3.3Å; E150-N158 WeakPolarHBondContact O-CB 3.49Å; E150-N158 PolarHBondContact O-ND2 3.18Å |
| 151 | C | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -140.7 | 168.8 | -175.4 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | V120 G121 N122 K123 L124 L157 N158 | V120-C151 WeakPolarHBondContact CG1-SG 3.41Å; G121-C151 PolarHBondContact O-N 3.23Å; N122-C151 CarbonylContact C-O 3.52Å; N122-C151 VanDerWaalsContact CA-O 3.32Å; N122-C151 WeakPolarHBondContact CA-O 3.38Å; K123-C151 PolarHBondContact N-O 2.99Å; K123-C151 VanDerWaalsContact N-O 3.11Å; L124-C151 VanDerWaalsContact CB-O 3.27Å; L124-C151 WeakPolarHBondContact CB-O 3.49Å; L124-C151 PolarHBondContact N-O 3Å; C151-L157 WeakPolarHBondContact CA-O 3.26Å; C151-L157 WeakPolarHBondContact CB-O 3.44Å; C151-N158 HydrophobicContact CB-CB 3.85Å | ||
| 152 | S | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -136.5 | 109.2 | 172.5 | 168.4 | 0 | 0 | 0 | 0 | 109.5 | D125 K154 T155 M156 L157 | D125-S152 WeakPolarHBondContact CB-OG 3.48Å; D125-S152 VanDerWaalsContact CG-OG 3.32Å; D125-S152 WeakPolarHBondContact OD1-CB 3.42Å; D125-S152 PolarHBondContact OD1-OG 3.19Å; S152-K154 PolarHBondContact O-N 2.96Å; S152-K154 PolarHBondContact OG-N 3.47Å; S152-T155 WeakPolarHBondContact CB-OG1 3.42Å; S152-T155 PolarHBondContact O-N 3.45Å; S152-T155 PolarHBondContact OG-N 3.46Å; S152-T155 PolarHBondContact OG-OG1 3.24Å; S152-M156 WeakPolarHBondContact O-CA 3.3Å; S152-M156 PolarHBondContact O-N 3.39Å; S152-L157 PolarHBondContact N-O 3.22Å; S152-L157 PolarHBondContact O-N 3.25Å |
| 153 | A | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T22 L23 S26 N122 | T22-A153 HydrophobicContact CG2-CB 3.77Å; L23-A153 HydrophobicContact CD2-CB 3.76Å; L23-A153 HydrophobicContact CG-CB 4.15Å; S26-A153 PolarHBondContact OG-O 2.97Å; N122-A153 PolarHBondContact OD1-N 2.96Å; N122-A153 VanDerWaalsContact OD1-N 3.14Å |
| 154 | K | 90.9 | Very high | 89.9 | Confident | 117 Ų | 117 | 39.5 Ų | 39.5 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -39.9 | -178.1 | -173.2 | -172.4 | -178.6 | -176.2 | 0 | 113 | F32 D125 S152 | F32-K154 HydrophobicContact CD1-CG 4.1Å; F32-K154 HydrophobicContact CD2-CB 3.98Å; F32-K154 HydrophobicContact CD2-CG 4.08Å; F32-K154 HydrophobicContact CE1-CG 4.28Å; F32-K154 HydrophobicContact CE2-CB 4.14Å; F32-K154 HydrophobicContact CE2-CG 4.24Å; F32-K154 HydrophobicContact CG-CB 4.35Å; F32-K154 HydrophobicContact CG-CG 3.99Å; F32-K154 HydrophobicContact CZ-CG 4.34Å; D125-K154 WeakPolarHBondContact OD2-CD 3.18Å; S152-K154 PolarHBondContact O-N 2.96Å; S152-K154 PolarHBondContact OG-N 3.47Å |
| 155 | T | 90.7 | Very high | 90.2 | Very high | 82 Ų | 82 | 41.4 Ų | 41.4 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -2 | -179.1 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | D125 S152 L157 | D125-T155 HydrophobicContact CB-CG2 3.91Å; S152-T155 WeakPolarHBondContact CB-OG1 3.42Å; S152-T155 PolarHBondContact O-N 3.45Å; S152-T155 PolarHBondContact OG-N 3.46Å; S152-T155 PolarHBondContact OG-OG1 3.24Å; T155-L157 PolarHBondContact O-N 2.91Å |
| 156 | M | 90 | Very high | 90.3 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 28% | 0.276 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 11 | -173.3 | -52.7 | -63.7 | -179.9 | 0 | 0 | 114.6 | S26 E30 E31 S152 N158 L159 | S26-M156 VanDerWaalsContact CB-CE 3.49Å; S26-M156 VanDerWaalsContact CB-SD 3.6Å; S26-M156 WeakPolarHBondContact O-CE 3.41Å; E30-M156 VanDerWaalsContact C-CE 3.46Å; E31-M156 VanDerWaalsContact N-CE 3.31Å; S152-M156 WeakPolarHBondContact O-CA 3.3Å; S152-M156 PolarHBondContact O-N 3.39Å; M156-N158 PolarHBondContact O-N 3.13Å; M156-L159 PolarHBondContact O-N 3.12Å; M156-L159 HydrophobicContact SD-CD2 3.52Å; M156-L159 VanDerWaalsContact SD-CD2 3.52Å |
| 157 | L | 92.1 | Very high | 90.7 | Very high | 87 Ų | 87 | 40 Ų | 40 | 46% | 0.455 | 21% | 0.206 | S | C | . | . | B | Isolated β-bridge | trans | -69.6 | 129.6 | -179.7 | -175.5 | 66.4 | 0 | 0 | 0 | 110.9 | L124 C151 S152 T155 L159 | L124-L157 HydrophobicContact CD2-CD2 3.76Å; C151-L157 WeakPolarHBondContact CA-O 3.26Å; C151-L157 WeakPolarHBondContact CB-O 3.44Å; S152-L157 PolarHBondContact N-O 3.22Å; S152-L157 PolarHBondContact O-N 3.25Å; T155-L157 PolarHBondContact O-N 2.91Å; L157-L159 PolarHBondContact O-N 3.25Å; L157-L159 VanDerWaalsContact O-N 3.16Å |
| 158 | N | 90.9 | Very high | 90.6 | Very high | 51 Ų | 51 | 39.8 Ų | 39.8 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 17.4 | 179.8 | -65.2 | -21.2 | 0 | 0 | 0 | 114.6 | I149 E150 C151 M156 E161 T162 | I149-N158 HydrophobicContact CD1-CB 4.06Å; I149-N158 HydrophobicContact CG1-CB 4.21Å; E150-N158 VanDerWaalsContact O-CB 3.3Å; E150-N158 WeakPolarHBondContact O-CB 3.49Å; E150-N158 PolarHBondContact O-ND2 3.18Å; C151-N158 HydrophobicContact CB-CB 3.85Å; M156-N158 PolarHBondContact O-N 3.13Å; N158-E161 VanDerWaalsContact C-OE2 3.23Å; N158-E161 WeakPolarHBondContact CA-OE2 3.46Å; N158-T162 PolarHBondContact O-N 2.81Å; N158-T162 VanDerWaalsContact O-N 3.09Å; N158-T162 PolarHBondContact O-OG1 2.87Å |
| 159 | L | 91.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.5 | -55.2 | -176 | -176 | 60.6 | 0 | 0 | 0 | 110.9 | L23 L27 M156 L157 E161 T162 F163 | L23-L159 HydrophobicContact CB-CD1 4.11Å; L23-L159 HydrophobicContact CD2-CD1 3.42Å; L23-L159 VanDerWaalsContact CD2-CD1 3.42Å; L23-L159 HydrophobicContact CG-CD1 4.39Å; L27-L159 HydrophobicContact CB-CD2 4.11Å; L27-L159 HydrophobicContact CB-CG 4.41Å; L27-L159 HydrophobicContact CD1-CD2 4.43Å; L27-L159 HydrophobicContact CD1-CG 4.2Å; M156-L159 PolarHBondContact O-N 3.12Å; M156-L159 HydrophobicContact SD-CD2 3.52Å; M156-L159 VanDerWaalsContact SD-CD2 3.52Å; L157-L159 PolarHBondContact O-N 3.25Å; L157-L159 VanDerWaalsContact O-N 3.16Å; L159-E161 VanDerWaalsContact C-N 3.28Å; L159-E161 PolarHBondContact O-N 2.83Å; L159-T162 WeakPolarHBondContact O-CB 3.3Å; L159-T162 PolarHBondContact O-N 2.92Å; L159-F163 HydrophobicContact CD1-CE2 3.82Å; L159-F163 HydrophobicContact CG-CE2 4.3Å; L159-F163 WeakPolarHBondContact O-CD2 3.2Å |
| 160 | S | 89.2 | Confident | 90.2 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 55% | 0.552 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -62.3 | -38.4 | 177.6 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | T162 F163 W164 | S160-T162 VanDerWaalsContact C-N 3.3Å; S160-T162 PolarHBondContact O-N 2.83Å; S160-F163 PolarHBondContact O-N 2.99Å; S160-W164 VanDerWaalsContact O-CB 3.28Å; S160-W164 WeakPolarHBondContact O-CB 3.49Å; S160-W164 PolarHBondContact O-N 2.85Å |
| 161 | E | 89.7 | Confident | 89.8 | Confident | 82 Ų | 82 | 37.6 Ų | 37.6 | 38% | 0.383 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.6 | -38.5 | 177 | -67.7 | 82.1 | 172.2 | 0 | 0 | 111.5 | I149 N158 L159 W164 F165 | I149-E161 HydrophobicContact CD1-CB 3.74Å; N158-E161 VanDerWaalsContact C-OE2 3.23Å; N158-E161 WeakPolarHBondContact CA-OE2 3.46Å; L159-E161 VanDerWaalsContact C-N 3.28Å; L159-E161 PolarHBondContact O-N 2.83Å; E161-W164 WeakPolarHBondContact O-CB 3.35Å; E161-W164 PolarHBondContact O-N 2.83Å; E161-F165 HydrophobicContact CB-CD2 4.35Å; E161-F165 HydrophobicContact CB-CE2 4.26Å; E161-F165 WeakPolarHBondContact O-CB 3.47Å; E161-F165 WeakPolarHBondContact O-CD2 3.47Å; E161-F165 PolarHBondContact O-N 3.49Å |
| 162 | T | 90.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.5 | -51.4 | 177.9 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | V120 I149 N158 L159 S160 W164 F165 A166 | V120-T162 HydrophobicContact CB-CG2 4.33Å; V120-T162 HydrophobicContact CG1-CG2 3.84Å; V120-T162 HydrophobicContact CG2-CG2 3.47Å; V120-T162 VanDerWaalsContact CG2-CG2 3.47Å; I149-T162 HydrophobicContact CG2-CG2 4.02Å; N158-T162 PolarHBondContact O-N 2.81Å; N158-T162 VanDerWaalsContact O-N 3.09Å; N158-T162 PolarHBondContact O-OG1 2.87Å; L159-T162 WeakPolarHBondContact O-CB 3.3Å; L159-T162 PolarHBondContact O-N 2.92Å; S160-T162 VanDerWaalsContact C-N 3.3Å; S160-T162 PolarHBondContact O-N 2.83Å; T162-W164 VanDerWaalsContact C-N 3.32Å; T162-W164 PolarHBondContact O-N 2.79Å; T162-F165 PolarHBondContact O-N 3.38Å; T162-A166 PolarHBondContact O-N 2.66Å |
| 163 | F | 91.3 | Very high | 88.9 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 6% | 0.057 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.9 | -32.5 | 178.7 | -63 | -73.8 | 0 | 0 | 0 | 112 | I10 L12 L27 I58 L159 S160 A166 Q167 | I10-F163 HydrophobicContact CD1-CB 4.37Å; I10-F163 HydrophobicContact CD1-CD1 4.02Å; I10-F163 HydrophobicContact CG2-CD1 4.47Å; L12-F163 HydrophobicContact CD1-CE1 4.14Å; L27-F163 HydrophobicContact CB-CE2 4.18Å; L27-F163 HydrophobicContact CD1-CD2 4.02Å; L27-F163 HydrophobicContact CD1-CE2 4.24Å; L27-F163 HydrophobicContact CD2-CD2 3.58Å; L27-F163 HydrophobicContact CD2-CE2 3.61Å; L27-F163 HydrophobicContact CD2-CG 4.11Å; L27-F163 HydrophobicContact CD2-CZ 4.15Å; L27-F163 HydrophobicContact CG-CD2 4.32Å; L27-F163 HydrophobicContact CG-CE2 4.23Å; I58-F163 HydrophobicContact CD1-CD1 3.64Å; I58-F163 HydrophobicContact CD1-CE1 3.65Å; I58-F163 HydrophobicContact CD1-CG 4.18Å; I58-F163 HydrophobicContact CD1-CZ 4.23Å; I58-F163 HydrophobicContact CG1-CD1 4.12Å; I58-F163 HydrophobicContact CG1-CE1 4.13Å; I58-F163 HydrophobicContact CG2-CE1 3.79Å; I58-F163 HydrophobicContact CG2-CZ 4.47Å; L159-F163 HydrophobicContact CD1-CE2 3.82Å; L159-F163 HydrophobicContact CG-CE2 4.3Å; L159-F163 WeakPolarHBondContact O-CD2 3.2Å; S160-F163 PolarHBondContact O-N 2.99Å; F163-A166 PolarHBondContact O-N 3.04Å; F163-Q167 WeakPolarHBondContact O-CB 3.2Å; F163-Q167 PolarHBondContact O-N 2.88Å |
| 164 | W | 88 | Confident | 88.4 | Confident | 85 Ų | 85 | 40.1 Ų | 40.1 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 174.3 | 179 | 78.4 | 0 | 0 | 0 | 112.5 | S160 E161 T162 A166 Q167 K168 | S160-W164 VanDerWaalsContact O-CB 3.28Å; S160-W164 WeakPolarHBondContact O-CB 3.49Å; S160-W164 PolarHBondContact O-N 2.85Å; E161-W164 WeakPolarHBondContact O-CB 3.35Å; E161-W164 PolarHBondContact O-N 2.83Å; T162-W164 VanDerWaalsContact C-N 3.32Å; T162-W164 PolarHBondContact O-N 2.79Å; W164-A166 VanDerWaalsContact C-N 3.35Å; W164-Q167 PolarHBondContact O-N 3.1Å; W164-K168 HydrophobicContact CD2-CD 4.26Å; W164-K168 HydrophobicContact CD2-CG 4.48Å; W164-K168 VanDerWaalsContact CE2-CE 3.43Å; W164-K168 HydrophobicContact CE3-CD 4.37Å; W164-K168 HydrophobicContact CH2-CD 3.79Å; W164-K168 HydrophobicContact CZ2-CD 3.64Å; W164-K168 HydrophobicContact CZ3-CD 4.14Å; W164-K168 PolarHBondContact O-N 3.45Å |
| 165 | F | 88.8 | Confident | 87.7 | Confident | 73 Ų | 73 | 36.3 Ų | 36.3 | 32% | 0.32 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 173.9 | -80.1 | -63.9 | 0 | 0 | 0 | 111.5 | I149 E161 T162 Q167 K168 A169 | I149-F165 HydrophobicContact CD1-CD2 3.59Å; I149-F165 HydrophobicContact CD1-CE2 3.74Å; E161-F165 HydrophobicContact CB-CD2 4.35Å; E161-F165 HydrophobicContact CB-CE2 4.26Å; E161-F165 WeakPolarHBondContact O-CB 3.47Å; E161-F165 WeakPolarHBondContact O-CD2 3.47Å; E161-F165 PolarHBondContact O-N 3.49Å; T162-F165 PolarHBondContact O-N 3.38Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.95Å; F165-K168 PolarHBondContact O-N 3.42Å; F165-A169 WeakPolarHBondContact O-CB 3.02Å; F165-A169 PolarHBondContact O-N 3.3Å |
| 166 | A | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I10 V80 V118 T162 F163 W164 A169 | I10-A166 HydrophobicContact CD1-CB 3.97Å; I10-A166 HydrophobicContact CG1-CB 4.42Å; I10-A166 HydrophobicContact CG2-CB 4.25Å; V80-A166 HydrophobicContact CG1-CB 3.99Å; V80-A166 HydrophobicContact CG2-CB 4Å; V118-A166 HydrophobicContact CG2-CB 4.17Å; T162-A166 PolarHBondContact O-N 2.66Å; F163-A166 PolarHBondContact O-N 3.04Å; W164-A166 VanDerWaalsContact C-N 3.35Å; A166-A169 PolarHBondContact O-N 3.3Å |
| 167 | Q | 89.4 | Confident | 86.8 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.7 | -51.4 | 173.7 | -163.8 | -175.7 | 46.2 | 0 | 0 | 110.4 | V8 T56 F163 W164 F165 A169 V170 L171 | V8-Q167 HydrophobicContact CG2-CG 4.17Å; T56-Q167 PolarHBondContact OG1-NE2 2.96Å; F163-Q167 WeakPolarHBondContact O-CB 3.2Å; F163-Q167 PolarHBondContact O-N 2.88Å; W164-Q167 PolarHBondContact O-N 3.1Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.95Å; Q167-A169 VanDerWaalsContact C-N 3.28Å; Q167-A169 PolarHBondContact O-N 3.27Å; Q167-V170 WeakPolarHBondContact O-CB 3.48Å; Q167-V170 PolarHBondContact O-N 2.91Å; Q167-L171 HydrophobicContact CG-CD1 3.95Å; Q167-L171 HydrophobicContact CG-CG 4.31Å; Q167-L171 WeakPolarHBondContact O-CG 3.39Å; Q167-L171 PolarHBondContact O-N 3.12Å; Q167-L171 VanDerWaalsContact O-N 3.16Å |
| 168 | K | 86 | Confident | 85.9 | Confident | 34 Ų | 34 | 33.7 Ų | 33.7 | 15% | 0.148 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57 | -38.1 | -179.9 | -80.6 | -158.6 | 164.4 | -170.9 | 0 | 113.8 | W164 F165 V170 L171 Y172 E265 | W164-K168 HydrophobicContact CD2-CD 4.26Å; W164-K168 HydrophobicContact CD2-CG 4.48Å; W164-K168 VanDerWaalsContact CE2-CE 3.43Å; W164-K168 HydrophobicContact CE3-CD 4.37Å; W164-K168 HydrophobicContact CH2-CD 3.79Å; W164-K168 HydrophobicContact CZ2-CD 3.64Å; W164-K168 HydrophobicContact CZ3-CD 4.14Å; W164-K168 PolarHBondContact O-N 3.45Å; F165-K168 PolarHBondContact O-N 3.42Å; K168-V170 PolarHBondContact O-N 3.45Å; K168-L171 PolarHBondContact O-N 2.92Å; K168-L171 VanDerWaalsContact O-N 3.16Å; K168-Y172 HydrophobicContact CB-CD2 4.3Å; K168-Y172 HydrophobicContact CD-CD2 4.47Å; K168-Y172 HydrophobicContact CG-CD2 4.15Å; K168-Y172 HydrophobicContact CG-CE2 4.32Å; K168-Y172 PolarHBondContact O-N 2.96Å; K168-E265 IonicContact NZ-OE1 3.24Å; K168-E265 IonicContact NZ-OE2 3.57Å; K168-E265 PolarHBondContact NZ-OE2 3.26Å |
| 169 | A | 86.7 | Confident | 84.5 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.4 | -35 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V80 P116 E146 F165 A166 Q167 | V80-A169 HydrophobicContact CG2-CB 4.36Å; P116-A169 HydrophobicContact CB-CB 3.86Å; P116-A169 HydrophobicContact CG-CB 4.16Å; E146-A169 WeakPolarHBondContact OE2-CA 3.46Å; E146-A169 WeakPolarHBondContact OE2-CB 3.49Å; F165-A169 WeakPolarHBondContact O-CB 3.02Å; F165-A169 PolarHBondContact O-N 3.3Å; A166-A169 PolarHBondContact O-N 3.3Å; Q167-A169 VanDerWaalsContact C-N 3.28Å; Q167-A169 PolarHBondContact O-N 3.27Å |
| 170 | V | 86.6 | Confident | 82.3 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -78.5 | -40.2 | 176.2 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | V5 V8 N79 V80 P116 Q167 K168 N278 | V5-V170 HydrophobicContact CG1-CG1 4.35Å; V5-V170 HydrophobicContact CG2-CG1 4.3Å; V8-V170 HydrophobicContact CG1-CB 4.35Å; V8-V170 HydrophobicContact CG1-CG2 3.98Å; V8-V170 HydrophobicContact CG2-CG1 4.35Å; N79-V170 HydrophobicContact CB-CG1 3.93Å; N79-V170 HydrophobicContact CB-CG2 3.89Å; N79-V170 WeakPolarHBondContact O-CG2 3.44Å; V80-V170 HydrophobicContact CB-CG2 3.55Å; V80-V170 HydrophobicContact CG1-CG2 3.76Å; P116-V170 HydrophobicContact CG-CG2 4.22Å; Q167-V170 WeakPolarHBondContact O-CB 3.48Å; Q167-V170 PolarHBondContact O-N 2.91Å; K168-V170 PolarHBondContact O-N 3.45Å; V170-N278 PolarHBondContact O-ND2 2.68Å |
| 171 | L | 84 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.2 | -35.1 | -173.5 | -55.6 | -178.8 | 0 | 0 | 0 | 112.7 | S2 V8 E52 I54 Q167 K168 P173 | S2-L171 WeakPolarHBondContact OG-CD2 3.48Å; V8-L171 HydrophobicContact CG2-CD2 4.15Å; E52-L171 HydrophobicContact CB-CD1 3.64Å; E52-L171 HydrophobicContact CG-CD1 3.41Å; E52-L171 VanDerWaalsContact CG-CD1 3.41Å; I54-L171 HydrophobicContact CD1-CD1 3.78Å; I54-L171 HydrophobicContact CD1-CD2 3.41Å; I54-L171 VanDerWaalsContact CD1-CD2 3.41Å; I54-L171 HydrophobicContact CD1-CG 4.27Å; Q167-L171 HydrophobicContact CG-CD1 3.95Å; Q167-L171 HydrophobicContact CG-CG 4.31Å; Q167-L171 WeakPolarHBondContact O-CG 3.39Å; Q167-L171 PolarHBondContact O-N 3.12Å; Q167-L171 VanDerWaalsContact O-N 3.16Å; K168-L171 PolarHBondContact O-N 2.92Å; K168-L171 VanDerWaalsContact O-N 3.16Å; L171-P173 VanDerWaalsContact C-CD 3.45Å |
| 172 | Y | 85.2 | Confident | 79 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -130.6 | 56.3 | -171.8 | -51.1 | -63.7 | 0 | 0 | 0 | 111.3 | M1 E52 K168 T174 H264 E265 W268 | M1-Y172 HydrophobicContact CB-CE1 3.96Å; M1-Y172 VanDerWaalsContact CB-OH 3.27Å; M1-Y172 WeakPolarHBondContact CB-OH 3.4Å; M1-Y172 VanDerWaalsContact CG-OH 3.27Å; M1-Y172 WeakPolarHBondContact CG-OH 3.35Å; M1-Y172 HydrophobicContact SD-CE1 4.15Å; M1-Y172 PolarHBondContact SD-OH 2.83Å; M1-Y172 VanDerWaalsContact SD-OH 3.39Å; E52-Y172 VanDerWaalsContact CD-OH 3.25Å; E52-Y172 WeakPolarHBondContact OE1-CE2 3.26Å; E52-Y172 PolarHBondContact OE1-OH 3.38Å; E52-Y172 PolarHBondContact OE2-OH 3.19Å; K168-Y172 HydrophobicContact CB-CD2 4.3Å; K168-Y172 HydrophobicContact CD-CD2 4.47Å; K168-Y172 HydrophobicContact CG-CD2 4.15Å; K168-Y172 HydrophobicContact CG-CE2 4.32Å; K168-Y172 PolarHBondContact O-N 2.96Å; Y172-T174 PolarHBondContact O-N 2.78Å; Y172-H264 PolarHBondContact O-CD2 3.49Å; Y172-E265 HydrophobicContact CD1-CG 4.33Å; Y172-E265 HydrophobicContact CD2-CG 4.28Å; Y172-E265 HydrophobicContact CE1-CG 4.1Å; Y172-E265 HydrophobicContact CE2-CG 4.07Å; Y172-E265 HydrophobicContact CG-CG 4.4Å; Y172-W268 HydrophobicContact CD1-CB 3.63Å; Y172-W268 HydrophobicContact CD1-CG 4.04Å; Y172-W268 HydrophobicContact CE1-CB 4.34Å |
| 173 | P | 83.8 | Confident | 78.3 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 13% | 0.13 | 28% | 0.277 | C | S | . | . | trans | -58.8 | 136.8 | -171.9 | 26 | -34.7 | 0 | 0 | 0 | 110.8 | L171 P176 W268 N278 | L171-P173 VanDerWaalsContact C-CD 3.45Å; P173-P176 HydrophobicContact CB-CG 4.35Å; P173-P176 HydrophobicContact CG-CG 4.1Å; P173-W268 HydrophobicContact CG-CZ2 3.84Å; P173-W268 WeakPolarHBondContact O-CZ2 3.5Å; P173-W268 PolarHBondContact O-NE1 2.9Å; P173-N278 HydrophobicContact CG-CB 4.35Å | ||
| 174 | T | 80.4 | Confident | 78 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -80.4 | -30.8 | -177.7 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | E146 Y172 L177 Y178 | E146-T174 PolarHBondContact OE1-N 2.89Å; E146-T174 PolarHBondContact OE1-OG1 2.9Å; Y172-T174 PolarHBondContact O-N 2.78Å; T174-L177 WeakPolarHBondContact O-CB 3.13Å; T174-L177 PolarHBondContact O-N 3.46Å; T174-L177 VanDerWaalsContact O-N 3.12Å; T174-Y178 PolarHBondContact O-N 3.36Å; T174-Y178 VanDerWaalsContact O-N 3.13Å |
| 175 | A | 77.4 | Confident | 78 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.7 | -48.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L177 Y178 N179 | A175-L177 PolarHBondContact O-N 2.9Å; A175-Y178 PolarHBondContact O-N 3.4Å; A175-N179 WeakPolarHBondContact O-CB 3.4Å; A175-N179 PolarHBondContact O-N 3.11Å |
| 176 | P | 79.2 | Confident | 78.1 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -22 | 179.2 | -21 | 33.7 | 0 | 0 | 0 | 114.2 | P173 W268 N278 M280 | P173-P176 HydrophobicContact CB-CG 4.35Å; P173-P176 HydrophobicContact CG-CG 4.1Å; P176-W268 HydrophobicContact CB-CH2 4.3Å; P176-W268 HydrophobicContact CB-CZ2 4.12Å; P176-W268 HydrophobicContact CG-CZ2 4.21Å; P176-N278 WeakPolarHBondContact CG-O 3.39Å; P176-M280 HydrophobicContact CB-CG 3.83Å; P176-M280 HydrophobicContact CB-SD 4.28Å |
| 177 | L | 80.8 | Confident | 78 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -83.5 | -35.7 | 177.9 | -59.9 | -178 | 0 | 0 | 0 | 112.4 | T174 A175 I259 H264 T267 W268 L271 M280 | T174-L177 WeakPolarHBondContact O-CB 3.13Å; T174-L177 PolarHBondContact O-N 3.46Å; T174-L177 VanDerWaalsContact O-N 3.12Å; A175-L177 PolarHBondContact O-N 2.9Å; L177-I259 HydrophobicContact CB-CD1 4.14Å; L177-I259 HydrophobicContact CD1-CD1 4.22Å; L177-I259 HydrophobicContact CD1-CG1 4.16Å; L177-H264 HydrophobicContact CD1-CB 3.74Å; L177-T267 HydrophobicContact CD2-CG2 4.27Å; L177-W268 HydrophobicContact CD1-CG 4.44Å; L177-W268 HydrophobicContact CD2-CZ2 4.07Å; L177-W268 HydrophobicContact CG-CZ2 4.09Å; L177-L271 HydrophobicContact CD2-CD1 3.72Å; L177-M280 HydrophobicContact CD2-CE 4.47Å; L177-M280 HydrophobicContact CD2-SD 4.42Å |
| 178 | Y | 73.5 | Confident | 78.2 | Confident | 116 Ų | 116 | 62.1 Ų | 62.1 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -95.2 | -15.3 | -177 | -86.4 | -74.2 | 0 | 0 | 0 | 114.7 | T174 A175 A180 I259 Q260 | T174-Y178 PolarHBondContact O-N 3.36Å; T174-Y178 VanDerWaalsContact O-N 3.13Å; A175-Y178 PolarHBondContact O-N 3.4Å; Y178-A180 PolarHBondContact O-N 2.91Å; Y178-A180 VanDerWaalsContact O-N 3.16Å; Y178-I259 HydrophobicContact CD1-CG2 4.4Å; Y178-I259 HydrophobicContact CD2-CG2 3.82Å; Y178-I259 HydrophobicContact CE1-CG2 3.8Å; Y178-I259 HydrophobicContact CE2-CG2 3.12Å; Y178-I259 HydrophobicContact CG-CG2 4.42Å; Y178-I259 VanDerWaalsContact OH-C 3.3Å; Y178-I259 VanDerWaalsContact OH-CG2 3.26Å; Y178-I259 WeakPolarHBondContact OH-CG2 3.48Å; Y178-I259 PolarHBondContact OH-O 2.9Å; Y178-I259 VanDerWaalsContact OH-O 3.08Å; Y178-Q260 WeakPolarHBondContact OH-CA 3.39Å; Y178-Q260 PolarHBondContact OH-N 3.28Å |
| 179 | N | 61.3 | Low | 78.6 | Confident | 96 Ų | 96 | 60.8 Ų | 60.8 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | trans | -46.2 | 124.3 | -172.4 | -167.8 | -9.3 | 0 | 0 | 0 | 111.2 | A175 E181 K182 | A175-N179 WeakPolarHBondContact O-CB 3.4Å; A175-N179 PolarHBondContact O-N 3.11Å; N179-E181 PolarHBondContact O-N 2.83Å; N179-K182 PolarHBondContact O-N 3.09Å | ||
| 180 | A | 46.4 | Very low | 79 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 71% | 0.711 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y178 K182 | Y178-A180 PolarHBondContact O-N 2.91Å; Y178-A180 VanDerWaalsContact O-N 3.16Å; A180-K182 PolarHBondContact O-N 3.33Å |
| 181 | E | 52.2 | Low | 79.4 | Confident | 162 Ų | 162 | 61.5 Ų | 61.5 | 76% | 0.757 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -3.4 | 172.7 | -61.9 | -165.3 | 168.4 | 0 | 0 | 114.1 | N179 K183 | N179-E181 PolarHBondContact O-N 2.83Å; E181-K183 WeakPolarHBondContact O-CG 3.36Å; E181-K183 PolarHBondContact O-N 3.3Å |
| 182 | K | 58 | Low | 79.9 | Confident | 151 Ų | 151 | 61.5 Ų | 61.5 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | trans | 49.5 | -12.7 | 158.2 | -82.3 | -178.6 | 179.7 | 176.2 | 0 | 120.2 | N179 A180 I186 | N179-K182 PolarHBondContact O-N 3.09Å; A180-K182 PolarHBondContact O-N 3.33Å; K182-I186 HydrophobicContact CB-CD1 4.32Å; K182-I186 WeakPolarHBondContact O-CB 3.41Å; K182-I186 WeakPolarHBondContact O-CD1 3.38Å; K182-I186 WeakPolarHBondContact O-CG1 3.37Å | ||
| 183 | K | 75.6 | Confident | 80.4 | Confident | 175 Ų | 175 | 61.6 Ų | 61.6 | 76% | 0.761 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -82.4 | -35.3 | -166.6 | -71.4 | -179.7 | -177.5 | 178.8 | 0 | 112.4 | E181 R187 | E181-K183 WeakPolarHBondContact O-CG 3.36Å; E181-K183 PolarHBondContact O-N 3.3Å; K183-R187 WeakPolarHBondContact O-CB 3.48Å; K183-R187 PolarHBondContact O-N 2.85Å |
| 184 | E | 84.6 | Confident | 81 | Confident | 106 Ų | 106 | 63.3 Ų | 63.3 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.4 | -48.8 | -170.4 | -60.9 | -172.4 | 150.9 | 0 | 0 | 113.2 | I186 R187 A188 M280 | E184-I186 PolarHBondContact O-N 3.11Å; E184-R187 PolarHBondContact O-N 2.84Å; E184-A188 WeakPolarHBondContact O-CB 3.33Å; E184-A188 PolarHBondContact O-N 3.14Å; E184-M280 HydrophobicContact CB-CB 3.97Å |
| 185 | C | 87.5 | Confident | 81.6 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 10% | 0.095 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 176.5 | -170.9 | 0 | 0 | 0 | 0 | 112.3 | R187 A188 L189 M280 | C185-R187 VanDerWaalsContact C-N 3.33Å; C185-R187 PolarHBondContact O-N 3.27Å; C185-A188 PolarHBondContact O-N 3.22Å; C185-L189 WeakPolarHBondContact O-CB 3.28Å; C185-L189 WeakPolarHBondContact O-CG 2.84Å; C185-L189 PolarHBondContact O-N 2.64Å; C185-M280 HydrophobicContact CB-CE 3.54Å |
| 186 | I | 90.2 | Very high | 82.4 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 41% | 0.41 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 174.9 | -64.4 | 178 | 0 | 0 | 0 | 110.5 | K182 E184 T190 L252 | K182-I186 HydrophobicContact CB-CD1 4.32Å; K182-I186 WeakPolarHBondContact O-CB 3.41Å; K182-I186 WeakPolarHBondContact O-CD1 3.38Å; K182-I186 WeakPolarHBondContact O-CG1 3.37Å; E184-I186 PolarHBondContact O-N 3.11Å; I186-T190 WeakPolarHBondContact O-CB 3.19Å; I186-T190 PolarHBondContact O-N 2.97Å; I186-T190 PolarHBondContact O-OG1 3.02Å; I186-L252 HydrophobicContact CG2-CD1 4.03Å; I186-L252 HydrophobicContact CG2-CD2 4.35Å |
| 187 | R | 90.2 | Very high | 83.2 | Confident | 120 Ų | 120 | 58.6 Ų | 58.6 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.5 | -175.6 | -178.5 | -174 | 167 | 10.3 | 111.4 | K183 E184 C185 T190 R191 C336 | K183-R187 WeakPolarHBondContact O-CB 3.48Å; K183-R187 PolarHBondContact O-N 2.85Å; E184-R187 PolarHBondContact O-N 2.84Å; C185-R187 VanDerWaalsContact C-N 3.33Å; C185-R187 PolarHBondContact O-N 3.27Å; R187-T190 PolarHBondContact O-N 2.78Å; R187-R191 PolarHBondContact O-N 3.29Å; R187-C336 PolarHBondContact NH2-O 3.38Å; R187-C336 VanDerWaalsContact NH2-O 3.08Å |
| 188 | A | 92.7 | Very high | 83.6 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -50.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E184 C185 T190 R191 I192 L271 Y276 M280 | E184-A188 WeakPolarHBondContact O-CB 3.33Å; E184-A188 PolarHBondContact O-N 3.14Å; C185-A188 PolarHBondContact O-N 3.22Å; A188-T190 VanDerWaalsContact C-N 3.3Å; A188-T190 PolarHBondContact O-N 3.31Å; A188-R191 PolarHBondContact O-N 3.09Å; A188-I192 WeakPolarHBondContact O-CG1 3.39Å; A188-I192 PolarHBondContact O-N 3.3Å; A188-L271 HydrophobicContact CB-CD2 3.68Å; A188-Y276 WeakPolarHBondContact CA-OH 3.4Å; A188-Y276 HydrophobicContact CB-CD1 3.96Å; A188-Y276 HydrophobicContact CB-CD2 4.37Å; A188-Y276 HydrophobicContact CB-CE1 3.48Å; A188-Y276 VanDerWaalsContact CB-CE1 3.48Å; A188-Y276 HydrophobicContact CB-CE2 3.92Å; A188-Y276 HydrophobicContact CB-CG 4.39Å; A188-Y276 VanDerWaalsContact CB-CZ 3.47Å; A188-M280 HydrophobicContact CB-CE 4Å |
| 189 | L | 94.3 | Very high | 84.4 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -34.2 | 176.5 | -69.4 | 175.2 | 0 | 0 | 0 | 112.3 | C185 I192 F193 F251 L252 H255 T267 L271 | C185-L189 WeakPolarHBondContact O-CB 3.28Å; C185-L189 WeakPolarHBondContact O-CG 2.84Å; C185-L189 PolarHBondContact O-N 2.64Å; L189-I192 HydrophobicContact CD2-CD1 4.49Å; L189-I192 PolarHBondContact O-N 3.08Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 PolarHBondContact O-N 3.29Å; L189-F251 HydrophobicContact CB-CE1 4.17Å; L189-F251 HydrophobicContact CD2-CE1 4.23Å; L189-L252 HydrophobicContact CB-CD2 3.54Å; L189-L252 HydrophobicContact CD1-CD2 4.13Å; L189-H255 HydrophobicContact CD1-CB 3.73Å; L189-T267 HydrophobicContact CD1-CG2 4.48Å; L189-T267 HydrophobicContact CD2-CG2 4.36Å; L189-L271 HydrophobicContact CD2-CD2 4.21Å; L189-L271 HydrophobicContact CG-CD2 4.5Å |
| 190 | T | 94.5 | Very high | 85.9 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 174.1 | -66 | 0 | 0 | 0 | 0 | 111.6 | I186 R187 A188 I192 F193 R194 Q248 | I186-T190 WeakPolarHBondContact O-CB 3.19Å; I186-T190 PolarHBondContact O-N 2.97Å; I186-T190 PolarHBondContact O-OG1 3.02Å; R187-T190 PolarHBondContact O-N 2.78Å; A188-T190 VanDerWaalsContact C-N 3.3Å; A188-T190 PolarHBondContact O-N 3.31Å; T190-I192 VanDerWaalsContact C-N 3.33Å; T190-I192 PolarHBondContact O-N 2.89Å; T190-F193 PolarHBondContact O-N 2.88Å; T190-R194 WeakPolarHBondContact O-CG 3.34Å; T190-R194 PolarHBondContact O-N 3.45Å; T190-Q248 PolarHBondContact OG1-NE2 3.27Å |
| 191 | R | 95.3 | Very high | 88.1 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 172.4 | 167.3 | 171.1 | 164.2 | -79.5 | -0.6 | 110.8 | R187 A188 F193 R194 I195 F274 Y276 T335 A384 Y385 | R187-R191 PolarHBondContact O-N 3.29Å; A188-R191 PolarHBondContact O-N 3.09Å; R191-F193 VanDerWaalsContact C-N 3.33Å; R191-F193 PolarHBondContact O-N 3.43Å; R191-R194 PolarHBondContact O-N 2.96Å; R191-I195 HydrophobicContact CG-CD1 3.72Å; R191-I195 HydrophobicContact CG-CG1 4.37Å; R191-I195 VanDerWaalsContact CZ-CD1 3.47Å; R191-I195 WeakPolarHBondContact O-CG1 3.25Å; R191-I195 PolarHBondContact O-N 2.88Å; R191-F274 PolarHBondContact NH1-O 3.19Å; R191-Y276 WeakPolarHBondContact CD-OH 3.11Å; R191-Y276 VanDerWaalsContact NH1-CE2 3.27Å; R191-Y276 PolarHBondContact NH1-OH 3.33Å; R191-T335 HydrophobicContact CB-CG2 4.41Å; R191-T335 HydrophobicContact CG-CG2 4.1Å; R191-A384 PolarHBondContact NH2-O 2.64Å; R191-Y385 PolarHBondContact NE-O 3.42Å |
| 192 | I | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 179.1 | -67 | 174.5 | 0 | 0 | 0 | 110.6 | A188 L189 T190 R194 I195 C196 F212 F251 V270 L271 F274 Y276 | A188-I192 WeakPolarHBondContact O-CG1 3.39Å; A188-I192 PolarHBondContact O-N 3.3Å; L189-I192 HydrophobicContact CD2-CD1 4.49Å; L189-I192 PolarHBondContact O-N 3.08Å; T190-I192 VanDerWaalsContact C-N 3.33Å; T190-I192 PolarHBondContact O-N 2.89Å; I192-R194 PolarHBondContact O-N 3.42Å; I192-I195 PolarHBondContact O-N 2.97Å; I192-C196 PolarHBondContact O-N 3.39Å; I192-C196 PolarHBondContact O-SG 3.26Å; I192-F212 HydrophobicContact CG2-CD2 4.47Å; I192-F212 HydrophobicContact CG2-CE2 3.87Å; I192-F251 HydrophobicContact CG2-CZ 4.26Å; I192-V270 HydrophobicContact CD1-CG1 3.88Å; I192-V270 HydrophobicContact CG2-CG1 4.14Å; I192-L271 HydrophobicContact CD1-CD2 4.05Å; I192-F274 HydrophobicContact CB-CG 4.42Å; I192-F274 HydrophobicContact CD1-CB 3.74Å; I192-F274 HydrophobicContact CD1-CD2 3.93Å; I192-F274 HydrophobicContact CD1-CG 3.91Å; I192-F274 HydrophobicContact CG1-CB 3.71Å; I192-F274 HydrophobicContact CG1-CD1 4Å; I192-F274 HydrophobicContact CG1-CD2 3.98Å; I192-F274 HydrophobicContact CG1-CG 3.63Å; I192-F274 HydrophobicContact CG2-CD1 4.29Å; I192-F274 HydrophobicContact CG2-CD2 3.81Å; I192-F274 HydrophobicContact CG2-CE1 4.13Å; I192-F274 HydrophobicContact CG2-CE2 3.64Å; I192-F274 HydrophobicContact CG2-CG 4.14Å; I192-F274 HydrophobicContact CG2-CZ 3.82Å; I192-Y276 HydrophobicContact CD1-CD2 4.26Å; I192-Y276 HydrophobicContact CD1-CE2 4.04Å; I192-Y276 HydrophobicContact CG1-CE2 4.12Å |
| 193 | F | 95.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.3 | -51.5 | 174.6 | 179.5 | -84.9 | 0 | 0 | 0 | 111.3 | L189 T190 R191 I195 C196 D197 L204 Q248 F251 | L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 PolarHBondContact O-N 3.29Å; T190-F193 PolarHBondContact O-N 2.88Å; R191-F193 VanDerWaalsContact C-N 3.33Å; R191-F193 PolarHBondContact O-N 3.43Å; F193-I195 VanDerWaalsContact C-N 3.26Å; F193-I195 PolarHBondContact O-N 2.85Å; F193-C196 PolarHBondContact O-N 2.84Å; F193-D197 HydrophobicContact CE1-CB 4.21Å; F193-D197 WeakPolarHBondContact O-CB 3.44Å; F193-D197 PolarHBondContact O-N 3.04Å; F193-L204 HydrophobicContact CD2-CD1 3.84Å; F193-L204 HydrophobicContact CD2-CD2 4.38Å; F193-L204 HydrophobicContact CD2-CG 3.87Å; F193-L204 HydrophobicContact CE2-CD1 3.99Å; F193-L204 HydrophobicContact CE2-CD2 4.23Å; F193-L204 HydrophobicContact CE2-CG 3.56Å; F193-L204 HydrophobicContact CZ-CG 4.23Å; F193-Q248 HydrophobicContact CB-CG 4.48Å; F193-Q248 HydrophobicContact CD1-CB 3.88Å; F193-Q248 HydrophobicContact CD1-CG 3.93Å; F193-Q248 HydrophobicContact CD2-CB 4.19Å; F193-Q248 HydrophobicContact CD2-CG 4.41Å; F193-Q248 HydrophobicContact CE1-CB 3.74Å; F193-Q248 HydrophobicContact CE1-CG 4.31Å; F193-Q248 HydrophobicContact CE2-CB 4.01Å; F193-Q248 VanDerWaalsContact CE2-N 3.27Å; F193-Q248 HydrophobicContact CG-CB 4.12Å; F193-Q248 HydrophobicContact CG-CG 4.01Å; F193-Q248 HydrophobicContact CZ-CB 3.79Å; F193-Q248 VanDerWaalsContact CZ-N 3.29Å; F193-F251 HydrophobicContact CB-CD1 4.03Å; F193-F251 HydrophobicContact CB-CE1 4.26Å; F193-F251 HydrophobicContact CD2-CB 3.76Å; F193-F251 HydrophobicContact CD2-CD1 4.09Å; F193-F251 AromaticContact CD2-CG 3.87Å; F193-F251 HydrophobicContact CD2-CG 3.87Å; F193-F251 HydrophobicContact CE2-CB 4.21Å |
| 194 | R | 95.3 | Very high | 92.7 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 21% | 0.208 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -29.9 | 179.3 | -74 | -177.2 | 174.7 | -135.7 | -1 | 113.5 | T190 R191 I192 K315 E331 T335 | T190-R194 WeakPolarHBondContact O-CG 3.34Å; T190-R194 PolarHBondContact O-N 3.45Å; R191-R194 PolarHBondContact O-N 2.96Å; I192-R194 PolarHBondContact O-N 3.42Å; R194-K315 PolarHBondContact O-NZ 3.2Å; R194-E331 IonicContact CZ-OE2 3.31Å; R194-E331 VanDerWaalsContact CZ-OE2 3.25Å; R194-E331 PolarHBondContact NH1-O 3.45Å; R194-E331 VanDerWaalsContact NH1-O 3.12Å; R194-E331 IonicContact NH1-OE2 3.48Å; R194-E331 PolarHBondContact NH1-OE2 3.05Å; R194-E331 IonicContact NH2-OE2 3.37Å; R194-E331 PolarHBondContact NH2-OE2 3.3Å; R194-T335 HydrophobicContact CB-CG2 3.98Å |
| 195 | I | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.4 | -36.5 | 174.9 | -69.6 | 167.5 | 0 | 0 | 0 | 111 | R191 I192 F193 F274 Y390 | R191-I195 HydrophobicContact CG-CD1 3.72Å; R191-I195 HydrophobicContact CG-CG1 4.37Å; R191-I195 VanDerWaalsContact CZ-CD1 3.47Å; R191-I195 WeakPolarHBondContact O-CG1 3.25Å; R191-I195 PolarHBondContact O-N 2.88Å; I192-I195 PolarHBondContact O-N 2.97Å; F193-I195 VanDerWaalsContact C-N 3.26Å; F193-I195 PolarHBondContact O-N 2.85Å; I195-F274 HydrophobicContact CB-CE1 4.29Å; I195-F274 HydrophobicContact CD1-CD1 4.29Å; I195-F274 HydrophobicContact CG2-CE1 3.86Å; I195-Y390 HydrophobicContact CG2-CD1 3.81Å; I195-Y390 HydrophobicContact CG2-CG 3.75Å |
| 196 | C | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -81.9 | -27.1 | -177.8 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | I192 F193 T198 L204 F212 F274 | I192-C196 PolarHBondContact O-N 3.39Å; I192-C196 PolarHBondContact O-SG 3.26Å; F193-C196 PolarHBondContact O-N 2.84Å; C196-T198 PolarHBondContact O-N 3.47Å; C196-T198 VanDerWaalsContact O-N 3.08Å; C196-L204 HydrophobicContact CB-CD1 4.45Å; C196-L204 HydrophobicContact CB-CD2 3.74Å; C196-F212 VanDerWaalsContact SG-CD2 3.59Å; C196-F274 VanDerWaalsContact SG-CZ 3.58Å |
| 197 | D | 94.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -72.8 | 89.6 | 170.2 | 178.9 | -5.4 | 0 | 0 | 0 | 107.8 | F193 N200 D201 G202 L204 K315 | F193-D197 HydrophobicContact CE1-CB 4.21Å; F193-D197 WeakPolarHBondContact O-CB 3.44Å; F193-D197 PolarHBondContact O-N 3.04Å; D197-N200 WeakPolarHBondContact OD1-CA 3.33Å; D197-N200 PolarHBondContact OD1-N 3.16Å; D197-D201 PolarHBondContact OD1-N 2.62Å; D197-G202 WeakPolarHBondContact OD2-CA 3.46Å; D197-G202 PolarHBondContact OD2-N 2.82Å; D197-L204 HydrophobicContact CB-CD2 3.93Å; D197-K315 WeakPolarHBondContact O-CE 3.48Å; D197-K315 PolarHBondContact O-NZ 3.25Å | ||
| 198 | T | 90.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -81.2 | -26.6 | -168.9 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | C196 E208 Y390 W397 | C196-T198 PolarHBondContact O-N 3.47Å; C196-T198 VanDerWaalsContact O-N 3.08Å; T198-E208 PolarHBondContact N-OE1 3.3Å; T198-E208 PolarHBondContact OG1-OE1 3.16Å; T198-Y390 HydrophobicContact CG2-CE1 4.46Å; T198-W397 HydrophobicContact CG2-CG 4.38Å |
| 199 | D | 90.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 31.7 Ų | 31.7 | 43% | 0.433 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -100.9 | -2.8 | 177.9 | 61.5 | 10.4 | 0 | 0 | 0 | 114 | D201 | D199-D201 VanDerWaalsContact C-N 3.32Å; D199-D201 PolarHBondContact O-N 3.37Å; D199-D201 VanDerWaalsContact OD1-CG 3.23Å; D199-D201 PolarHBondContact OD1-N 3.05Å |
| 200 | N | 92.5 | Very high | 92.8 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | trans | 61.7 | 36.2 | 174.3 | -163.9 | 34 | 0 | 0 | 0 | 113.2 | D197 G202 K315 | D197-N200 WeakPolarHBondContact OD1-CA 3.33Å; D197-N200 PolarHBondContact OD1-N 3.16Å; N200-G202 VanDerWaalsContact C-N 3.34Å; N200-K315 HydrophobicContact CB-CD 4.35Å; N200-K315 HydrophobicContact CB-CG 3.59Å; N200-K315 PolarHBondContact ND2-O 2.93Å | ||
| 201 | D | 92.2 | Very high | 92.5 | Very high | 56 Ų | 56 | 35.1 Ų | 35.1 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -89.4 | -3.1 | 177.9 | 74.4 | 16 | 0 | 0 | 0 | 113.5 | D197 D199 Y203 | D197-D201 PolarHBondContact OD1-N 2.62Å; D199-D201 VanDerWaalsContact C-N 3.32Å; D199-D201 PolarHBondContact O-N 3.37Å; D199-D201 VanDerWaalsContact OD1-CG 3.23Å; D199-D201 PolarHBondContact OD1-N 3.05Å; D201-Y203 HydrophobicContact CB-CE1 4.13Å; D201-Y203 VanDerWaalsContact CG-OH 3.31Å; D201-Y203 VanDerWaalsContact OD1-CD2 3.25Å; D201-Y203 WeakPolarHBondContact OD1-CD2 3.33Å; D201-Y203 WeakPolarHBondContact OD1-CE1 3.45Å; D201-Y203 WeakPolarHBondContact OD1-CE2 3.4Å; D201-Y203 VanDerWaalsContact OD1-CZ 3.3Å; D201-Y203 PolarHBondContact OD1-N 2.69Å; D201-Y203 VanDerWaalsContact OD1-N 3.08Å; D201-Y203 VanDerWaalsContact OD1-O 3.05Å; D201-Y203 WeakPolarHBondContact OD2-CE2 3.44Å; D201-Y203 PolarHBondContact OD2-OH 3.42Å |
| 202 | G | 92.9 | Very high | 92.2 | Very high | 39 Ų | 39 | 35.4 Ų | 35.4 | 40% | 0.402 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 87.9 | 8.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D197 N200 | D197-G202 WeakPolarHBondContact OD2-CA 3.46Å; D197-G202 PolarHBondContact OD2-N 2.82Å; N200-G202 VanDerWaalsContact C-N 3.34Å |
| 203 | Y | 94.5 | Very high | 91.9 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 18% | 0.18 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 156.9 | 171.9 | 50.7 | -96.4 | 0 | 0 | 0 | 111.4 | D201 N244 L246 | D201-Y203 HydrophobicContact CB-CE1 4.13Å; D201-Y203 VanDerWaalsContact CG-OH 3.31Å; D201-Y203 VanDerWaalsContact OD1-CD2 3.25Å; D201-Y203 WeakPolarHBondContact OD1-CD2 3.33Å; D201-Y203 WeakPolarHBondContact OD1-CE1 3.45Å; D201-Y203 WeakPolarHBondContact OD1-CE2 3.4Å; D201-Y203 VanDerWaalsContact OD1-CZ 3.3Å; D201-Y203 PolarHBondContact OD1-N 2.69Å; D201-Y203 VanDerWaalsContact OD1-N 3.08Å; D201-Y203 VanDerWaalsContact OD1-O 3.05Å; D201-Y203 WeakPolarHBondContact OD2-CE2 3.44Å; D201-Y203 PolarHBondContact OD2-OH 3.42Å; Y203-N244 HydrophobicContact CD2-CB 3.78Å; Y203-N244 HydrophobicContact CE1-CB 4Å; Y203-N244 HydrophobicContact CE2-CB 3.13Å; Y203-N244 HydrophobicContact CG-CB 4.45Å; Y203-N244 PolarHBondContact OH-ND2 2.77Å; Y203-L246 CarbonylContact C-O 3.55Å; Y203-L246 WeakPolarHBondContact CA-O 3.2Å; Y203-L246 WeakPolarHBondContact CB-O 3.41Å |
| 204 | L | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 112.4 | 171.9 | -59 | 177.1 | 0 | 0 | 0 | 109.1 | F193 C196 D197 E208 L209 G245 L246 F251 | F193-L204 HydrophobicContact CD2-CD1 3.84Å; F193-L204 HydrophobicContact CD2-CD2 4.38Å; F193-L204 HydrophobicContact CD2-CG 3.87Å; F193-L204 HydrophobicContact CE2-CD1 3.99Å; F193-L204 HydrophobicContact CE2-CD2 4.23Å; F193-L204 HydrophobicContact CE2-CG 3.56Å; F193-L204 HydrophobicContact CZ-CG 4.23Å; C196-L204 HydrophobicContact CB-CD1 4.45Å; C196-L204 HydrophobicContact CB-CD2 3.74Å; D197-L204 HydrophobicContact CB-CD2 3.93Å; L204-E208 HydrophobicContact CB-CB 4.39Å; L204-E208 HydrophobicContact CD2-CB 4.27Å; L204-L209 HydrophobicContact CB-CD2 3.83Å; L204-L209 HydrophobicContact CB-CG 3.82Å; L204-L209 HydrophobicContact CD1-CD2 3.9Å; L204-G245 CarbonylContact O-C 3.53Å; L204-G245 WeakPolarHBondContact O-CA 3.12Å; L204-L246 PolarHBondContact N-O 3.15Å; L204-L246 PolarHBondContact O-N 3.34Å; L204-F251 HydrophobicContact CD1-CD2 4.05Å; L204-F251 HydrophobicContact CD1-CE2 4.38Å |
| 205 | S | 92.5 | Very high | 90.9 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | trans | -64.3 | 169.2 | 170.8 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | R207 E208 L209 | S205-R207 PolarHBondContact O-N 3.01Å; S205-E208 WeakPolarHBondContact CB-OE2 3.32Å; S205-E208 PolarHBondContact N-OE2 3.01Å; S205-E208 PolarHBondContact O-N 2.91Å; S205-E208 WeakPolarHBondContact OG-CG 3.09Å; S205-E208 PolarHBondContact OG-N 2.82Å; S205-E208 PolarHBondContact OG-OE2 2.89Å; S205-L209 WeakPolarHBondContact O-CB 3.34Å; S205-L209 WeakPolarHBondContact O-CG 3.02Å; S205-L209 PolarHBondContact O-N 3.31Å | ||
| 206 | D | 90.9 | Very high | 90.4 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.1 | -39.4 | 179 | -70.2 | 5.8 | 0 | 0 | 0 | 111.9 | L209 E210 L226 K230 | D206-L209 PolarHBondContact O-N 3.48Å; D206-E210 WeakPolarHBondContact O-CB 3.49Å; D206-E210 PolarHBondContact O-N 2.82Å; D206-L226 HydrophobicContact CB-CD1 4.12Å; D206-L226 HydrophobicContact CB-CD2 4.45Å; D206-L226 VanDerWaalsContact OD1-CD2 3.27Å; D206-L226 WeakPolarHBondContact OD1-CD2 3.33Å; D206-K230 WeakPolarHBondContact OD1-CE 3.49Å; D206-K230 IonicContact OD1-NZ 3.7Å; D206-K230 PolarHBondContact OD1-NZ 3.46Å; D206-K230 IonicContact OD2-NZ 3.61Å |
| 207 | R | 89.2 | Confident | 90 | Very high | 153 Ų | 153 | 42 Ų | 42 | 58% | 0.577 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -68.3 | -38.9 | -179.1 | -158.5 | -165.6 | 163.5 | -166 | -7.6 | 111.2 | S205 A211 L396 | S205-R207 PolarHBondContact O-N 3.01Å; R207-A211 PolarHBondContact O-N 3.44Å; R207-L396 HydrophobicContact CB-CD2 3.83Å; R207-L396 HydrophobicContact CG-CD1 3.71Å; R207-L396 HydrophobicContact CG-CD2 3.55Å; R207-L396 HydrophobicContact CG-CG 3.94Å |
| 208 | E | 91.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -73.3 | -37.7 | 176.3 | -69.6 | 165.9 | 137.5 | 0 | 0 | 112.3 | T198 L204 S205 E210 A211 F212 L396 | T198-E208 PolarHBondContact N-OE1 3.3Å; T198-E208 PolarHBondContact OG1-OE1 3.16Å; L204-E208 HydrophobicContact CB-CB 4.39Å; L204-E208 HydrophobicContact CD2-CB 4.27Å; S205-E208 WeakPolarHBondContact CB-OE2 3.32Å; S205-E208 PolarHBondContact N-OE2 3.01Å; S205-E208 PolarHBondContact O-N 2.91Å; S205-E208 WeakPolarHBondContact OG-CG 3.09Å; S205-E208 PolarHBondContact OG-N 2.82Å; S205-E208 PolarHBondContact OG-OE2 2.89Å; E208-E210 VanDerWaalsContact C-N 3.32Å; E208-A211 PolarHBondContact O-N 3.07Å; E208-F212 VanDerWaalsContact O-CB 3.25Å; E208-F212 WeakPolarHBondContact O-CB 3.45Å; E208-F212 PolarHBondContact O-N 3.06Å; E208-L396 HydrophobicContact CB-CD2 4.48Å; E208-L396 HydrophobicContact CG-CD2 3.67Å |
| 209 | L | 90.3 | Very high | 88.5 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 172.1 | -74 | 171.3 | 0 | 0 | 0 | 111.4 | L204 S205 D206 F212 Q213 L226 L246 | L204-L209 HydrophobicContact CB-CD2 3.83Å; L204-L209 HydrophobicContact CB-CG 3.82Å; L204-L209 HydrophobicContact CD1-CD2 3.9Å; S205-L209 WeakPolarHBondContact O-CB 3.34Å; S205-L209 WeakPolarHBondContact O-CG 3.02Å; S205-L209 PolarHBondContact O-N 3.31Å; D206-L209 PolarHBondContact O-N 3.48Å; L209-F212 PolarHBondContact O-N 3.35Å; L209-Q213 WeakPolarHBondContact O-CB 3.14Å; L209-Q213 PolarHBondContact O-N 2.69Å; L209-L226 HydrophobicContact CB-CD1 3.95Å; L209-L226 HydrophobicContact CD1-CD1 4.09Å; L209-L226 HydrophobicContact CD1-CG 4.3Å; L209-L246 HydrophobicContact CD1-CB 4.13Å; L209-L246 HydrophobicContact CD2-CB 4.42Å; L209-L246 HydrophobicContact CD2-CD2 3.98Å |
| 210 | E | 87.8 | Confident | 87.7 | Confident | 88 Ų | 88 | 51.6 Ų | 51.6 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 175 | -173.5 | 178.7 | -164.2 | 0 | 0 | 111.8 | D206 E208 Q213 T214 | D206-E210 WeakPolarHBondContact O-CB 3.49Å; D206-E210 PolarHBondContact O-N 2.82Å; E208-E210 VanDerWaalsContact C-N 3.32Å; E210-Q213 PolarHBondContact O-N 3.22Å; E210-T214 WeakPolarHBondContact O-CB 3.39Å; E210-T214 PolarHBondContact O-N 3.17Å; E210-T214 PolarHBondContact O-OG1 3.34Å |
| 211 | A | 88.1 | Confident | 86.9 | Confident | 14 Ų | 14 | 51 Ų | 51 | 12% | 0.116 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R207 E208 T214 R215 L396 | R207-A211 PolarHBondContact O-N 3.44Å; E208-A211 PolarHBondContact O-N 3.07Å; A211-T214 PolarHBondContact O-N 3.22Å; A211-R215 VanDerWaalsContact O-CB 3.27Å; A211-R215 WeakPolarHBondContact O-CB 3.35Å; A211-R215 PolarHBondContact O-N 2.93Å; A211-L396 HydrophobicContact CB-CB 4.47Å; A211-L396 HydrophobicContact CB-CD1 3.78Å |
| 212 | F | 89.8 | Confident | 86.4 | Confident | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.057 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 173.8 | 167.5 | -100.4 | 0 | 0 | 0 | 111.6 | I192 C196 E208 L209 R215 C216 F251 V270 F274 | I192-F212 HydrophobicContact CG2-CD2 4.47Å; I192-F212 HydrophobicContact CG2-CE2 3.87Å; C196-F212 VanDerWaalsContact SG-CD2 3.59Å; E208-F212 VanDerWaalsContact O-CB 3.25Å; E208-F212 WeakPolarHBondContact O-CB 3.45Å; E208-F212 PolarHBondContact O-N 3.06Å; L209-F212 PolarHBondContact O-N 3.35Å; F212-R215 WeakPolarHBondContact O-CB 3.24Å; F212-R215 PolarHBondContact O-N 3.26Å; F212-C216 VanDerWaalsContact CE2-SG 3.59Å; F212-C216 WeakPolarHBondContact O-CB 3.42Å; F212-C216 PolarHBondContact O-N 2.89Å; F212-C216 PolarHBondContact O-SG 3.36Å; F212-F251 HydrophobicContact CE1-CE2 4.07Å; F212-F251 HydrophobicContact CE2-CE2 4.19Å; F212-F251 HydrophobicContact CE2-CZ 4.13Å; F212-F251 AromaticContact CZ-CE2 3.76Å; F212-F251 HydrophobicContact CZ-CE2 3.76Å; F212-F251 AromaticContact CZ-CZ 3.93Å; F212-F251 HydrophobicContact CZ-CZ 3.93Å; F212-V270 HydrophobicContact CE1-CG2 4.45Å; F212-V270 HydrophobicContact CE2-CG1 3.76Å; F212-V270 HydrophobicContact CE2-CG2 4.34Å; F212-V270 HydrophobicContact CZ-CB 4.37Å; F212-V270 HydrophobicContact CZ-CG1 3.72Å; F212-V270 HydrophobicContact CZ-CG2 3.66Å; F212-F274 HydrophobicContact CD2-CE2 4.27Å; F212-F274 HydrophobicContact CD2-CZ 4.42Å; F212-F274 HydrophobicContact CE2-CE2 4.12Å |
| 213 | Q | 87.7 | Confident | 85.9 | Confident | 46 Ų | 46 | 54.3 Ų | 54.3 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 178.9 | -176.9 | 84.8 | -9.2 | 0 | 0 | 111.7 | L209 E210 R215 C216 F217 I219 L221 | L209-Q213 WeakPolarHBondContact O-CB 3.14Å; L209-Q213 PolarHBondContact O-N 2.69Å; E210-Q213 PolarHBondContact O-N 3.22Å; Q213-R215 PolarHBondContact O-N 3.49Å; Q213-C216 PolarHBondContact O-N 3.41Å; Q213-F217 HydrophobicContact CG-CD2 4.32Å; Q213-F217 PolarHBondContact O-N 3.08Å; Q213-I219 WeakPolarHBondContact CG-O 3.42Å; Q213-L221 HydrophobicContact CB-CB 4.37Å; Q213-L221 HydrophobicContact CB-CD1 3.42Å; Q213-L221 VanDerWaalsContact CB-CD1 3.42Å; Q213-L221 HydrophobicContact CB-CG 3.93Å; Q213-L221 HydrophobicContact CG-CB 4.23Å; Q213-L221 HydrophobicContact CG-CD1 3.65Å; Q213-L221 HydrophobicContact CG-CG 3.63Å |
| 214 | T | 85.7 | Confident | 85.5 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | E210 A211 S218 | E210-T214 WeakPolarHBondContact O-CB 3.39Å; E210-T214 PolarHBondContact O-N 3.17Å; E210-T214 PolarHBondContact O-OG1 3.34Å; A211-T214 PolarHBondContact O-N 3.22Å; T214-S218 WeakPolarHBondContact O-CA 3.42Å; T214-S218 PolarHBondContact O-N 2.92Å; T214-S218 VanDerWaalsContact O-N 3.09Å |
| 215 | R | 84.7 | Confident | 85.1 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.4 | 178.5 | 67.7 | -180 | -159.7 | -3.3 | 112.5 | A211 F212 Q213 R273 T389 Y390 S393 | A211-R215 VanDerWaalsContact O-CB 3.27Å; A211-R215 WeakPolarHBondContact O-CB 3.35Å; A211-R215 PolarHBondContact O-N 2.93Å; F212-R215 WeakPolarHBondContact O-CB 3.24Å; F212-R215 PolarHBondContact O-N 3.26Å; Q213-R215 PolarHBondContact O-N 3.49Å; R215-R273 HydrophobicContact CG-CG 4.15Å; R215-R273 WeakPolarHBondContact O-CG 3.42Å; R215-R273 PolarHBondContact O-NE 2.88Å; R215-T389 PolarHBondContact NH1-O 3.06Å; R215-T389 PolarHBondContact NH2-O 3.34Å; R215-Y390 HydrophobicContact CB-CE2 4.01Å; R215-Y390 HydrophobicContact CG-CD2 3.89Å; R215-Y390 HydrophobicContact CG-CE2 3.87Å; R215-S393 PolarHBondContact NH1-OG 2.81Å |
| 216 | C | 85.4 | Confident | 84.7 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -85.1 | -38.8 | -171.7 | -62.9 | 0 | 0 | 0 | 0 | 113.7 | F212 Q213 V270 | F212-C216 VanDerWaalsContact CE2-SG 3.59Å; F212-C216 WeakPolarHBondContact O-CB 3.42Å; F212-C216 PolarHBondContact O-N 2.89Å; F212-C216 PolarHBondContact O-SG 3.36Å; Q213-C216 PolarHBondContact O-N 3.41Å; C216-V270 HydrophobicContact CB-CG2 4.1Å |
| 217 | F | 84.2 | Confident | 84.6 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 23% | 0.228 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -123.4 | -4.5 | -168 | -56.6 | -72 | 0 | 0 | 0 | 113.7 | Q213 I219 T266 T269 V270 | Q213-F217 HydrophobicContact CG-CD2 4.32Å; Q213-F217 PolarHBondContact O-N 3.08Å; F217-I219 WeakPolarHBondContact O-CG1 3.13Å; F217-I219 PolarHBondContact O-N 3.12Å; F217-T266 HydrophobicContact CE1-CG2 4.03Å; F217-T266 HydrophobicContact CZ-CG2 3.57Å; F217-T269 HydrophobicContact CD1-CG2 4.04Å; F217-T269 HydrophobicContact CE1-CG2 3.73Å; F217-V270 HydrophobicContact CE2-CG2 3.99Å; F217-V270 HydrophobicContact CZ-CG2 3.71Å |
| 218 | S | 76.9 | Confident | 84.5 | Confident | 101 Ų | 101 | 57 Ų | 57 | 71% | 0.706 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 55.7 | 21.5 | -178.8 | -52.5 | 0 | 0 | 0 | 0 | 114.2 | T214 | T214-S218 WeakPolarHBondContact O-CA 3.42Å; T214-S218 PolarHBondContact O-N 2.92Å; T214-S218 VanDerWaalsContact O-N 3.09Å |
| 219 | I | 77.6 | Confident | 84.3 | Confident | 108 Ų | 108 | 59.1 Ų | 59.1 | 55% | 0.554 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -124.7 | 123.7 | 179.6 | -63.1 | 160.5 | 0 | 0 | 0 | 107 | Q213 F217 | Q213-I219 WeakPolarHBondContact CG-O 3.42Å; F217-I219 WeakPolarHBondContact O-CG1 3.13Å; F217-I219 PolarHBondContact O-N 3.12Å |
| 220 | P | 73.6 | Confident | 84.3 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -65 | 140.7 | 176.2 | 26.2 | -32.3 | 0 | 0 | 0 | 110.7 | T222 | P220-T222 PolarHBondContact O-N 3.15Š|
| 221 | L | 74.6 | Confident | 84.4 | Confident | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.183 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 121.4 | 175.5 | -109.8 | 158.2 | 0 | 0 | 0 | 109 | Q213 L226 | Q213-L221 HydrophobicContact CB-CB 4.37Å; Q213-L221 HydrophobicContact CB-CD1 3.42Å; Q213-L221 VanDerWaalsContact CB-CD1 3.42Å; Q213-L221 HydrophobicContact CB-CG 3.93Å; Q213-L221 HydrophobicContact CG-CB 4.23Å; Q213-L221 HydrophobicContact CG-CD1 3.65Å; Q213-L221 HydrophobicContact CG-CG 3.63Å; L221-L226 HydrophobicContact CD2-CB 4.3Å |
| 222 | T | 82.5 | Confident | 84.4 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 147.4 | 171.1 | 75 | 0 | 0 | 0 | 0 | 110.1 | P220 Q224 S225 L226 | P220-T222 PolarHBondContact O-N 3.15Å; T222-Q224 PolarHBondContact O-N 2.88Å; T222-Q224 VanDerWaalsContact O-N 3.17Å; T222-S225 PolarHBondContact O-N 3.03Å; T222-S225 VanDerWaalsContact O-N 3.1Å; T222-S225 WeakPolarHBondContact OG1-CB 3.11Å; T222-S225 PolarHBondContact OG1-N 3.09Å; T222-S225 PolarHBondContact OG1-OG 2.8Å; T222-L226 PolarHBondContact O-N 3.03Å |
| 223 | A | 83.2 | Confident | 84.4 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 71% | 0.711 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -55.1 | -34.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L226 H227 | A223-L226 PolarHBondContact O-N 3.34Å; A223-H227 WeakPolarHBondContact O-CB 3.37Å; A223-H227 PolarHBondContact O-N 2.8Å |
| 224 | Q | 85.7 | Confident | 84.6 | Confident | 118 Ų | 118 | 66.9 Ų | 66.9 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.9 | -48.9 | 176.4 | -171.6 | 60.7 | 42.5 | 0 | 0 | 111.8 | T222 L226 H227 D228 | T222-Q224 PolarHBondContact O-N 2.88Å; T222-Q224 VanDerWaalsContact O-N 3.17Å; Q224-L226 PolarHBondContact O-N 3.44Å; Q224-H227 WeakPolarHBondContact O-CB 3.49Å; Q224-H227 PolarHBondContact O-N 3.35Å; Q224-H227 VanDerWaalsContact O-N 3.1Å; Q224-D228 PolarHBondContact NE2-OD1 3.39Å; Q224-D228 PolarHBondContact O-N 3.2Å |
| 225 | S | 84.8 | Confident | 84.8 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.7 | -36.9 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 112 | T222 D228 V229 | T222-S225 PolarHBondContact O-N 3.03Å; T222-S225 VanDerWaalsContact O-N 3.1Å; T222-S225 WeakPolarHBondContact OG1-CB 3.11Å; T222-S225 PolarHBondContact OG1-N 3.09Å; T222-S225 PolarHBondContact OG1-OG 2.8Å; S225-D228 PolarHBondContact O-N 3.19Å; S225-V229 VanDerWaalsContact O-CG2 3.25Å; S225-V229 WeakPolarHBondContact O-CG2 3.43Å; S225-V229 PolarHBondContact O-N 2.8Å |
| 226 | L | 84.9 | Confident | 85.1 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 176.1 | -167.8 | 147.3 | 0 | 0 | 0 | 111.5 | D206 L209 L221 T222 A223 Q224 V229 K230 | D206-L226 HydrophobicContact CB-CD1 4.12Å; D206-L226 HydrophobicContact CB-CD2 4.45Å; D206-L226 VanDerWaalsContact OD1-CD2 3.27Å; D206-L226 WeakPolarHBondContact OD1-CD2 3.33Å; L209-L226 HydrophobicContact CB-CD1 3.95Å; L209-L226 HydrophobicContact CD1-CD1 4.09Å; L209-L226 HydrophobicContact CD1-CG 4.3Å; L221-L226 HydrophobicContact CD2-CB 4.3Å; T222-L226 PolarHBondContact O-N 3.03Å; A223-L226 PolarHBondContact O-N 3.34Å; Q224-L226 PolarHBondContact O-N 3.44Å; L226-V229 PolarHBondContact O-N 3.32Å; L226-K230 HydrophobicContact CD2-CD 3.81Å; L226-K230 VanDerWaalsContact CD2-CE 3.49Å; L226-K230 HydrophobicContact CD2-CG 4.37Å; L226-K230 WeakPolarHBondContact O-CG 3.27Å; L226-K230 PolarHBondContact O-N 2.89Å |
| 227 | H | 87.6 | Confident | 85.3 | Confident | 106 Ų | 106 | 72.1 Ų | 72.1 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 173.8 | -171.1 | 81.6 | 0 | 0 | 0 | 111.8 | A223 Q224 V229 K230 Q231 | A223-H227 WeakPolarHBondContact O-CB 3.37Å; A223-H227 PolarHBondContact O-N 2.8Å; Q224-H227 WeakPolarHBondContact O-CB 3.49Å; Q224-H227 PolarHBondContact O-N 3.35Å; Q224-H227 VanDerWaalsContact O-N 3.1Å; H227-V229 PolarHBondContact O-N 3.22Å; H227-K230 PolarHBondContact O-N 2.98Å; H227-Q231 WeakPolarHBondContact O-CB 3.34Å; H227-Q231 PolarHBondContact O-N 2.82Å |
| 228 | D | 88.5 | Confident | 85.6 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | -179.9 | -61.8 | -20.3 | 0 | 0 | 0 | 111.5 | Q224 S225 Q231 L232 | Q224-D228 PolarHBondContact NE2-OD1 3.39Å; Q224-D228 PolarHBondContact O-N 3.2Å; S225-D228 PolarHBondContact O-N 3.19Å; D228-Q231 PolarHBondContact O-N 2.94Å; D228-L232 WeakPolarHBondContact O-CB 3.24Å; D228-L232 PolarHBondContact O-N 2.81Å |
| 229 | V | 87.2 | Confident | 86.2 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 28% | 0.279 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.1 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | S225 L226 H227 Q231 L232 V233 L254 | S225-V229 VanDerWaalsContact O-CG2 3.25Å; S225-V229 WeakPolarHBondContact O-CG2 3.43Å; S225-V229 PolarHBondContact O-N 2.8Å; L226-V229 PolarHBondContact O-N 3.32Å; H227-V229 PolarHBondContact O-N 3.22Å; V229-Q231 VanDerWaalsContact C-N 3.35Å; V229-Q231 PolarHBondContact O-N 3.47Å; V229-L232 PolarHBondContact O-N 2.75Å; V229-V233 WeakPolarHBondContact O-CG2 3.32Å; V229-V233 PolarHBondContact O-N 3.1Å; V229-L254 HydrophobicContact CG1-CD1 3.97Å; V229-L254 HydrophobicContact CG1-CD2 3.85Å |
| 230 | K | 89.5 | Confident | 86.9 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 14% | 0.135 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 177.4 | -77.2 | -177.5 | 175.5 | -179.3 | 0 | 112 | D206 L226 H227 V233 K234 V241 | D206-K230 WeakPolarHBondContact OD1-CE 3.49Å; D206-K230 IonicContact OD1-NZ 3.7Å; D206-K230 PolarHBondContact OD1-NZ 3.46Å; D206-K230 IonicContact OD2-NZ 3.61Å; L226-K230 HydrophobicContact CD2-CD 3.81Å; L226-K230 VanDerWaalsContact CD2-CE 3.49Å; L226-K230 HydrophobicContact CD2-CG 4.37Å; L226-K230 WeakPolarHBondContact O-CG 3.27Å; L226-K230 PolarHBondContact O-N 2.89Å; H227-K230 PolarHBondContact O-N 2.98Å; K230-V233 PolarHBondContact O-N 3.4Å; K230-K234 WeakPolarHBondContact O-CB 3.25Å; K230-K234 PolarHBondContact O-N 3.4Å; K230-V241 HydrophobicContact CB-CG1 4.19Å; K230-V241 HydrophobicContact CB-CG2 4.37Å; K230-V241 HydrophobicContact CD-CG1 4.31Å; K230-V241 HydrophobicContact CG-CG1 4.19Å; K230-V241 HydrophobicContact CG-CG2 4.49Å; K230-V241 WeakPolarHBondContact O-CG2 3.37Å |
| 231 | Q | 90 | Very high | 87.8 | Confident | 90 Ų | 90 | 64.4 Ų | 64.4 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 178.6 | -176.7 | 172.5 | -16.8 | 0 | 0 | 111.3 | H227 D228 V229 K234 Q235 | H227-Q231 WeakPolarHBondContact O-CB 3.34Å; H227-Q231 PolarHBondContact O-N 2.82Å; D228-Q231 PolarHBondContact O-N 2.94Å; V229-Q231 VanDerWaalsContact C-N 3.35Å; V229-Q231 PolarHBondContact O-N 3.47Å; Q231-K234 PolarHBondContact O-N 3.47Å; Q231-Q235 WeakPolarHBondContact O-CG 3.47Å; Q231-Q235 PolarHBondContact O-N 3.27Å |
| 232 | L | 88.8 | Confident | 88.6 | Confident | 64 Ų | 64 | 65.5 Ų | 65.5 | 34% | 0.335 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58 | -49.8 | 175.3 | 179.5 | 69.4 | 0 | 0 | 0 | 111.4 | D228 V229 K234 Q235 S236 | D228-L232 WeakPolarHBondContact O-CB 3.24Å; D228-L232 PolarHBondContact O-N 2.81Å; V229-L232 PolarHBondContact O-N 2.75Å; L232-K234 VanDerWaalsContact C-N 3.35Å; L232-K234 PolarHBondContact O-N 2.63Å; L232-Q235 PolarHBondContact O-N 2.86Å; L232-S236 PolarHBondContact O-N 3.05Å; L232-S236 PolarHBondContact O-OG 3.15Å |
| 233 | V | 90.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 179.6 | 177.8 | 0 | 0 | 0 | 0 | 111 | V229 K230 Q235 S236 C237 V241 L246 F253 L254 | V229-V233 WeakPolarHBondContact O-CG2 3.32Å; V229-V233 PolarHBondContact O-N 3.1Å; K230-V233 PolarHBondContact O-N 3.4Å; V233-Q235 VanDerWaalsContact C-N 3.31Å; V233-Q235 PolarHBondContact O-N 3.14Å; V233-S236 PolarHBondContact O-N 3.04Å; V233-C237 HydrophobicContact CG1-CB 4.17Å; V233-C237 WeakPolarHBondContact O-CA 3.36Å; V233-C237 WeakPolarHBondContact O-CB 3.33Å; V233-C237 PolarHBondContact O-N 3.08Å; V233-V241 HydrophobicContact CB-CG2 3.78Å; V233-V241 HydrophobicContact CG1-CG2 3.74Å; V233-L246 HydrophobicContact CB-CD1 4.3Å; V233-L246 HydrophobicContact CG1-CD1 3.98Å; V233-L246 HydrophobicContact CG2-CD1 4.17Å; V233-F253 HydrophobicContact CG1-CD1 4.32Å; V233-F253 HydrophobicContact CG2-CD1 4.46Å; V233-L254 HydrophobicContact CG2-CB 4.33Å; V233-L254 HydrophobicContact CG2-CD1 4.2Å |
| 234 | K | 90.7 | Very high | 89.1 | Confident | 153 Ų | 153 | 68.8 Ų | 68.8 | 67% | 0.665 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.7 | -36.7 | 178.6 | -174.4 | 177 | -179.5 | 180 | 0 | 112.6 | K230 Q231 L232 V241 | K230-K234 WeakPolarHBondContact O-CB 3.25Å; K230-K234 PolarHBondContact O-N 3.4Å; Q231-K234 PolarHBondContact O-N 3.47Å; L232-K234 VanDerWaalsContact C-N 3.35Å; L232-K234 PolarHBondContact O-N 2.63Å; K234-V241 HydrophobicContact CB-CB 4.4Å; K234-V241 HydrophobicContact CB-CG2 4.47Å |
| 235 | Q | 90.9 | Very high | 89.4 | Confident | 137 Ų | 137 | 63.2 Ų | 63.2 | 64% | 0.64 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -73.4 | -38.5 | 179 | -73.1 | 176.2 | -5 | 0 | 0 | 112.6 | Q231 L232 V233 | Q231-Q235 WeakPolarHBondContact O-CG 3.47Å; Q231-Q235 PolarHBondContact O-N 3.27Å; L232-Q235 PolarHBondContact O-N 2.86Å; V233-Q235 VanDerWaalsContact C-N 3.31Å; V233-Q235 PolarHBondContact O-N 3.14Å |
| 236 | S | 89.3 | Confident | 89.9 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 46% | 0.462 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -100 | -19.9 | -172.9 | -53.9 | 0 | 0 | 0 | 0 | 114.8 | L232 V233 | L232-S236 PolarHBondContact O-N 3.05Å; L232-S236 PolarHBondContact O-OG 3.15Å; V233-S236 PolarHBondContact O-N 3.04Å |
| 237 | C | 90.5 | Very high | 90.4 | Very high | 10 Ų | 10 | 61.1 Ų | 61.1 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -131.7 | 96.2 | -177 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | V233 G239 G240 F253 | V233-C237 HydrophobicContact CG1-CB 4.17Å; V233-C237 WeakPolarHBondContact O-CA 3.36Å; V233-C237 WeakPolarHBondContact O-CB 3.33Å; V233-C237 PolarHBondContact O-N 3.08Å; C237-G239 PolarHBondContact O-N 3.26Å; C237-G240 PolarHBondContact O-N 3.4Å; C237-F253 HydrophobicContact CB-CB 4.14Å; C237-F253 HydrophobicContact CB-CD1 3.64Å; C237-F253 HydrophobicContact CB-CD2 4.03Å; C237-F253 HydrophobicContact CB-CE1 4.05Å; C237-F253 HydrophobicContact CB-CE2 4.39Å; C237-F253 HydrophobicContact CB-CG 3.64Å; C237-F253 HydrophobicContact CB-CZ 4.42Å |
| 238 | P | 89.6 | Confident | 90.7 | Very high | 103 Ų | 103 | 59 Ų | 59 | 67% | 0.669 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 126.6 | 174.3 | -24.7 | 34.3 | 0 | 0 | 0 | 111.6 | G240 K249 | P238-G240 VanDerWaalsContact C-N 3.28Å; P238-K249 PolarHBondContact O-NZ 2.99Å |
| 239 | G | 90.5 | Very high | 91 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 56% | 0.557 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 5.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | C237 V241 T247 | C237-G239 PolarHBondContact O-N 3.26Å; G239-V241 VanDerWaalsContact C-N 3.3Å; G239-T247 WeakPolarHBondContact O-CG2 3.48Å; G239-T247 PolarHBondContact O-OG1 2.78Å |
| 240 | G | 91.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -72.2 | -22.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | C237 P238 T247 G250 | C237-G240 PolarHBondContact O-N 3.4Å; P238-G240 VanDerWaalsContact C-N 3.28Å; G240-T247 WeakPolarHBondContact CA-OG1 3.36Å; G240-T247 PolarHBondContact O-N 3.35Å; G240-T247 PolarHBondContact O-OG1 3.35Å; G240-T247 VanDerWaalsContact O-OG1 3.07Å; G240-G250 WeakPolarHBondContact O-CA 3.27Å |
| 241 | V | 93.2 | Very high | 91.5 | Very high | 30 Ų | 30 | 57.7 Ų | 57.7 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -134.7 | 131.9 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | K230 V233 K234 G239 L246 | K230-V241 HydrophobicContact CB-CG1 4.19Å; K230-V241 HydrophobicContact CB-CG2 4.37Å; K230-V241 HydrophobicContact CD-CG1 4.31Å; K230-V241 HydrophobicContact CG-CG1 4.19Å; K230-V241 HydrophobicContact CG-CG2 4.49Å; K230-V241 WeakPolarHBondContact O-CG2 3.37Å; V233-V241 HydrophobicContact CB-CG2 3.78Å; V233-V241 HydrophobicContact CG1-CG2 3.74Å; K234-V241 HydrophobicContact CB-CB 4.4Å; K234-V241 HydrophobicContact CB-CG2 4.47Å; G239-V241 VanDerWaalsContact C-N 3.3Å; V241-L246 HydrophobicContact CG2-CD1 3.94Å |
| 242 | T | 91.2 | Very high | 91.7 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | trans | -101.8 | 177.1 | 169.3 | 65.2 | 0 | 0 | 0 | 0 | 110 | N244 G245 T247 | T242-N244 PolarHBondContact O-N 3.39Å; T242-N244 PolarHBondContact OG1-N 2.88Å; T242-G245 PolarHBondContact N-O 3.3Å; T242-G245 PolarHBondContact OG1-N 2.95Å; T242-G245 VanDerWaalsContact OG1-N 3.09Å; T242-G245 PolarHBondContact OG1-O 2.93Å; T242-T247 HydrophobicContact CG2-CG2 3.59Å | ||
| 243 | V | 87.3 | Confident | 91.8 | Very high | 144 Ų | 144 | 54 Ų | 54 | 87% | 0.873 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -61.8 | -31.2 | 171.9 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 244 | N | 88.6 | Confident | 91.8 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -90.8 | -27.5 | -172.3 | -57.6 | -7 | 0 | 0 | 0 | 112.6 | Y203 T242 | Y203-N244 HydrophobicContact CD2-CB 3.78Å; Y203-N244 HydrophobicContact CE1-CB 4Å; Y203-N244 HydrophobicContact CE2-CB 3.13Å; Y203-N244 HydrophobicContact CG-CB 4.45Å; Y203-N244 PolarHBondContact OH-ND2 2.77Å; T242-N244 PolarHBondContact O-N 3.39Å; T242-N244 PolarHBondContact OG1-N 2.88Å |
| 245 | G | 92.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | 179.8 | -173.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L204 T242 | L204-G245 CarbonylContact O-C 3.53Å; L204-G245 WeakPolarHBondContact O-CA 3.12Å; T242-G245 PolarHBondContact N-O 3.3Å; T242-G245 PolarHBondContact OG1-N 2.95Å; T242-G245 VanDerWaalsContact OG1-N 3.09Å; T242-G245 PolarHBondContact OG1-O 2.93Å | ||
| 246 | L | 94.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.6 | 174.3 | -177 | 71.5 | 0 | 0 | 0 | 109.5 | Y203 L204 L209 V233 V241 F251 L254 | Y203-L246 CarbonylContact C-O 3.55Å; Y203-L246 WeakPolarHBondContact CA-O 3.2Å; Y203-L246 WeakPolarHBondContact CB-O 3.41Å; L204-L246 PolarHBondContact N-O 3.15Å; L204-L246 PolarHBondContact O-N 3.34Å; L209-L246 HydrophobicContact CD1-CB 4.13Å; L209-L246 HydrophobicContact CD2-CB 4.42Å; L209-L246 HydrophobicContact CD2-CD2 3.98Å; V233-L246 HydrophobicContact CB-CD1 4.3Å; V233-L246 HydrophobicContact CG1-CD1 3.98Å; V233-L246 HydrophobicContact CG2-CD1 4.17Å; V241-L246 HydrophobicContact CG2-CD1 3.94Å; L246-F251 HydrophobicContact CD2-CB 4.07Å; L246-F251 HydrophobicContact CD2-CD2 4.17Å; L246-F251 HydrophobicContact CG-CB 4.44Å; L246-L254 HydrophobicContact CD2-CD2 4.48Å |
| 247 | T | 95.9 | Very high | 91.6 | Very high | 21 Ų | 21 | 43.2 Ų | 43.2 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 164.6 | -179.9 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | G239 G240 T242 K249 G250 F251 | G239-T247 WeakPolarHBondContact O-CG2 3.48Å; G239-T247 PolarHBondContact O-OG1 2.78Å; G240-T247 WeakPolarHBondContact CA-OG1 3.36Å; G240-T247 PolarHBondContact O-N 3.35Å; G240-T247 PolarHBondContact O-OG1 3.35Å; G240-T247 VanDerWaalsContact O-OG1 3.07Å; T242-T247 HydrophobicContact CG2-CG2 3.59Å; T247-K249 PolarHBondContact O-N 3.2Å; T247-G250 CarbonylContact O-C 3.56Å; T247-G250 WeakPolarHBondContact O-CA 3.27Å; T247-G250 PolarHBondContact O-N 3.46Å; T247-G250 PolarHBondContact OG1-N 2.93Å; T247-F251 PolarHBondContact O-N 3.38Å |
| 248 | Q | 94.6 | Very high | 91.4 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -53.5 | -41.2 | 172.6 | -172.2 | -174.1 | -25.8 | 0 | 0 | 111.9 | T190 F193 G250 F251 L252 | T190-Q248 PolarHBondContact OG1-NE2 3.27Å; F193-Q248 HydrophobicContact CB-CG 4.48Å; F193-Q248 HydrophobicContact CD1-CB 3.88Å; F193-Q248 HydrophobicContact CD1-CG 3.93Å; F193-Q248 HydrophobicContact CD2-CB 4.19Å; F193-Q248 HydrophobicContact CD2-CG 4.41Å; F193-Q248 HydrophobicContact CE1-CB 3.74Å; F193-Q248 HydrophobicContact CE1-CG 4.31Å; F193-Q248 HydrophobicContact CE2-CB 4.01Å; F193-Q248 VanDerWaalsContact CE2-N 3.27Å; F193-Q248 HydrophobicContact CG-CB 4.12Å; F193-Q248 HydrophobicContact CG-CG 4.01Å; F193-Q248 HydrophobicContact CZ-CB 3.79Å; F193-Q248 VanDerWaalsContact CZ-N 3.29Å; Q248-G250 VanDerWaalsContact C-N 3.35Å; Q248-G250 PolarHBondContact O-N 3.23Å; Q248-F251 PolarHBondContact O-N 3.02Å; Q248-L252 HydrophobicContact CG-CD1 4.34Å; Q248-L252 VanDerWaalsContact O-CG 3.3Å; Q248-L252 WeakPolarHBondContact O-CG 3.38Å; Q248-L252 PolarHBondContact O-N 2.68Å |
| 249 | K | 93.5 | Very high | 91.2 | Very high | 124 Ų | 124 | 40.7 Ų | 40.7 | 54% | 0.539 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62 | -42.3 | 175.9 | -172.7 | -173.5 | 177.8 | -170.2 | 0 | 111.6 | P238 T247 F253 | P238-K249 PolarHBondContact O-NZ 2.99Å; T247-K249 PolarHBondContact O-N 3.2Å; K249-F253 WeakPolarHBondContact O-CB 3.27Å; K249-F253 PolarHBondContact O-N 2.94Å |
| 250 | G | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G240 T247 Q248 F253 L254 | G240-G250 WeakPolarHBondContact O-CA 3.27Å; T247-G250 CarbonylContact O-C 3.56Å; T247-G250 WeakPolarHBondContact O-CA 3.27Å; T247-G250 PolarHBondContact O-N 3.46Å; T247-G250 PolarHBondContact OG1-N 2.93Å; Q248-G250 VanDerWaalsContact C-N 3.35Å; Q248-G250 PolarHBondContact O-N 3.23Å; G250-F253 PolarHBondContact O-N 2.96Å; G250-L254 WeakPolarHBondContact O-CB 3.36Å; G250-L254 PolarHBondContact O-N 3.45Å |
| 251 | F | 94.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 176.8 | -178.7 | -100.5 | 0 | 0 | 0 | 112 | L189 I192 F193 L204 F212 L246 T247 Q248 F253 L254 H255 | L189-F251 HydrophobicContact CB-CE1 4.17Å; L189-F251 HydrophobicContact CD2-CE1 4.23Å; I192-F251 HydrophobicContact CG2-CZ 4.26Å; F193-F251 HydrophobicContact CB-CD1 4.03Å; F193-F251 HydrophobicContact CB-CE1 4.26Å; F193-F251 HydrophobicContact CD2-CB 3.76Å; F193-F251 HydrophobicContact CD2-CD1 4.09Å; F193-F251 AromaticContact CD2-CG 3.87Å; F193-F251 HydrophobicContact CD2-CG 3.87Å; F193-F251 HydrophobicContact CE2-CB 4.21Å; L204-F251 HydrophobicContact CD1-CD2 4.05Å; L204-F251 HydrophobicContact CD1-CE2 4.38Å; F212-F251 HydrophobicContact CE1-CE2 4.07Å; F212-F251 HydrophobicContact CE2-CE2 4.19Å; F212-F251 HydrophobicContact CE2-CZ 4.13Å; F212-F251 AromaticContact CZ-CE2 3.76Å; F212-F251 HydrophobicContact CZ-CE2 3.76Å; F212-F251 AromaticContact CZ-CZ 3.93Å; F212-F251 HydrophobicContact CZ-CZ 3.93Å; L246-F251 HydrophobicContact CD2-CB 4.07Å; L246-F251 HydrophobicContact CD2-CD2 4.17Å; L246-F251 HydrophobicContact CG-CB 4.44Å; T247-F251 PolarHBondContact O-N 3.38Å; Q248-F251 PolarHBondContact O-N 3.02Å; F251-F253 VanDerWaalsContact C-N 3.34Å; F251-F253 PolarHBondContact O-N 3.5Å; F251-L254 WeakPolarHBondContact O-CB 3.35Å; F251-L254 PolarHBondContact O-N 3.15Å; F251-H255 AromaticContact CE1-CD2 3.81Å; F251-H255 AromaticContact CE1-NE2 3.99Å; F251-H255 AromaticContact CE2-CD2 3.98Å; F251-H255 AromaticContact CE2-NE2 3.67Å; F251-H255 AromaticContact CZ-CD2 3.68Å; F251-H255 AromaticContact CZ-NE2 3.39Å; F251-H255 WeakPolarHBondContact CZ-NE2 3.37Å; F251-H255 PolarHBondContact O-CD2 2.77Å; F251-H255 PolarHBondContact O-N 2.64Å |
| 252 | L | 92.9 | Very high | 89.7 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 175.3 | -67.6 | 173.6 | 0 | 0 | 0 | 111.8 | I186 L189 Q248 L254 H255 L256 | I186-L252 HydrophobicContact CG2-CD1 4.03Å; I186-L252 HydrophobicContact CG2-CD2 4.35Å; L189-L252 HydrophobicContact CB-CD2 3.54Å; L189-L252 HydrophobicContact CD1-CD2 4.13Å; Q248-L252 HydrophobicContact CG-CD1 4.34Å; Q248-L252 VanDerWaalsContact O-CG 3.3Å; Q248-L252 WeakPolarHBondContact O-CG 3.38Å; Q248-L252 PolarHBondContact O-N 2.68Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 3.49Å; L252-H255 PolarHBondContact O-N 2.76Å; L252-L256 PolarHBondContact O-N 2.85Å |
| 253 | F | 91.7 | Very high | 89.4 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 17% | 0.167 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.6 | 177.6 | -96.4 | 0 | 0 | 0 | 112.4 | V233 C237 K249 G250 F251 H255 L256 M257 | V233-F253 HydrophobicContact CG1-CD1 4.32Å; V233-F253 HydrophobicContact CG2-CD1 4.46Å; C237-F253 HydrophobicContact CB-CB 4.14Å; C237-F253 HydrophobicContact CB-CD1 3.64Å; C237-F253 HydrophobicContact CB-CD2 4.03Å; C237-F253 HydrophobicContact CB-CE1 4.05Å; C237-F253 HydrophobicContact CB-CE2 4.39Å; C237-F253 HydrophobicContact CB-CG 3.64Å; C237-F253 HydrophobicContact CB-CZ 4.42Å; K249-F253 WeakPolarHBondContact O-CB 3.27Å; K249-F253 PolarHBondContact O-N 2.94Å; G250-F253 PolarHBondContact O-N 2.96Å; F251-F253 VanDerWaalsContact C-N 3.34Å; F251-F253 PolarHBondContact O-N 3.5Å; F253-H255 PolarHBondContact O-N 3.03Å; F253-L256 WeakPolarHBondContact O-CB 3.48Å; F253-L256 PolarHBondContact O-N 3.25Å; F253-M257 HydrophobicContact CD1-CG 4.03Å; F253-M257 HydrophobicContact CE1-CG 3.45Å; F253-M257 VanDerWaalsContact CE1-CG 3.45Å; F253-M257 HydrophobicContact CE1-SD 4.07Å; F253-M257 HydrophobicContact CE2-CE 3.72Å; F253-M257 HydrophobicContact CE2-CG 4.23Å; F253-M257 HydrophobicContact CE2-SD 4.29Å; F253-M257 HydrophobicContact CZ-CE 3.67Å; F253-M257 HydrophobicContact CZ-CG 3.56Å; F253-M257 HydrophobicContact CZ-SD 3.61Å; F253-M257 WeakPolarHBondContact O-CG 3.28Å; F253-M257 PolarHBondContact O-N 3.15Å |
| 254 | L | 91.1 | Very high | 89.2 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 10% | 0.099 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.9 | -178.1 | 66.1 | 0 | 0 | 0 | 111.3 | V229 V233 L246 G250 F251 L252 M257 F258 | V229-L254 HydrophobicContact CG1-CD1 3.97Å; V229-L254 HydrophobicContact CG1-CD2 3.85Å; V233-L254 HydrophobicContact CG2-CB 4.33Å; V233-L254 HydrophobicContact CG2-CD1 4.2Å; L246-L254 HydrophobicContact CD2-CD2 4.48Å; G250-L254 WeakPolarHBondContact O-CB 3.36Å; G250-L254 PolarHBondContact O-N 3.45Å; F251-L254 WeakPolarHBondContact O-CB 3.35Å; F251-L254 PolarHBondContact O-N 3.15Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 3.49Å; L254-M257 WeakPolarHBondContact O-CB 3.41Å; L254-M257 PolarHBondContact O-N 2.79Å; L254-F258 HydrophobicContact CD1-CE1 4.47Å; L254-F258 HydrophobicContact CD1-CE2 4.1Å; L254-F258 HydrophobicContact CD1-CZ 3.89Å; L254-F258 HydrophobicContact CD2-CE2 4.07Å; L254-F258 HydrophobicContact CD2-CZ 4.33Å; L254-F258 HydrophobicContact CG-CD2 4.32Å; L254-F258 HydrophobicContact CG-CE2 3.64Å; L254-F258 HydrophobicContact CG-CZ 3.94Å; L254-F258 WeakPolarHBondContact O-CD2 3.35Å; L254-F258 PolarHBondContact O-N 2.79Å |
| 255 | H | 90.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -37.7 | 175.5 | -82.2 | -72.2 | 0 | 0 | 0 | 112.9 | L189 F251 L252 F253 M257 F258 I259 T267 | L189-H255 HydrophobicContact CD1-CB 3.73Å; F251-H255 AromaticContact CE1-CD2 3.81Å; F251-H255 AromaticContact CE1-NE2 3.99Å; F251-H255 AromaticContact CE2-CD2 3.98Å; F251-H255 AromaticContact CE2-NE2 3.67Å; F251-H255 AromaticContact CZ-CD2 3.68Å; F251-H255 AromaticContact CZ-NE2 3.39Å; F251-H255 WeakPolarHBondContact CZ-NE2 3.37Å; F251-H255 PolarHBondContact O-CD2 2.77Å; F251-H255 PolarHBondContact O-N 2.64Å; L252-H255 PolarHBondContact O-N 2.76Å; F253-H255 PolarHBondContact O-N 3.03Å; H255-M257 VanDerWaalsContact C-N 3.31Å; H255-M257 PolarHBondContact O-N 3.25Å; H255-F258 PolarHBondContact O-N 2.79Å; H255-I259 WeakPolarHBondContact O-CB 3.49Å; H255-I259 WeakPolarHBondContact O-CD1 3.43Å; H255-I259 VanDerWaalsContact O-CG1 3.26Å; H255-I259 WeakPolarHBondContact O-CG1 3.34Å; H255-I259 PolarHBondContact O-N 3.24Å; H255-T267 HydrophobicContact CB-CG2 4.41Å; H255-T267 PolarHBondContact ND1-OG1 3.04Å |
| 256 | L | 89 | Confident | 88.9 | Confident | 75 Ų | 75 | 51.7 Ų | 51.7 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 171.6 | 178.8 | 64 | 0 | 0 | 0 | 111.6 | L252 F253 I259 Q260 | L252-L256 PolarHBondContact O-N 2.85Å; F253-L256 WeakPolarHBondContact O-CB 3.48Å; F253-L256 PolarHBondContact O-N 3.25Å; L256-I259 PolarHBondContact O-N 3.1Å; L256-Q260 HydrophobicContact CD1-CG 4.27Å; L256-Q260 WeakPolarHBondContact O-CB 3.33Å; L256-Q260 WeakPolarHBondContact O-CG 3.5Å; L256-Q260 PolarHBondContact O-N 2.77Å |
| 257 | M | 86.6 | Confident | 88.7 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 16% | 0.163 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.8 | -71.8 | -67.5 | 99.6 | 0 | 0 | 112.7 | F253 L254 H255 I259 Q260 K261 | F253-M257 HydrophobicContact CD1-CG 4.03Å; F253-M257 HydrophobicContact CE1-CG 3.45Å; F253-M257 VanDerWaalsContact CE1-CG 3.45Å; F253-M257 HydrophobicContact CE1-SD 4.07Å; F253-M257 HydrophobicContact CE2-CE 3.72Å; F253-M257 HydrophobicContact CE2-CG 4.23Å; F253-M257 HydrophobicContact CE2-SD 4.29Å; F253-M257 HydrophobicContact CZ-CE 3.67Å; F253-M257 HydrophobicContact CZ-CG 3.56Å; F253-M257 HydrophobicContact CZ-SD 3.61Å; F253-M257 WeakPolarHBondContact O-CG 3.28Å; F253-M257 PolarHBondContact O-N 3.15Å; L254-M257 WeakPolarHBondContact O-CB 3.41Å; L254-M257 PolarHBondContact O-N 2.79Å; H255-M257 VanDerWaalsContact C-N 3.31Å; H255-M257 PolarHBondContact O-N 3.25Å; M257-I259 VanDerWaalsContact C-N 3.31Å; M257-I259 PolarHBondContact O-N 3.12Å; M257-Q260 PolarHBondContact O-N 3.44Å; M257-K261 WeakPolarHBondContact O-CB 2.88Å; M257-K261 WeakPolarHBondContact O-CG 3.34Å; M257-K261 PolarHBondContact O-N 3.46Å |
| 258 | F | 86.4 | Confident | 88.4 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 174.6 | -68.7 | -42.2 | 0 | 0 | 0 | 111.2 | L254 H255 K261 G262 R263 T266 | L254-F258 HydrophobicContact CD1-CE1 4.47Å; L254-F258 HydrophobicContact CD1-CE2 4.1Å; L254-F258 HydrophobicContact CD1-CZ 3.89Å; L254-F258 HydrophobicContact CD2-CE2 4.07Å; L254-F258 HydrophobicContact CD2-CZ 4.33Å; L254-F258 HydrophobicContact CG-CD2 4.32Å; L254-F258 HydrophobicContact CG-CE2 3.64Å; L254-F258 HydrophobicContact CG-CZ 3.94Å; L254-F258 WeakPolarHBondContact O-CD2 3.35Å; L254-F258 PolarHBondContact O-N 2.79Å; H255-F258 PolarHBondContact O-N 2.79Å; F258-K261 PolarHBondContact O-N 3.12Å; F258-G262 PolarHBondContact O-N 3.41Å; F258-R263 HydrophobicContact CB-CB 4.32Å; F258-R263 CarbonylContact O-C 3.35Å; F258-R263 VanDerWaalsContact O-CA 3.28Å; F258-R263 WeakPolarHBondContact O-CA 3.42Å; F258-R263 WeakPolarHBondContact O-CB 3.43Å; F258-R263 PolarHBondContact O-N 3.32Å; F258-T266 HydrophobicContact CD2-CG2 4.1Å; F258-T266 HydrophobicContact CE2-CG2 4.13Å; F258-T266 HydrophobicContact CG-CG2 4.49Å |
| 259 | I | 84.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 179.4 | -69.6 | 164.1 | 0 | 0 | 0 | 111.5 | L177 Y178 H255 L256 M257 K261 G262 H264 T267 | L177-I259 HydrophobicContact CB-CD1 4.14Å; L177-I259 HydrophobicContact CD1-CD1 4.22Å; L177-I259 HydrophobicContact CD1-CG1 4.16Å; Y178-I259 HydrophobicContact CD1-CG2 4.4Å; Y178-I259 HydrophobicContact CD2-CG2 3.82Å; Y178-I259 HydrophobicContact CE1-CG2 3.8Å; Y178-I259 HydrophobicContact CE2-CG2 3.12Å; Y178-I259 HydrophobicContact CG-CG2 4.42Å; Y178-I259 VanDerWaalsContact OH-C 3.3Å; Y178-I259 VanDerWaalsContact OH-CG2 3.26Å; Y178-I259 WeakPolarHBondContact OH-CG2 3.48Å; Y178-I259 PolarHBondContact OH-O 2.9Å; Y178-I259 VanDerWaalsContact OH-O 3.08Å; H255-I259 WeakPolarHBondContact O-CB 3.49Å; H255-I259 WeakPolarHBondContact O-CD1 3.43Å; H255-I259 VanDerWaalsContact O-CG1 3.26Å; H255-I259 WeakPolarHBondContact O-CG1 3.34Å; H255-I259 PolarHBondContact O-N 3.24Å; L256-I259 PolarHBondContact O-N 3.1Å; M257-I259 VanDerWaalsContact C-N 3.31Å; M257-I259 PolarHBondContact O-N 3.12Å; I259-K261 VanDerWaalsContact C-N 3.31Å; I259-K261 PolarHBondContact O-N 3.28Å; I259-G262 PolarHBondContact O-N 2.84Å; I259-G262 VanDerWaalsContact O-N 3.13Å; I259-H264 HydrophobicContact CG1-CB 4.16Å; I259-T267 HydrophobicContact CD1-CG2 4.13Å |
| 260 | Q | 82.8 | Confident | 88 | Confident | 112 Ų | 112 | 42.4 Ų | 42.4 | 52% | 0.523 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.7 | -29 | 178.5 | -73.8 | -177.5 | -13.4 | 0 | 0 | 113.8 | Y178 L256 M257 G262 | Y178-Q260 WeakPolarHBondContact OH-CA 3.39Å; Y178-Q260 PolarHBondContact OH-N 3.28Å; L256-Q260 HydrophobicContact CD1-CG 4.27Å; L256-Q260 WeakPolarHBondContact O-CB 3.33Å; L256-Q260 WeakPolarHBondContact O-CG 3.5Å; L256-Q260 PolarHBondContact O-N 2.77Å; M257-Q260 PolarHBondContact O-N 3.44Å; Q260-G262 PolarHBondContact O-N 2.89Å |
| 261 | K | 82.8 | Confident | 87.9 | Confident | 139 Ų | 139 | 42.4 Ų | 42.4 | 60% | 0.604 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 10.8 | 174.7 | -69 | -172.8 | 176.5 | -174.3 | 0 | 113.5 | M257 F258 I259 R263 | M257-K261 WeakPolarHBondContact O-CB 2.88Å; M257-K261 WeakPolarHBondContact O-CG 3.34Å; M257-K261 PolarHBondContact O-N 3.46Å; F258-K261 PolarHBondContact O-N 3.12Å; I259-K261 VanDerWaalsContact C-N 3.31Å; I259-K261 PolarHBondContact O-N 3.28Å; K261-R263 VanDerWaalsContact C-N 3.25Å; K261-R263 PolarHBondContact O-N 2.68Å |
| 262 | G | 77 | Confident | 87.6 | Confident | 52 Ų | 52 | 42.7 Ų | 42.7 | 54% | 0.536 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 10.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F258 I259 Q260 H264 | F258-G262 PolarHBondContact O-N 3.41Å; I259-G262 PolarHBondContact O-N 2.84Å; I259-G262 VanDerWaalsContact O-N 3.13Å; Q260-G262 PolarHBondContact O-N 2.89Å; G262-H264 PolarHBondContact O-N 3.15Å; G262-H264 PolarHBondContact O-ND1 3.41Å |
| 263 | R | 84.5 | Confident | 87.4 | Confident | 162 Ų | 162 | 43.7 Ų | 43.7 | 61% | 0.611 | 21% | 0.212 | S | C | * | . | trans | -98.4 | 39.3 | 178.1 | -57.6 | -173.3 | -179.9 | -174.3 | -1.6 | 112 | F258 K261 E265 T266 | F258-R263 HydrophobicContact CB-CB 4.32Å; F258-R263 CarbonylContact O-C 3.35Å; F258-R263 VanDerWaalsContact O-CA 3.28Å; F258-R263 WeakPolarHBondContact O-CA 3.42Å; F258-R263 WeakPolarHBondContact O-CB 3.43Å; F258-R263 PolarHBondContact O-N 3.32Å; K261-R263 VanDerWaalsContact C-N 3.25Å; K261-R263 PolarHBondContact O-N 2.68Å; R263-E265 PolarHBondContact O-N 2.9Å; R263-T266 WeakPolarHBondContact O-CB 3.37Å; R263-T266 PolarHBondContact O-N 2.99Å; R263-T266 PolarHBondContact O-OG1 3.12Å | ||
| 264 | H | 84 | Confident | 87.4 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 19% | 0.194 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -24.2 | -178.6 | 49.8 | -88.7 | 0 | 0 | 0 | 113.1 | Y172 L177 I259 G262 T266 T267 W268 | Y172-H264 PolarHBondContact O-CD2 3.49Å; L177-H264 HydrophobicContact CD1-CB 3.74Å; I259-H264 HydrophobicContact CG1-CB 4.16Å; G262-H264 PolarHBondContact O-N 3.15Å; G262-H264 PolarHBondContact O-ND1 3.41Å; H264-T266 PolarHBondContact O-N 2.98Å; H264-T267 WeakPolarHBondContact O-CB 3.39Å; H264-T267 PolarHBondContact O-N 3.2Å; H264-W268 PolarHBondContact O-N 3.16Å |
| 265 | E | 86.1 | Confident | 87.4 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 29% | 0.285 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -51.6 | -42.7 | 171.1 | -176.5 | -179.1 | 163.3 | 0 | 0 | 111.9 | K168 Y172 R263 T267 W268 T269 | K168-E265 IonicContact NZ-OE1 3.24Å; K168-E265 IonicContact NZ-OE2 3.57Å; K168-E265 PolarHBondContact NZ-OE2 3.26Å; Y172-E265 HydrophobicContact CD1-CG 4.33Å; Y172-E265 HydrophobicContact CD2-CG 4.28Å; Y172-E265 HydrophobicContact CE1-CG 4.1Å; Y172-E265 HydrophobicContact CE2-CG 4.07Å; Y172-E265 HydrophobicContact CG-CG 4.4Å; R263-E265 PolarHBondContact O-N 2.9Å; E265-T267 VanDerWaalsContact C-N 3.28Å; E265-T267 PolarHBondContact O-N 3.42Å; E265-W268 CarbonylContact O-C 3.58Å; E265-W268 PolarHBondContact O-N 3.31Å; E265-W268 VanDerWaalsContact O-N 3.09Å; E265-T269 PolarHBondContact O-N 3.41Å; E265-T269 PolarHBondContact O-OG1 3.16Å |
| 266 | T | 87.7 | Confident | 87.4 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 24% | 0.239 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | F217 F258 R263 H264 V270 | F217-T266 HydrophobicContact CE1-CG2 4.03Å; F217-T266 HydrophobicContact CZ-CG2 3.57Å; F258-T266 HydrophobicContact CD2-CG2 4.1Å; F258-T266 HydrophobicContact CE2-CG2 4.13Å; F258-T266 HydrophobicContact CG-CG2 4.49Å; R263-T266 WeakPolarHBondContact O-CB 3.37Å; R263-T266 PolarHBondContact O-N 2.99Å; R263-T266 PolarHBondContact O-OG1 3.12Å; H264-T266 PolarHBondContact O-N 2.98Å; T266-V270 WeakPolarHBondContact O-CG2 3.23Å; T266-V270 PolarHBondContact O-N 3.28Å |
| 267 | T | 90.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.6 | -41.4 | 176 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | L177 L189 H255 I259 H264 E265 V270 L271 | L177-T267 HydrophobicContact CD2-CG2 4.27Å; L189-T267 HydrophobicContact CD1-CG2 4.48Å; L189-T267 HydrophobicContact CD2-CG2 4.36Å; H255-T267 HydrophobicContact CB-CG2 4.41Å; H255-T267 PolarHBondContact ND1-OG1 3.04Å; I259-T267 HydrophobicContact CD1-CG2 4.13Å; H264-T267 WeakPolarHBondContact O-CB 3.39Å; H264-T267 PolarHBondContact O-N 3.2Å; E265-T267 VanDerWaalsContact C-N 3.28Å; E265-T267 PolarHBondContact O-N 3.42Å; T267-V270 PolarHBondContact O-N 3.25Å; T267-L271 HydrophobicContact CG2-CD1 4.04Å; T267-L271 HydrophobicContact CG2-CG 4.46Å; T267-L271 WeakPolarHBondContact O-CG 3.19Å; T267-L271 PolarHBondContact O-N 2.91Å |
| 268 | W | 90.2 | Very high | 87 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 175 | -86.2 | 118.9 | 0 | 0 | 0 | 112.8 | Y172 P173 P176 L177 H264 E265 V270 L271 R272 G277 M280 | Y172-W268 HydrophobicContact CD1-CB 3.63Å; Y172-W268 HydrophobicContact CD1-CG 4.04Å; Y172-W268 HydrophobicContact CE1-CB 4.34Å; P173-W268 HydrophobicContact CG-CZ2 3.84Å; P173-W268 WeakPolarHBondContact O-CZ2 3.5Å; P173-W268 PolarHBondContact O-NE1 2.9Å; P176-W268 HydrophobicContact CB-CH2 4.3Å; P176-W268 HydrophobicContact CB-CZ2 4.12Å; P176-W268 HydrophobicContact CG-CZ2 4.21Å; L177-W268 HydrophobicContact CD1-CG 4.44Å; L177-W268 HydrophobicContact CD2-CZ2 4.07Å; L177-W268 HydrophobicContact CG-CZ2 4.09Å; H264-W268 PolarHBondContact O-N 3.16Å; E265-W268 CarbonylContact O-C 3.58Å; E265-W268 PolarHBondContact O-N 3.31Å; E265-W268 VanDerWaalsContact O-N 3.09Å; W268-V270 VanDerWaalsContact C-N 3.25Å; W268-V270 PolarHBondContact O-N 2.89Å; W268-L271 HydrophobicContact CD2-CD1 4.35Å; W268-L271 HydrophobicContact CE3-CB 4.16Å; W268-L271 HydrophobicContact CE3-CD1 3.92Å; W268-L271 HydrophobicContact CZ3-CD1 4.11Å; W268-L271 PolarHBondContact O-N 3.02Å; W268-L271 VanDerWaalsContact O-N 3.15Å; W268-R272 WeakPolarHBondContact O-CB 3.35Å; W268-R272 VanDerWaalsContact O-CG 3.28Å; W268-R272 WeakPolarHBondContact O-CG 3.44Å; W268-R272 PolarHBondContact O-N 2.81Å; W268-G277 WeakPolarHBondContact CZ3-O 3.43Å; W268-M280 HydrophobicContact CH2-SD 3.55Å; W268-M280 VanDerWaalsContact CH2-SD 3.55Å; W268-M280 HydrophobicContact CZ2-SD 4.33Å; W268-M280 HydrophobicContact CZ3-SD 3.94Å |
| 269 | T | 88.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.4 | -45.4 | 175.8 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | M1 F217 E265 R273 | M1-T269 HydrophobicContact CE-CG2 3.9Å; M1-T269 HydrophobicContact SD-CG2 4.08Å; F217-T269 HydrophobicContact CD1-CG2 4.04Å; F217-T269 HydrophobicContact CE1-CG2 3.73Å; E265-T269 PolarHBondContact O-N 3.41Å; E265-T269 PolarHBondContact O-OG1 3.16Å; T269-R273 WeakPolarHBondContact O-CB 3.27Å; T269-R273 PolarHBondContact O-N 3.35Å |
| 270 | V | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -53.5 | 175.2 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | I192 F212 C216 F217 T266 T267 W268 R272 R273 F274 | I192-V270 HydrophobicContact CD1-CG1 3.88Å; I192-V270 HydrophobicContact CG2-CG1 4.14Å; F212-V270 HydrophobicContact CE1-CG2 4.45Å; F212-V270 HydrophobicContact CE2-CG1 3.76Å; F212-V270 HydrophobicContact CE2-CG2 4.34Å; F212-V270 HydrophobicContact CZ-CB 4.37Å; F212-V270 HydrophobicContact CZ-CG1 3.72Å; F212-V270 HydrophobicContact CZ-CG2 3.66Å; C216-V270 HydrophobicContact CB-CG2 4.1Å; F217-V270 HydrophobicContact CE2-CG2 3.99Å; F217-V270 HydrophobicContact CZ-CG2 3.71Å; T266-V270 WeakPolarHBondContact O-CG2 3.23Å; T266-V270 PolarHBondContact O-N 3.28Å; T267-V270 PolarHBondContact O-N 3.25Å; W268-V270 VanDerWaalsContact C-N 3.25Å; W268-V270 PolarHBondContact O-N 2.89Å; V270-R272 VanDerWaalsContact C-N 3.35Å; V270-R272 PolarHBondContact O-N 3.39Å; V270-R273 PolarHBondContact O-N 3.47Å; V270-R273 VanDerWaalsContact O-N 3.15Å; V270-F274 HydrophobicContact CG1-CD2 4.48Å; V270-F274 WeakPolarHBondContact O-CD2 2.96Å; V270-F274 PolarHBondContact O-N 3.24Å |
| 271 | L | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.6 | -48.8 | 178.8 | -72 | 168.6 | 0 | 0 | 0 | 111.8 | L177 A188 L189 I192 T267 W268 R273 F274 G275 Y276 M280 | L177-L271 HydrophobicContact CD2-CD1 3.72Å; A188-L271 HydrophobicContact CB-CD2 3.68Å; L189-L271 HydrophobicContact CD2-CD2 4.21Å; L189-L271 HydrophobicContact CG-CD2 4.5Å; I192-L271 HydrophobicContact CD1-CD2 4.05Å; T267-L271 HydrophobicContact CG2-CD1 4.04Å; T267-L271 HydrophobicContact CG2-CG 4.46Å; T267-L271 WeakPolarHBondContact O-CG 3.19Å; T267-L271 PolarHBondContact O-N 2.91Å; W268-L271 HydrophobicContact CD2-CD1 4.35Å; W268-L271 HydrophobicContact CE3-CB 4.16Å; W268-L271 HydrophobicContact CE3-CD1 3.92Å; W268-L271 HydrophobicContact CZ3-CD1 4.11Å; W268-L271 PolarHBondContact O-N 3.02Å; W268-L271 VanDerWaalsContact O-N 3.15Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 PolarHBondContact O-N 2.78Å; L271-F274 CarbonylContact O-C 3.5Å; L271-F274 PolarHBondContact O-N 3.49Å; L271-F274 VanDerWaalsContact O-N 3.15Å; L271-G275 PolarHBondContact O-N 3.39Å; L271-Y276 HydrophobicContact CB-CD2 4.46Å; L271-Y276 HydrophobicContact CD2-CD2 3.99Å; L271-Y276 HydrophobicContact CD2-CE2 4.5Å; L271-Y276 HydrophobicContact CD2-CG 4.2Å; L271-Y276 WeakPolarHBondContact O-CB 3.35Å; L271-Y276 WeakPolarHBondContact O-CD2 3.49Å; L271-Y276 PolarHBondContact O-N 3.13Å; L271-M280 HydrophobicContact CD1-CE 3.79Å; L271-M280 HydrophobicContact CD1-SD 4.03Å; L271-M280 HydrophobicContact CD2-CE 4.05Å |
| 272 | R | 89.3 | Confident | 87.3 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 3% | 0.034 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 179.1 | -66.6 | -40.5 | -164.9 | 141.3 | 6.4 | 112.2 | Q3 W268 V270 F274 G275 Y276 G277 N278 | Q3-R272 PolarHBondContact NE2-O 3.41Å; Q3-R272 PolarHBondContact O-NH1 3.39Å; W268-R272 WeakPolarHBondContact O-CB 3.35Å; W268-R272 VanDerWaalsContact O-CG 3.28Å; W268-R272 WeakPolarHBondContact O-CG 3.44Å; W268-R272 PolarHBondContact O-N 2.81Å; V270-R272 VanDerWaalsContact C-N 3.35Å; V270-R272 PolarHBondContact O-N 3.39Å; R272-F274 PolarHBondContact O-N 2.97Å; R272-G275 PolarHBondContact O-N 3.27Å; R272-Y276 WeakPolarHBondContact CD-O 3.44Å; R272-Y276 PolarHBondContact NE-O 3.23Å; R272-Y276 PolarHBondContact NH1-O 2.94Å; R272-G277 VanDerWaalsContact NH1-CA 3.27Å; R272-N278 VanDerWaalsContact NH2-CG 3.35Å; R272-N278 PolarHBondContact NH2-OD1 3.45Å |
| 273 | R | 87.9 | Confident | 87.8 | Confident | 58 Ų | 58 | 38.9 Ų | 38.9 | 22% | 0.219 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -25.7 | 178.6 | -165.6 | 65.6 | 173.9 | 119.6 | 0.6 | 113 | R215 T269 V270 L271 S457 | R215-R273 HydrophobicContact CG-CG 4.15Å; R215-R273 WeakPolarHBondContact O-CG 3.42Å; R215-R273 PolarHBondContact O-NE 2.88Å; T269-R273 WeakPolarHBondContact O-CB 3.27Å; T269-R273 PolarHBondContact O-N 3.35Å; V270-R273 PolarHBondContact O-N 3.47Å; V270-R273 VanDerWaalsContact O-N 3.15Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 PolarHBondContact O-N 2.78Å; R273-S457 PolarHBondContact NH1-OG 2.81Å; R273-S457 VanDerWaalsContact NH1-OG 3.07Å |
| 274 | F | 92.2 | Very high | 88 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 12.7 | 175.1 | -75.7 | -94.2 | 0 | 0 | 0 | 113.8 | R191 I192 I195 C196 F212 V270 L271 R272 Y276 L282 Y390 | R191-F274 PolarHBondContact NH1-O 3.19Å; I192-F274 HydrophobicContact CB-CG 4.42Å; I192-F274 HydrophobicContact CD1-CB 3.74Å; I192-F274 HydrophobicContact CD1-CD2 3.93Å; I192-F274 HydrophobicContact CD1-CG 3.91Å; I192-F274 HydrophobicContact CG1-CB 3.71Å; I192-F274 HydrophobicContact CG1-CD1 4Å; I192-F274 HydrophobicContact CG1-CD2 3.98Å; I192-F274 HydrophobicContact CG1-CG 3.63Å; I192-F274 HydrophobicContact CG2-CD1 4.29Å; I192-F274 HydrophobicContact CG2-CD2 3.81Å; I192-F274 HydrophobicContact CG2-CE1 4.13Å; I192-F274 HydrophobicContact CG2-CE2 3.64Å; I192-F274 HydrophobicContact CG2-CG 4.14Å; I192-F274 HydrophobicContact CG2-CZ 3.82Å; I195-F274 HydrophobicContact CB-CE1 4.29Å; I195-F274 HydrophobicContact CD1-CD1 4.29Å; I195-F274 HydrophobicContact CG2-CE1 3.86Å; C196-F274 VanDerWaalsContact SG-CZ 3.58Å; F212-F274 HydrophobicContact CD2-CE2 4.27Å; F212-F274 HydrophobicContact CD2-CZ 4.42Å; F212-F274 HydrophobicContact CE2-CE2 4.12Å; V270-F274 HydrophobicContact CG1-CD2 4.48Å; V270-F274 WeakPolarHBondContact O-CD2 2.96Å; V270-F274 PolarHBondContact O-N 3.24Å; L271-F274 CarbonylContact O-C 3.5Å; L271-F274 PolarHBondContact O-N 3.49Å; L271-F274 VanDerWaalsContact O-N 3.15Å; R272-F274 PolarHBondContact O-N 2.97Å; F274-Y276 HydrophobicContact CB-CD2 4.28Å; F274-Y276 HydrophobicContact CB-CE2 4.34Å; F274-L282 WeakPolarHBondContact O-CD2 3.34Å; F274-Y390 AromaticContact CE1-CD2 3.89Å; F274-Y390 HydrophobicContact CE1-CD2 3.89Å; F274-Y390 HydrophobicContact CE1-CG 4.36Å; F274-Y390 AromaticContact CZ-CD2 3.81Å; F274-Y390 HydrophobicContact CZ-CD2 3.81Å; F274-Y390 HydrophobicContact CZ-CE2 4.07Å |
| 275 | G | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 3.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L271 R272 L282 S283 | L271-G275 PolarHBondContact O-N 3.39Å; R272-G275 PolarHBondContact O-N 3.27Å; G275-L282 CarbonylContact O-C 3.57Å; G275-L282 WeakPolarHBondContact O-CA 3.33Å; G275-S283 PolarHBondContact O-N 3.11Å |
| 276 | Y | 90.6 | Very high | 88 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -74.9 | 140.7 | -175.5 | -72 | -83.6 | 0 | 0 | 0 | 113.7 | Q3 A188 R191 I192 L271 R272 F274 M280 R281 L282 | Q3-Y276 PolarHBondContact OE1-O 3.09Å; Q3-Y276 VanDerWaalsContact OE1-O 3.09Å; A188-Y276 WeakPolarHBondContact CA-OH 3.4Å; A188-Y276 HydrophobicContact CB-CD1 3.96Å; A188-Y276 HydrophobicContact CB-CD2 4.37Å; A188-Y276 HydrophobicContact CB-CE1 3.48Å; A188-Y276 VanDerWaalsContact CB-CE1 3.48Å; A188-Y276 HydrophobicContact CB-CE2 3.92Å; A188-Y276 HydrophobicContact CB-CG 4.39Å; A188-Y276 VanDerWaalsContact CB-CZ 3.47Å; R191-Y276 WeakPolarHBondContact CD-OH 3.11Å; R191-Y276 VanDerWaalsContact NH1-CE2 3.27Å; R191-Y276 PolarHBondContact NH1-OH 3.33Å; I192-Y276 HydrophobicContact CD1-CD2 4.26Å; I192-Y276 HydrophobicContact CD1-CE2 4.04Å; I192-Y276 HydrophobicContact CG1-CE2 4.12Å; L271-Y276 HydrophobicContact CB-CD2 4.46Å; L271-Y276 HydrophobicContact CD2-CD2 3.99Å; L271-Y276 HydrophobicContact CD2-CE2 4.5Å; L271-Y276 HydrophobicContact CD2-CG 4.2Å; L271-Y276 WeakPolarHBondContact O-CB 3.35Å; L271-Y276 WeakPolarHBondContact O-CD2 3.49Å; L271-Y276 PolarHBondContact O-N 3.13Å; R272-Y276 WeakPolarHBondContact CD-O 3.44Å; R272-Y276 PolarHBondContact NE-O 3.23Å; R272-Y276 PolarHBondContact NH1-O 2.94Å; F274-Y276 HydrophobicContact CB-CD2 4.28Å; F274-Y276 HydrophobicContact CB-CE2 4.34Å; Y276-M280 WeakPolarHBondContact CD1-O 2.96Å; Y276-M280 WeakPolarHBondContact CE1-O 3.49Å; Y276-R281 CarbonylContact C-O 3.55Å; Y276-R281 WeakPolarHBondContact CA-O 3.37Å; Y276-L282 HydrophobicContact CD1-CD2 3.98Å; Y276-L282 HydrophobicContact CD2-CD2 3.93Å; Y276-L282 HydrophobicContact CE1-CD2 3.91Å; Y276-L282 HydrophobicContact CE1-CG 4.34Å; Y276-L282 HydrophobicContact CE2-CD2 3.87Å; Y276-L282 HydrophobicContact CG-CD2 3.98Å |
| 277 | G | 85 | Confident | 88.1 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 9% | 0.093 | 17% | 0.172 | C | C | . | . | trans | -84.8 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W268 R272 H279 M280 R281 | W268-G277 WeakPolarHBondContact CZ3-O 3.43Å; R272-G277 VanDerWaalsContact NH1-CA 3.27Å; G277-H279 PolarHBondContact O-N 3.32Å; G277-M280 PolarHBondContact O-N 3.21Å; G277-M280 VanDerWaalsContact O-N 3.12Å; G277-R281 PolarHBondContact N-O 3.29Å | ||
| 278 | N | 81 | Confident | 88.1 | Confident | 35 Ų | 35 | 42 Ų | 42 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -26.9 | 169.2 | -79.4 | -5.3 | 0 | 0 | 0 | 112.5 | V170 P173 P176 R272 M280 | V170-N278 PolarHBondContact O-ND2 2.68Å; P173-N278 HydrophobicContact CG-CB 4.35Å; P176-N278 WeakPolarHBondContact CG-O 3.39Å; R272-N278 VanDerWaalsContact NH2-CG 3.35Å; R272-N278 PolarHBondContact NH2-OD1 3.45Å; N278-M280 PolarHBondContact O-N 3.21Å |
| 279 | H | 80.5 | Confident | 88.2 | Confident | 148 Ų | 148 | 42.2 Ų | 42.2 | 69% | 0.685 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 15.5 | 176.4 | -47.4 | 105.1 | 0 | 0 | 0 | 113.7 | G277 R281 | G277-H279 PolarHBondContact O-N 3.32Å; H279-R281 PolarHBondContact O-N 3.07Å |
| 280 | M | 86 | Confident | 88.2 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 55.9 | 18.4 | 179.9 | -58.9 | -58.7 | -70.1 | 0 | 0 | 115.5 | P176 L177 E184 C185 A188 W268 L271 Y276 G277 N278 | P176-M280 HydrophobicContact CB-CG 3.83Å; P176-M280 HydrophobicContact CB-SD 4.28Å; L177-M280 HydrophobicContact CD2-CE 4.47Å; L177-M280 HydrophobicContact CD2-SD 4.42Å; E184-M280 HydrophobicContact CB-CB 3.97Å; C185-M280 HydrophobicContact CB-CE 3.54Å; A188-M280 HydrophobicContact CB-CE 4Å; W268-M280 HydrophobicContact CH2-SD 3.55Å; W268-M280 VanDerWaalsContact CH2-SD 3.55Å; W268-M280 HydrophobicContact CZ2-SD 4.33Å; W268-M280 HydrophobicContact CZ3-SD 3.94Å; L271-M280 HydrophobicContact CD1-CE 3.79Å; L271-M280 HydrophobicContact CD1-SD 4.03Å; L271-M280 HydrophobicContact CD2-CE 4.05Å; Y276-M280 WeakPolarHBondContact CD1-O 2.96Å; Y276-M280 WeakPolarHBondContact CE1-O 3.49Å; G277-M280 PolarHBondContact O-N 3.21Å; G277-M280 VanDerWaalsContact O-N 3.12Å; N278-M280 PolarHBondContact O-N 3.21Å |
| 281 | R | 87.4 | Confident | 88.2 | Confident | 178 Ų | 178 | 54 Ų | 54 | 67% | 0.672 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -107.8 | 153.8 | 170.8 | -65 | -179.2 | -174.4 | -173.4 | 1.6 | 109.9 | Y276 G277 H279 S283 | Y276-R281 CarbonylContact C-O 3.55Å; Y276-R281 WeakPolarHBondContact CA-O 3.37Å; G277-R281 PolarHBondContact N-O 3.29Å; H279-R281 PolarHBondContact O-N 3.07Å; R281-S283 PolarHBondContact O-N 2.96Å |
| 282 | L | 90.7 | Very high | 88.2 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 136.1 | 170.4 | -66.7 | -173.1 | 0 | 0 | 0 | 109.4 | F274 G275 Y276 F286 I287 Y385 | F274-L282 WeakPolarHBondContact O-CD2 3.34Å; G275-L282 CarbonylContact O-C 3.57Å; G275-L282 WeakPolarHBondContact O-CA 3.33Å; Y276-L282 HydrophobicContact CD1-CD2 3.98Å; Y276-L282 HydrophobicContact CD2-CD2 3.93Å; Y276-L282 HydrophobicContact CE1-CD2 3.91Å; Y276-L282 HydrophobicContact CE1-CG 4.34Å; Y276-L282 HydrophobicContact CE2-CD2 3.87Å; Y276-L282 HydrophobicContact CG-CD2 3.98Å; L282-F286 HydrophobicContact CD1-CD1 4.3Å; L282-F286 HydrophobicContact CD1-CE1 4.21Å; L282-F286 HydrophobicContact CD2-CD1 4.43Å; L282-F286 HydrophobicContact CD2-CE1 4.38Å; L282-I287 HydrophobicContact CB-CD1 3.31Å; L282-I287 HydrophobicContact CB-CG1 3.68Å; L282-I287 HydrophobicContact CD1-CD1 4.24Å; L282-I287 HydrophobicContact CD1-CG1 4.24Å; L282-I287 HydrophobicContact CG-CD1 4.39Å; L282-Y385 HydrophobicContact CD1-CD1 3.54Å; L282-Y385 HydrophobicContact CD1-CD2 4.44Å; L282-Y385 HydrophobicContact CD1-CE1 3.38Å; L282-Y385 HydrophobicContact CD1-CE2 4.33Å; L282-Y385 HydrophobicContact CD1-CG 4.07Å; L282-Y385 HydrophobicContact CG-CD1 4.43Å; L282-Y385 HydrophobicContact CG-CE1 3.88Å |
| 283 | S | 87.6 | Confident | 88.4 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 16% | 0.161 | 29% | 0.29 | C | S | . | . | trans | -68.3 | 143 | -178.9 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | G275 R281 Q285 F286 I287 | G275-S283 PolarHBondContact O-N 3.11Å; R281-S283 PolarHBondContact O-N 2.96Å; S283-Q285 PolarHBondContact O-N 3.04Å; S283-Q285 VanDerWaalsContact O-N 3.16Å; S283-F286 WeakPolarHBondContact O-CB 3.19Å; S283-F286 PolarHBondContact O-N 3.44Å; S283-F286 VanDerWaalsContact OG-CB 3.28Å; S283-F286 WeakPolarHBondContact OG-CB 3.03Å; S283-F286 PolarHBondContact OG-N 3.4Å; S283-I287 WeakPolarHBondContact O-CG1 3.36Å; S283-I287 PolarHBondContact O-N 3.44Å; S283-I287 VanDerWaalsContact O-N 3.16Å | ||
| 284 | E | 86.8 | Confident | 88.5 | Confident | 153 Ų | 153 | 61.9 Ų | 61.9 | 72% | 0.715 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.1 | -34.8 | 176 | -67.4 | -174.7 | 174 | 0 | 0 | 111.9 | F286 I287 Y288 | E284-F286 VanDerWaalsContact C-N 3.25Å; E284-F286 PolarHBondContact O-N 3.45Å; E284-I287 PolarHBondContact O-N 3.14Å; E284-Y288 HydrophobicContact CB-CD2 4.25Å; E284-Y288 WeakPolarHBondContact O-CA 3.34Å; E284-Y288 WeakPolarHBondContact O-CB 3.18Å; E284-Y288 PolarHBondContact O-N 3.33Å |
| 285 | Q | 82.9 | Confident | 88.2 | Confident | 118 Ų | 118 | 67.2 Ų | 67.2 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.1 | -33.1 | 177.6 | -62.8 | -179.4 | 13.1 | 0 | 0 | 112.5 | S283 N462 | S283-Q285 PolarHBondContact O-N 3.04Å; S283-Q285 VanDerWaalsContact O-N 3.16Å; Q285-N462 PolarHBondContact O-ND2 3.08Å; Q285-N462 PolarHBondContact O-OD1 2.96Å |
| 286 | F | 87.9 | Confident | 88 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -78.7 | -35.7 | 179.1 | 179.5 | -96.9 | 0 | 0 | 0 | 112.5 | L282 S283 E284 A384 T389 M458 A461 L465 | L282-F286 HydrophobicContact CD1-CD1 4.3Å; L282-F286 HydrophobicContact CD1-CE1 4.21Å; L282-F286 HydrophobicContact CD2-CD1 4.43Å; L282-F286 HydrophobicContact CD2-CE1 4.38Å; S283-F286 WeakPolarHBondContact O-CB 3.19Å; S283-F286 PolarHBondContact O-N 3.44Å; S283-F286 VanDerWaalsContact OG-CB 3.28Å; S283-F286 WeakPolarHBondContact OG-CB 3.03Å; S283-F286 PolarHBondContact OG-N 3.4Å; E284-F286 VanDerWaalsContact C-N 3.25Å; E284-F286 PolarHBondContact O-N 3.45Å; F286-A384 HydrophobicContact CD1-CB 4.14Å; F286-A384 HydrophobicContact CE1-CB 3.84Å; F286-T389 HydrophobicContact CE2-CG2 4.31Å; F286-T389 HydrophobicContact CZ-CG2 4.21Å; F286-T389 WeakPolarHBondContact CZ-OG1 3.47Å; F286-M458 HydrophobicContact CB-SD 4.48Å; F286-M458 HydrophobicContact CD2-CE 4.12Å; F286-M458 HydrophobicContact CD2-SD 4.27Å; F286-A461 HydrophobicContact CD2-CB 3.96Å; F286-A461 HydrophobicContact CE2-CB 3.94Å; F286-L465 WeakPolarHBondContact O-CD2 3.21Å |
| 287 | I | 90.4 | Very high | 88.2 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -89.2 | -36.3 | -174.9 | -55.7 | 174.6 | 0 | 0 | 0 | 111.7 | L282 S283 E284 P289 E381 Y385 | L282-I287 HydrophobicContact CB-CD1 3.31Å; L282-I287 HydrophobicContact CB-CG1 3.68Å; L282-I287 HydrophobicContact CD1-CD1 4.24Å; L282-I287 HydrophobicContact CD1-CG1 4.24Å; L282-I287 HydrophobicContact CG-CD1 4.39Å; S283-I287 WeakPolarHBondContact O-CG1 3.36Å; S283-I287 PolarHBondContact O-N 3.44Å; S283-I287 VanDerWaalsContact O-N 3.16Å; E284-I287 PolarHBondContact O-N 3.14Å; I287-P289 WeakPolarHBondContact O-CD 3.3Å; I287-E381 VanDerWaalsContact CG2-CA 3.41Å; I287-E381 HydrophobicContact CG2-CB 3.37Å; I287-E381 HydrophobicContact CG2-CG 3.43Å; I287-E381 VanDerWaalsContact CG2-CG 3.43Å; I287-Y385 HydrophobicContact CD1-CE2 4.13Å |
| 288 | Y | 91.1 | Very high | 88.6 | Confident | 93 Ų | 93 | 69.5 Ų | 69.5 | 37% | 0.365 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -116.9 | 67.5 | -174.5 | -55 | -59.7 | 0 | 0 | 0 | 111.2 | E284 K290 E381 | E284-Y288 HydrophobicContact CB-CD2 4.25Å; E284-Y288 WeakPolarHBondContact O-CA 3.34Å; E284-Y288 WeakPolarHBondContact O-CB 3.18Å; E284-Y288 PolarHBondContact O-N 3.33Å; Y288-K290 PolarHBondContact O-N 2.94Å; Y288-E381 HydrophobicContact CE1-CB 4.07Å; Y288-E381 PolarHBondContact OH-OE1 3.06Å; Y288-E381 PolarHBondContact OH-OE2 2.97Å |
| 289 | P | 90.7 | Very high | 89.4 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | trans | -61.3 | 141.5 | 173.5 | 30 | -35.8 | 0 | 0 | 0 | 109.4 | I287 F291 L380 N462 L465 L466 | I287-P289 WeakPolarHBondContact O-CD 3.3Å; P289-F291 WeakPolarHBondContact O-CD1 3.32Å; P289-F291 PolarHBondContact O-N 3.27Å; P289-L380 HydrophobicContact CG-CD1 3.82Å; P289-N462 HydrophobicContact CB-CB 4.05Å; P289-L465 HydrophobicContact CG-CD2 4.11Å; P289-L465 HydrophobicContact CG-CG 4.43Å; P289-L466 HydrophobicContact CB-CD1 4.14Å; P289-L466 HydrophobicContact CB-CD2 4.04Å; P289-L466 HydrophobicContact CB-CG 3.84Å; P289-L466 HydrophobicContact CG-CD2 3.77Å; P289-L466 HydrophobicContact CG-CG 3.9Å | ||
| 290 | K | 88.9 | Confident | 90.3 | Very high | 206 Ų | 206 | 61 Ų | 61 | 90% | 0.896 | 32% | 0.322 | S | S | * | . | trans | -78.7 | 123.5 | -177.7 | -64.7 | -177.6 | -179.8 | 178.7 | 0 | 110.6 | Y288 | Y288-K290 PolarHBondContact O-N 2.94Š| ||
| 291 | F | 91.7 | Very high | 90.9 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | trans | -144.4 | 167.5 | 169.3 | 67.9 | -78.5 | 0 | 0 | 0 | 110 | P289 I293 T299 P376 N377 L380 L466 I469 I471 | P289-F291 WeakPolarHBondContact O-CD1 3.32Å; P289-F291 PolarHBondContact O-N 3.27Å; F291-I293 HydrophobicContact CD2-CG1 4.16Å; F291-I293 HydrophobicContact CE2-CD1 3.94Å; F291-I293 HydrophobicContact CE2-CG1 3.85Å; F291-T299 HydrophobicContact CE2-CG2 4.38Å; F291-P376 HydrophobicContact CE2-CB 4.26Å; F291-P376 HydrophobicContact CE2-CG 4.24Å; F291-P376 HydrophobicContact CZ-CB 3.83Å; F291-P376 HydrophobicContact CZ-CG 3.96Å; F291-N377 WeakPolarHBondContact CE1-OD1 3.45Å; F291-N377 WeakPolarHBondContact CZ-OD1 3.35Å; F291-L380 HydrophobicContact CD1-CD1 4.22Å; F291-L380 HydrophobicContact CE1-CD1 3.68Å; F291-L380 HydrophobicContact CZ-CD1 4.38Å; F291-L466 HydrophobicContact CB-CD2 3.98Å; F291-L466 HydrophobicContact CD1-CD2 3.76Å; F291-L466 HydrophobicContact CG-CD2 4.06Å; F291-I469 HydrophobicContact CD2-CD1 4.39Å; F291-I469 HydrophobicContact CE2-CD1 4.05Å; F291-I469 HydrophobicContact CZ-CD1 4.17Å; F291-I471 HydrophobicContact CD2-CD1 4.41Å | ||
| 292 | S | 92.7 | Very high | 91.3 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 70% | 0.699 | 29% | 0.29 | S | S | * | . | trans | -133 | 142.4 | 178 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | I471 | S292-I471 WeakPolarHBondContact O-CD1 3.09Š| ||
| 293 | I | 92.6 | Very high | 91.6 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | trans | -109.7 | 117.9 | 177 | -53.8 | 168.4 | 0 | 0 | 0 | 107.1 | F291 C297 T299 P376 | F291-I293 HydrophobicContact CD2-CG1 4.16Å; F291-I293 HydrophobicContact CE2-CD1 3.94Å; F291-I293 HydrophobicContact CE2-CG1 3.85Å; I293-C297 HydrophobicContact CG2-CB 4.02Å; I293-T299 HydrophobicContact CD1-CG2 3.64Å; I293-T299 HydrophobicContact CG1-CG2 4.01Å; I293-P376 HydrophobicContact CD1-CG 3.84Å | ||
| 294 | A | 91.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 51% | 0.512 | 32% | 0.323 | S | S | . | . | trans | -69.8 | 152.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G296 C297 | A294-G296 PolarHBondContact O-N 2.72Å; A294-C297 VanDerWaalsContact O-CB 3.31Å; A294-C297 WeakPolarHBondContact O-CB 3.49Å; A294-C297 PolarHBondContact O-N 3.39Å | ||
| 295 | S | 86.4 | Confident | 92.4 | Very high | 117 Ų | 117 | 50.3 Ų | 50.3 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 132.7 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | C297 | S295-C297 VanDerWaalsContact C-N 3.3Š|
| 296 | G | 87 | Confident | 93.1 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -10 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A294 R475 R486 | A294-G296 PolarHBondContact O-N 2.72Å; G296-R475 PolarHBondContact O-N 3.03Å; G296-R486 PolarHBondContact O-NH2 3.16Å |
| 297 | C | 93.6 | Very high | 93.5 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | trans | -91.2 | 159.6 | 169.5 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | I293 A294 S295 I471 T472 | I293-C297 HydrophobicContact CG2-CB 4.02Å; A294-C297 VanDerWaalsContact O-CB 3.31Å; A294-C297 WeakPolarHBondContact O-CB 3.49Å; A294-C297 PolarHBondContact O-N 3.39Å; S295-C297 VanDerWaalsContact C-N 3.3Å; C297-I471 HydrophobicContact CB-CG2 3.86Å; C297-T472 VanDerWaalsContact CB-O 3.31Å; C297-T472 WeakPolarHBondContact CB-O 3.25Å; C297-T472 PolarHBondContact SG-O 3.12Å | ||
| 298 | S | 94.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | trans | -136.5 | 171.6 | 172.5 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | I471 T472 R486 | S298-I471 WeakPolarHBondContact O-CA 3.48Å; S298-T472 PolarHBondContact N-OG1 3.06Å; S298-T472 PolarHBondContact O-N 2.92Å; S298-T472 PolarHBondContact O-OG1 3.45Å; S298-T472 PolarHBondContact OG-OG1 2.82Å; S298-T472 VanDerWaalsContact OG-OG1 3.05Å; S298-R486 PolarHBondContact OG-NH1 3.27Å | ||
| 299 | T | 97.6 | Very high | 94 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.1 | 177.5 | 36 | 0 | 0 | 0 | 0 | 110.7 | F291 I293 A372 P376 I469 I470 I471 | F291-T299 HydrophobicContact CE2-CG2 4.38Å; I293-T299 HydrophobicContact CD1-CG2 3.64Å; I293-T299 HydrophobicContact CG1-CG2 4.01Å; T299-A372 WeakPolarHBondContact CB-O 3.45Å; T299-A372 PolarHBondContact OG1-O 3.46Å; T299-P376 HydrophobicContact CG2-CB 4.15Å; T299-P376 HydrophobicContact CG2-CG 4.39Å; T299-I469 HydrophobicContact CG2-CD1 4.22Å; T299-I470 WeakPolarHBondContact CA-O 3.44Å; T299-I471 HydrophobicContact CG2-CG1 4.18Å |
| 300 | E | 98 | Very high | 94.3 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 159.6 | 172.8 | -62.4 | -176.4 | -178.1 | 0 | 0 | 109.2 | I469 I470 T472 R486 T487 V488 | E300-I469 CarbonylContact O-C 3.54Å; E300-I469 VanDerWaalsContact O-CA 3.26Å; E300-I469 WeakPolarHBondContact O-CA 3.48Å; E300-I470 HydrophobicContact CB-CD1 4.21Å; E300-I470 HydrophobicContact CB-CG1 3.84Å; E300-I470 PolarHBondContact N-O 3.07Å; E300-I470 PolarHBondContact O-N 2.95Å; E300-T472 HydrophobicContact CG-CG2 3.71Å; E300-R486 VanDerWaalsContact OE1-CA 3.3Å; E300-R486 WeakPolarHBondContact OE1-CA 3.39Å; E300-R486 WeakPolarHBondContact OE1-CB 3.47Å; E300-T487 VanDerWaalsContact CD-N 3.34Å; E300-T487 PolarHBondContact OE1-N 2.68Å; E300-T487 WeakPolarHBondContact OE2-CB 3.41Å; E300-T487 PolarHBondContact OE2-N 3.16Å; E300-T487 PolarHBondContact OE2-OG1 3.11Å; E300-V488 HydrophobicContact CB-CG2 4.44Å; E300-V488 HydrophobicContact CG-CB 4.1Å; E300-V488 HydrophobicContact CG-CG2 3.84Å; E300-V488 PolarHBondContact OE1-N 2.94Å; E300-V488 VanDerWaalsContact OE1-N 3.11Å |
| 301 | I | 98.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 134.8 | 173.4 | -55.6 | -175.5 | 0 | 0 | 0 | 108.8 | G305 I306 L309 W368 M369 A372 L379 F383 | I301-G305 VanDerWaalsContact CG2-C 3.45Å; I301-I306 HydrophobicContact CB-CG1 4.24Å; I301-I306 HydrophobicContact CG2-CG1 3.92Å; I301-L309 HydrophobicContact CD1-CD1 3.61Å; I301-W368 HydrophobicContact CD1-CB 3.7Å; I301-M369 HydrophobicContact CB-SD 3.66Å; I301-M369 HydrophobicContact CD1-CG 4.32Å; I301-M369 HydrophobicContact CD1-SD 3.78Å; I301-M369 HydrophobicContact CG1-SD 3.58Å; I301-M369 VanDerWaalsContact CG1-SD 3.58Å; I301-A372 HydrophobicContact CD1-CB 4.3Å; I301-A372 HydrophobicContact CG1-CB 3.6Å; I301-L379 HydrophobicContact CD1-CD1 4.35Å; I301-L379 HydrophobicContact CG1-CD2 4.16Å; I301-F383 HydrophobicContact CD1-CZ 4.36Å |
| 302 | S | 97.5 | Very high | 94.8 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | trans | -70.1 | 164.3 | 177.7 | 80.4 | 0 | 0 | 0 | 0 | 111.8 | V304 G305 I306 R467 A468 | S302-V304 PolarHBondContact O-N 3.43Å; S302-V304 PolarHBondContact OG-N 3.25Å; S302-G305 CarbonylContact O-C 3.52Å; S302-G305 WeakPolarHBondContact O-CA 3.41Å; S302-G305 PolarHBondContact O-N 3.46Å; S302-G305 PolarHBondContact OG-N 2.92Å; S302-I306 WeakPolarHBondContact O-CG1 3.23Å; S302-I306 PolarHBondContact O-N 3.09Å; S302-R467 WeakPolarHBondContact CB-O 3.2Å; S302-R467 PolarHBondContact OG-O 3.4Å; S302-A468 PolarHBondContact N-O 3.38Å; S302-A468 PolarHBondContact OG-O 3.42Å | ||
| 303 | P | 95.7 | Very high | 95 | Very high | 89 Ų | 89 | 33.7 Ų | 33.7 | 58% | 0.578 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -54.4 | -38 | 172.6 | -27.8 | 36.1 | 0 | 0 | 0 | 113.5 | I306 Q307 | P303-I306 PolarHBondContact O-N 2.92Å; P303-Q307 VanDerWaalsContact O-CG 3.3Å; P303-Q307 WeakPolarHBondContact O-CG 3.41Å; P303-Q307 PolarHBondContact O-N 3.34Å |
| 304 | V | 95.3 | Very high | 95.1 | Very high | 52 Ų | 52 | 33.1 Ų | 33.1 | 32% | 0.315 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69 | -39.7 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | S302 I306 Q307 F308 F388 Y391 E392 | S302-V304 PolarHBondContact O-N 3.43Å; S302-V304 PolarHBondContact OG-N 3.25Å; V304-I306 VanDerWaalsContact C-N 3.35Å; V304-I306 PolarHBondContact O-N 3.48Å; V304-Q307 PolarHBondContact O-N 2.95Å; V304-F308 PolarHBondContact O-N 2.9Å; V304-F388 HydrophobicContact CG1-CE2 4.16Å; V304-F388 HydrophobicContact CG1-CZ 4.03Å; V304-Y391 HydrophobicContact CG1-CD1 4.41Å; V304-Y391 HydrophobicContact CG1-CE1 4.13Å; V304-E392 HydrophobicContact CG1-CG 4.27Å |
| 305 | G | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I301 S302 F308 L309 | I301-G305 VanDerWaalsContact CG2-C 3.45Å; S302-G305 CarbonylContact O-C 3.52Å; S302-G305 WeakPolarHBondContact O-CA 3.41Å; S302-G305 PolarHBondContact O-N 3.46Å; S302-G305 PolarHBondContact OG-N 2.92Å; G305-F308 WeakPolarHBondContact O-CB 3.3Å; G305-F308 PolarHBondContact O-N 3.03Å; G305-L309 WeakPolarHBondContact O-CG 3.31Å; G305-L309 PolarHBondContact O-N 2.93Å |
| 306 | I | 96.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 25.8 Ų | 25.8 | 32% | 0.323 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.5 | -41.1 | 175.8 | -67.3 | 168.2 | 0 | 0 | 0 | 111 | I301 S302 P303 V304 L309 N310 | I301-I306 HydrophobicContact CB-CG1 4.24Å; I301-I306 HydrophobicContact CG2-CG1 3.92Å; S302-I306 WeakPolarHBondContact O-CG1 3.23Å; S302-I306 PolarHBondContact O-N 3.09Å; P303-I306 PolarHBondContact O-N 2.92Å; V304-I306 VanDerWaalsContact C-N 3.35Å; V304-I306 PolarHBondContact O-N 3.48Å; I306-L309 PolarHBondContact O-N 3.35Å; I306-N310 PolarHBondContact O-N 2.82Å; I306-N310 PolarHBondContact O-ND2 2.88Å |
| 307 | Q | 96 | Very high | 96.1 | Very high | 108 Ų | 108 | 24.8 Ų | 24.8 | 51% | 0.505 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 175 | -69.9 | 172.3 | 5.2 | 0 | 0 | 111.2 | P303 V304 L309 N310 A311 Y391 | P303-Q307 VanDerWaalsContact O-CG 3.3Å; P303-Q307 WeakPolarHBondContact O-CG 3.41Å; P303-Q307 PolarHBondContact O-N 3.34Å; V304-Q307 PolarHBondContact O-N 2.95Å; Q307-L309 PolarHBondContact O-N 3.09Å; Q307-N310 PolarHBondContact O-N 3.12Å; Q307-A311 WeakPolarHBondContact O-CB 3.33Å; Q307-A311 PolarHBondContact O-N 3.46Å; Q307-Y391 HydrophobicContact CB-CE1 4.46Å; Q307-Y391 VanDerWaalsContact CB-OH 3.29Å; Q307-Y391 WeakPolarHBondContact CB-OH 3.22Å |
| 308 | F | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.7 | -48.5 | 174.5 | 170.1 | -111.9 | 0 | 0 | 0 | 112 | V304 G305 N310 A311 L312 F383 L386 F388 Y391 W397 | V304-F308 PolarHBondContact O-N 2.9Å; G305-F308 WeakPolarHBondContact O-CB 3.3Å; G305-F308 PolarHBondContact O-N 3.03Å; F308-N310 VanDerWaalsContact C-N 3.35Å; F308-N310 PolarHBondContact O-N 3.45Å; F308-A311 PolarHBondContact O-N 2.76Å; F308-L312 HydrophobicContact CE1-CD2 4.31Å; F308-L312 HydrophobicContact CZ-CD2 4.29Å; F308-L312 VanDerWaalsContact O-CB 3.27Å; F308-L312 WeakPolarHBondContact O-CB 3.39Å; F308-L312 PolarHBondContact O-N 3.38Å; F308-F383 HydrophobicContact CD1-CD2 4.07Å; F308-F383 AromaticContact CD1-CE2 3.97Å; F308-F383 HydrophobicContact CD1-CE2 3.97Å; F308-F383 HydrophobicContact CD1-CZ 4.31Å; F308-F383 HydrophobicContact CE1-CD1 4.41Å; F308-F383 HydrophobicContact CE1-CD2 4.19Å; F308-F383 HydrophobicContact CE1-CE2 4.41Å; F308-F383 HydrophobicContact CE1-CG 4.2Å; F308-L386 HydrophobicContact CE1-CB 4.28Å; F308-L386 HydrophobicContact CZ-CB 3.77Å; F308-F388 HydrophobicContact CB-CD2 3.72Å; F308-F388 HydrophobicContact CB-CE2 3.88Å; F308-F388 HydrophobicContact CD1-CB 4.33Å; F308-F388 AromaticContact CD1-CD2 3.6Å; F308-F388 HydrophobicContact CD1-CD2 3.6Å; F308-F388 HydrophobicContact CD1-CE2 4.45Å; F308-F388 HydrophobicContact CD1-CG 4.44Å; F308-F388 HydrophobicContact CD2-CD2 4.14Å; F308-F388 HydrophobicContact CE1-CB 4.07Å; F308-F388 HydrophobicContact CE1-CD2 4.2Å; F308-F388 HydrophobicContact CE2-CB 4.43Å; F308-F388 AromaticContact CG-CD2 3.55Å; F308-F388 HydrophobicContact CG-CD2 3.55Å; F308-F388 HydrophobicContact CG-CE2 4.23Å; F308-F388 HydrophobicContact CZ-CB 4.11Å; F308-Y391 HydrophobicContact CB-CD1 3.76Å; F308-Y391 HydrophobicContact CB-CD2 4.43Å; F308-Y391 HydrophobicContact CB-CE1 3.84Å; F308-Y391 HydrophobicContact CB-CG 4.11Å; F308-Y391 HydrophobicContact CD2-CD1 4.09Å; F308-Y391 AromaticContact CD2-CD2 3.78Å; F308-Y391 HydrophobicContact CD2-CD2 3.78Å; F308-Y391 AromaticContact CD2-CG 3.57Å; F308-Y391 HydrophobicContact CD2-CG 3.57Å; F308-Y391 HydrophobicContact CE2-CG 4.47Å; F308-Y391 HydrophobicContact CG-CD1 4.35Å; F308-Y391 HydrophobicContact CG-CG 4.28Å; F308-W397 HydrophobicContact CD2-CH2 4.21Å; F308-W397 HydrophobicContact CD2-CZ2 4.41Å; F308-W397 AromaticContact CE2-CH2 3.99Å; F308-W397 HydrophobicContact CE2-CH2 3.99Å; F308-W397 HydrophobicContact CE2-CZ2 4.14Å |
| 309 | L | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 178.3 | -72.8 | -179.7 | 0 | 0 | 0 | 112.7 | I301 G305 I306 Q307 A311 L312 F313 F364 M365 W368 F383 | I301-L309 HydrophobicContact CD1-CD1 3.61Å; G305-L309 WeakPolarHBondContact O-CG 3.31Å; G305-L309 PolarHBondContact O-N 2.93Å; I306-L309 PolarHBondContact O-N 3.35Å; Q307-L309 PolarHBondContact O-N 3.09Å; L309-A311 VanDerWaalsContact C-N 3.34Å; L309-L312 PolarHBondContact O-N 3.25Å; L309-F313 WeakPolarHBondContact O-CB 3.48Å; L309-F313 PolarHBondContact O-N 2.87Å; L309-F364 HydrophobicContact CB-CE1 4.21Å; L309-F364 HydrophobicContact CD2-CE1 4.03Å; L309-F364 HydrophobicContact CD2-CZ 4.29Å; L309-M365 HydrophobicContact CB-CE 4.11Å; L309-M365 HydrophobicContact CB-SD 3.71Å; L309-M365 HydrophobicContact CD1-SD 4.29Å; L309-W368 HydrophobicContact CD1-CB 3.53Å; L309-W368 HydrophobicContact CD1-CG 3.83Å; L309-W368 HydrophobicContact CD2-CB 4.41Å; L309-W368 HydrophobicContact CD2-CD2 4.29Å; L309-W368 HydrophobicContact CD2-CG 3.84Å; L309-F383 HydrophobicContact CD1-CZ 4.05Å; L309-F383 HydrophobicContact CD2-CE1 3.84Å; L309-F383 HydrophobicContact CD2-CZ 3.74Å; L309-F383 HydrophobicContact CG-CE1 4.43Å; L309-F383 HydrophobicContact CG-CZ 3.83Å |
| 310 | N | 95.7 | Very high | 95.9 | Very high | 47 Ų | 47 | 43.4 Ų | 43.4 | 25% | 0.251 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.9 | -84.4 | -66.5 | 0 | 0 | 0 | 111.9 | I306 Q307 F308 L312 F313 N314 M365 | I306-N310 PolarHBondContact O-N 2.82Å; I306-N310 PolarHBondContact O-ND2 2.88Å; Q307-N310 PolarHBondContact O-N 3.12Å; F308-N310 VanDerWaalsContact C-N 3.35Å; F308-N310 PolarHBondContact O-N 3.45Å; N310-L312 VanDerWaalsContact C-N 3.34Å; N310-F313 PolarHBondContact O-N 3.07Å; N310-N314 WeakPolarHBondContact O-CB 2.93Å; N310-N314 VanDerWaalsContact O-CG 3.23Å; N310-N314 PolarHBondContact O-N 2.78Å; N310-N314 PolarHBondContact O-OD1 3.3Å; N310-M365 HydrophobicContact CB-CE 4.37Å; N310-M365 WeakPolarHBondContact OD1-CE 3.33Å |
| 311 | A | 94.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q307 F308 L309 N314 K315 Y391 W397 | Q307-A311 WeakPolarHBondContact O-CB 3.33Å; Q307-A311 PolarHBondContact O-N 3.46Å; F308-A311 PolarHBondContact O-N 2.76Å; L309-A311 VanDerWaalsContact C-N 3.34Å; A311-N314 PolarHBondContact O-N 2.69Å; A311-K315 WeakPolarHBondContact O-CB 3.07Å; A311-K315 PolarHBondContact O-N 3.23Å; A311-Y391 HydrophobicContact CB-CE2 4.06Å; A311-W397 HydrophobicContact CB-CD2 4.43Å; A311-W397 HydrophobicContact CB-CE3 3.33Å; A311-W397 HydrophobicContact CB-CZ3 3.45Å; A311-W397 VanDerWaalsContact CB-CZ3 3.45Å |
| 312 | L | 95.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 175.5 | -173.8 | 68.4 | 0 | 0 | 0 | 111.8 | F308 L309 N310 K315 Y316 L332 F364 L386 | F308-L312 HydrophobicContact CE1-CD2 4.31Å; F308-L312 HydrophobicContact CZ-CD2 4.29Å; F308-L312 VanDerWaalsContact O-CB 3.27Å; F308-L312 WeakPolarHBondContact O-CB 3.39Å; F308-L312 PolarHBondContact O-N 3.38Å; L309-L312 PolarHBondContact O-N 3.25Å; N310-L312 VanDerWaalsContact C-N 3.34Å; L312-K315 WeakPolarHBondContact O-CB 3.48Å; L312-K315 PolarHBondContact O-N 2.91Å; L312-Y316 HydrophobicContact CD1-CD2 4.06Å; L312-Y316 HydrophobicContact CD1-CE2 3.7Å; L312-Y316 WeakPolarHBondContact O-CD2 3.45Å; L312-Y316 PolarHBondContact O-N 3.43Å; L312-L332 HydrophobicContact CD1-CG 4.44Å; L312-L332 HydrophobicContact CD2-CD1 4.34Å; L312-L332 HydrophobicContact CD2-CD2 4.21Å; L312-L332 HydrophobicContact CD2-CG 4.36Å; L312-L332 HydrophobicContact CG-CD1 4.03Å; L312-L332 HydrophobicContact CG-CG 4.22Å; L312-F364 HydrophobicContact CD2-CZ 4.25Å; L312-L386 HydrophobicContact CD2-CB 4.29Å; L312-L386 HydrophobicContact CD2-CD1 3.82Å; L312-L386 HydrophobicContact CD2-CD2 4.18Å; L312-L386 HydrophobicContact CD2-CG 4.32Å |
| 313 | F | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 174.9 | -174.2 | -80.3 | 0 | 0 | 0 | 110.8 | L309 N310 K315 Y316 D317 G322 L324 R361 F364 M365 | L309-F313 WeakPolarHBondContact O-CB 3.48Å; L309-F313 PolarHBondContact O-N 2.87Å; N310-F313 PolarHBondContact O-N 3.07Å; F313-K315 PolarHBondContact O-N 3.26Å; F313-Y316 PolarHBondContact O-N 3.07Å; F313-Y316 VanDerWaalsContact O-N 3.14Å; F313-D317 HydrophobicContact CD1-CB 4.02Å; F313-D317 HydrophobicContact CE1-CB 3.74Å; F313-D317 WeakPolarHBondContact CE1-OD2 3.43Å; F313-D317 HydrophobicContact CZ-CB 4.5Å; F313-D317 WeakPolarHBondContact O-CB 3.23Å; F313-D317 PolarHBondContact O-N 2.71Å; F313-G322 WeakPolarHBondContact CZ-O 3.11Å; F313-L324 HydrophobicContact CD2-CD1 3.74Å; F313-L324 HydrophobicContact CD2-CD2 4.36Å; F313-L324 HydrophobicContact CD2-CG 3.9Å; F313-L324 HydrophobicContact CE2-CD1 3.77Å; F313-L324 HydrophobicContact CE2-CD2 4.2Å; F313-L324 HydrophobicContact CE2-CG 3.5Å; F313-L324 HydrophobicContact CZ-CD2 4.45Å; F313-L324 HydrophobicContact CZ-CG 4.04Å; F313-R361 HydrophobicContact CD1-CB 4.36Å; F313-R361 HydrophobicContact CD1-CG 4.27Å; F313-R361 HydrophobicContact CD2-CB 4.47Å; F313-R361 HydrophobicContact CE1-CB 3.87Å; F313-R361 HydrophobicContact CE1-CG 4.26Å; F313-R361 HydrophobicContact CE2-CB 3.98Å; F313-R361 HydrophobicContact CG-CG 4.41Å; F313-R361 HydrophobicContact CZ-CB 3.67Å; F313-R361 HydrophobicContact CZ-CG 4.4Å; F313-F364 HydrophobicContact CB-CD1 4.14Å; F313-F364 HydrophobicContact CB-CE1 4.07Å; F313-F364 HydrophobicContact CD2-CB 3.76Å; F313-F364 AromaticContact CD2-CD1 3.7Å; F313-F364 HydrophobicContact CD2-CD1 3.7Å; F313-F364 HydrophobicContact CD2-CD2 4.3Å; F313-F364 HydrophobicContact CD2-CE1 4.31Å; F313-F364 AromaticContact CD2-CG 3.67Å; F313-F364 HydrophobicContact CD2-CG 3.67Å; F313-F364 HydrophobicContact CE2-CB 3.94Å; F313-F364 HydrophobicContact CE2-CG 4.29Å; F313-F364 HydrophobicContact CG-CD1 4.38Å; F313-M365 HydrophobicContact CB-CE 4.19Å |
| 314 | N | 95.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 32% | 0.316 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -32 | 180 | -71.6 | -6.3 | 0 | 0 | 0 | 113.4 | N310 A311 Y316 R361 I400 | N310-N314 WeakPolarHBondContact O-CB 2.93Å; N310-N314 VanDerWaalsContact O-CG 3.23Å; N310-N314 PolarHBondContact O-N 2.78Å; N310-N314 PolarHBondContact O-OD1 3.3Å; A311-N314 PolarHBondContact O-N 2.69Å; N314-Y316 VanDerWaalsContact C-N 3.26Å; N314-Y316 PolarHBondContact O-N 2.81Å; N314-R361 PolarHBondContact OD1-NH1 3.24Å; N314-R361 PolarHBondContact OD1-NH2 2.87Å; N314-I400 WeakPolarHBondContact ND2-CD1 3.36Å |
| 315 | K | 94.7 | Very high | 95.5 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 8% | 0.078 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.5 | -32.5 | 178.7 | -178.7 | 177.3 | 166.8 | 169.1 | 0 | 112.2 | R194 D197 N200 A311 L312 F313 W397 | R194-K315 PolarHBondContact O-NZ 3.2Å; D197-K315 WeakPolarHBondContact O-CE 3.48Å; D197-K315 PolarHBondContact O-NZ 3.25Å; N200-K315 HydrophobicContact CB-CD 4.35Å; N200-K315 HydrophobicContact CB-CG 3.59Å; N200-K315 PolarHBondContact ND2-O 2.93Å; A311-K315 WeakPolarHBondContact O-CB 3.07Å; A311-K315 PolarHBondContact O-N 3.23Å; L312-K315 WeakPolarHBondContact O-CB 3.48Å; L312-K315 PolarHBondContact O-N 2.91Å; F313-K315 PolarHBondContact O-N 3.26Å; K315-W397 HydrophobicContact CD-CH2 4.47Å |
| 316 | Y | 95.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -110.8 | -12 | -175 | -69.7 | -80.4 | 0 | 0 | 0 | 114.5 | L312 F313 N314 L318 E328 E331 L332 | L312-Y316 HydrophobicContact CD1-CD2 4.06Å; L312-Y316 HydrophobicContact CD1-CE2 3.7Å; L312-Y316 WeakPolarHBondContact O-CD2 3.45Å; L312-Y316 PolarHBondContact O-N 3.43Å; F313-Y316 PolarHBondContact O-N 3.07Å; F313-Y316 VanDerWaalsContact O-N 3.14Å; N314-Y316 VanDerWaalsContact C-N 3.26Å; N314-Y316 PolarHBondContact O-N 2.81Å; Y316-L318 VanDerWaalsContact C-N 3.28Å; Y316-L318 PolarHBondContact O-N 3.05Å; Y316-E328 WeakPolarHBondContact O-CB 3.38Å; Y316-E328 WeakPolarHBondContact O-CG 3.43Å; Y316-E331 HydrophobicContact CD1-CB 4.11Å; Y316-E331 HydrophobicContact CE1-CB 4.14Å; Y316-E331 WeakPolarHBondContact CE1-O 3.38Å; Y316-L332 HydrophobicContact CD1-CB 4.08Å; Y316-L332 HydrophobicContact CD2-CB 3.71Å; Y316-L332 HydrophobicContact CD2-CD1 3.83Å; Y316-L332 HydrophobicContact CD2-CG 3.66Å; Y316-L332 HydrophobicContact CE1-CB 4.42Å; Y316-L332 HydrophobicContact CE2-CB 4.06Å; Y316-L332 HydrophobicContact CE2-CG 3.99Å; Y316-L332 HydrophobicContact CG-CB 3.71Å; Y316-L332 HydrophobicContact CG-CD1 4.25Å; Y316-L332 HydrophobicContact CG-CG 4.16Å |
| 317 | D | 95.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | trans | -75.5 | 78 | 167.3 | 178.2 | 13.4 | 0 | 0 | 0 | 109.3 | F313 R320 D321 G322 L324 R361 | F313-D317 HydrophobicContact CD1-CB 4.02Å; F313-D317 HydrophobicContact CE1-CB 3.74Å; F313-D317 WeakPolarHBondContact CE1-OD2 3.43Å; F313-D317 HydrophobicContact CZ-CB 4.5Å; F313-D317 WeakPolarHBondContact O-CB 3.23Å; F313-D317 PolarHBondContact O-N 2.71Å; D317-R320 PolarHBondContact O-N 3.08Å; D317-R320 WeakPolarHBondContact OD1-CA 3.4Å; D317-R320 PolarHBondContact OD1-N 2.9Å; D317-D321 PolarHBondContact OD1-N 3.08Å; D317-D321 VanDerWaalsContact OD1-N 3.12Å; D317-G322 WeakPolarHBondContact OD2-CA 3.48Å; D317-G322 PolarHBondContact OD2-N 3.11Å; D317-L324 HydrophobicContact CB-CD2 4.35Å; D317-R361 IonicContact OD2-NH2 3.32Å | ||
| 318 | L | 93.4 | Very high | 95.2 | Very high | 119 Ų | 119 | 42.4 Ų | 42.4 | 62% | 0.623 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -73.4 | -37.4 | -168.1 | -66 | 179.5 | 0 | 0 | 0 | 111.7 | Y316 R320 E328 | Y316-L318 VanDerWaalsContact C-N 3.28Å; Y316-L318 PolarHBondContact O-N 3.05Å; L318-R320 VanDerWaalsContact C-N 3.33Å; L318-E328 PolarHBondContact N-OE1 3.1Å |
| 319 | D | 93.5 | Very high | 95 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -85.9 | -7.3 | 178 | 71.3 | 4.5 | 0 | 0 | 0 | 113.3 | D321 | D319-D321 PolarHBondContact O-N 3.33Å; D319-D321 WeakPolarHBondContact OD1-CB 3.06Å; D319-D321 PolarHBondContact OD1-N 3.12Å; D319-D321 VanDerWaalsContact OD1-N 3.09Å |
| 320 | R | 94 | Very high | 94.8 | Very high | 218 Ų | 218 | 46.4 Ų | 46.4 | 82% | 0.823 | 25% | 0.254 | S | S | * | . | trans | 60.4 | 33.2 | 177.7 | -56.2 | -178.2 | 178.3 | -176.9 | -0.4 | 112.5 | D317 L318 | D317-R320 PolarHBondContact O-N 3.08Å; D317-R320 WeakPolarHBondContact OD1-CA 3.4Å; D317-R320 PolarHBondContact OD1-N 2.9Å; L318-R320 VanDerWaalsContact C-N 3.33Å | ||
| 321 | D | 95.4 | Very high | 94.7 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -79.7 | -8.3 | 176.6 | 87.7 | -13.3 | 0 | 0 | 0 | 112.7 | D317 D319 C323 | D317-D321 PolarHBondContact OD1-N 3.08Å; D317-D321 VanDerWaalsContact OD1-N 3.12Å; D319-D321 PolarHBondContact O-N 3.33Å; D319-D321 WeakPolarHBondContact OD1-CB 3.06Å; D319-D321 PolarHBondContact OD1-N 3.12Å; D319-D321 VanDerWaalsContact OD1-N 3.09Å; D321-C323 VanDerWaalsContact C-N 3.32Å; D321-C323 VanDerWaalsContact OD1-CA 3.28Å; D321-C323 WeakPolarHBondContact OD1-CA 3.44Å; D321-C323 VanDerWaalsContact OD1-CB 3.23Å; D321-C323 WeakPolarHBondContact OD1-CB 3.41Å; D321-C323 PolarHBondContact OD1-N 3.17Å |
| 322 | G | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 48 Ų | 48 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 79.9 | 13.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F313 D317 R361 | F313-G322 WeakPolarHBondContact CZ-O 3.11Å; D317-G322 WeakPolarHBondContact OD2-CA 3.48Å; D317-G322 PolarHBondContact OD2-N 3.11Å; G322-R361 PolarHBondContact O-N 3.2Å |
| 323 | C | 96.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 165.7 | 173.6 | -54.7 | 0 | 0 | 0 | 0 | 109.8 | D321 W358 V359 | D321-C323 VanDerWaalsContact C-N 3.32Å; D321-C323 VanDerWaalsContact OD1-CA 3.28Å; D321-C323 WeakPolarHBondContact OD1-CA 3.44Å; D321-C323 VanDerWaalsContact OD1-CB 3.23Å; D321-C323 WeakPolarHBondContact OD1-CB 3.41Å; D321-C323 PolarHBondContact OD1-N 3.17Å; C323-W358 HydrophobicContact CB-CB 4.07Å; C323-V359 CarbonylContact C-O 3.38Å; C323-V359 WeakPolarHBondContact CA-O 3.3Å |
| 324 | L | 95.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 110.1 | 167.6 | -65.9 | 171.2 | 0 | 0 | 0 | 107.8 | F313 D317 E328 L329 L332 W358 V359 F364 | F313-L324 HydrophobicContact CD2-CD1 3.74Å; F313-L324 HydrophobicContact CD2-CD2 4.36Å; F313-L324 HydrophobicContact CD2-CG 3.9Å; F313-L324 HydrophobicContact CE2-CD1 3.77Å; F313-L324 HydrophobicContact CE2-CD2 4.2Å; F313-L324 HydrophobicContact CE2-CG 3.5Å; F313-L324 HydrophobicContact CZ-CD2 4.45Å; F313-L324 HydrophobicContact CZ-CG 4.04Å; D317-L324 HydrophobicContact CB-CD2 4.35Å; L324-E328 HydrophobicContact CD2-CB 4.13Å; L324-L329 HydrophobicContact CB-CB 4.33Å; L324-L329 HydrophobicContact CD1-CD1 4.29Å; L324-L332 HydrophobicContact CD1-CD1 4.03Å; L324-W358 WeakPolarHBondContact O-CB 3.12Å; L324-V359 PolarHBondContact N-O 3.28Å; L324-V359 PolarHBondContact O-N 2.99Å; L324-F364 HydrophobicContact CD1-CD2 3.66Å; L324-F364 HydrophobicContact CD1-CE2 3.93Å; L324-F364 HydrophobicContact CD1-CG 4.31Å |
| 325 | S | 94.2 | Very high | 94.1 | Very high | 19 Ų | 19 | 48 Ų | 48 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | trans | -59.7 | 164.7 | 168.2 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | A327 E328 L329 | S325-A327 PolarHBondContact O-N 3.46Å; S325-E328 VanDerWaalsContact CB-OE2 3.23Å; S325-E328 WeakPolarHBondContact CB-OE2 3.34Å; S325-E328 PolarHBondContact N-OE2 3.12Å; S325-E328 PolarHBondContact O-N 2.77Å; S325-E328 VanDerWaalsContact OG-CD 3.31Å; S325-E328 VanDerWaalsContact OG-CG 3.3Å; S325-E328 WeakPolarHBondContact OG-CG 3.38Å; S325-E328 PolarHBondContact OG-N 2.79Å; S325-E328 PolarHBondContact OG-OE2 3.14Å; S325-L329 WeakPolarHBondContact O-CB 3.49Å; S325-L329 PolarHBondContact O-N 3.32Å | ||
| 326 | T | 92.3 | Very high | 93.9 | Very high | 110 Ų | 110 | 47.2 Ų | 47.2 | 68% | 0.675 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.7 | -36.1 | 177.9 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | S330 | T326-S330 WeakPolarHBondContact O-CB 3.41Å; T326-S330 PolarHBondContact O-N 2.68Å |
| 327 | A | 93.6 | Very high | 93.5 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 52% | 0.521 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.5 | -47.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S325 L329 S330 E331 | S325-A327 PolarHBondContact O-N 3.46Å; A327-L329 PolarHBondContact O-N 2.67Å; A327-S330 WeakPolarHBondContact O-CB 3.38Å; A327-S330 PolarHBondContact O-N 2.82Å; A327-S330 VanDerWaalsContact O-N 3.16Å; A327-S330 PolarHBondContact O-OG 3.07Å; A327-E331 PolarHBondContact O-N 2.71Å |
| 328 | E | 95.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 179 | -69.5 | 164.8 | 138.9 | 0 | 0 | 112.1 | Y316 L318 L324 S325 S330 E331 L332 | Y316-E328 WeakPolarHBondContact O-CB 3.38Å; Y316-E328 WeakPolarHBondContact O-CG 3.43Å; L318-E328 PolarHBondContact N-OE1 3.1Å; L324-E328 HydrophobicContact CD2-CB 4.13Å; S325-E328 VanDerWaalsContact CB-OE2 3.23Å; S325-E328 WeakPolarHBondContact CB-OE2 3.34Å; S325-E328 PolarHBondContact N-OE2 3.12Å; S325-E328 PolarHBondContact O-N 2.77Å; S325-E328 VanDerWaalsContact OG-CD 3.31Å; S325-E328 VanDerWaalsContact OG-CG 3.3Å; S325-E328 WeakPolarHBondContact OG-CG 3.38Å; S325-E328 PolarHBondContact OG-N 2.79Å; S325-E328 PolarHBondContact OG-OE2 3.14Å; E328-S330 VanDerWaalsContact C-N 3.29Å; E328-S330 PolarHBondContact O-N 3.23Å; E328-E331 PolarHBondContact O-N 2.69Å; E328-L332 WeakPolarHBondContact O-CB 3.27Å; E328-L332 PolarHBondContact O-N 2.93Å |
| 329 | L | 94 | Very high | 92.2 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.12 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 174.5 | -176.5 | 61.2 | 0 | 0 | 0 | 111.4 | L324 S325 A327 L332 L333 | L324-L329 HydrophobicContact CB-CB 4.33Å; L324-L329 HydrophobicContact CD1-CD1 4.29Å; S325-L329 WeakPolarHBondContact O-CB 3.49Å; S325-L329 PolarHBondContact O-N 3.32Å; A327-L329 PolarHBondContact O-N 2.67Å; L329-L332 PolarHBondContact O-N 3.36Å; L329-L333 HydrophobicContact CD1-CD1 3.99Å; L329-L333 HydrophobicContact CD1-CG 4.28Å; L329-L333 HydrophobicContact CG-CD1 4.02Å; L329-L333 VanDerWaalsContact O-CG 3.3Å; L329-L333 WeakPolarHBondContact O-CG 3.5Å; L329-L333 PolarHBondContact O-N 2.79Å; L329-L333 VanDerWaalsContact O-N 3.11Å |
| 330 | S | 92.8 | Very high | 91.5 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 176.1 | 80.1 | 0 | 0 | 0 | 0 | 112.2 | T326 A327 E328 L333 A334 | T326-S330 WeakPolarHBondContact O-CB 3.41Å; T326-S330 PolarHBondContact O-N 2.68Å; A327-S330 WeakPolarHBondContact O-CB 3.38Å; A327-S330 PolarHBondContact O-N 2.82Å; A327-S330 VanDerWaalsContact O-N 3.16Å; A327-S330 PolarHBondContact O-OG 3.07Å; E328-S330 VanDerWaalsContact C-N 3.29Å; E328-S330 PolarHBondContact O-N 3.23Å; S330-L333 PolarHBondContact O-N 2.88Å; S330-A334 PolarHBondContact O-N 2.91Å |
| 331 | E | 93.7 | Very high | 91.1 | Very high | 89 Ų | 89 | 43.5 Ų | 43.5 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.2 | -35.9 | 178 | -75.5 | -59.5 | 152.8 | 0 | 0 | 112.5 | R194 Y316 A327 E328 L333 A334 | R194-E331 IonicContact CZ-OE2 3.31Å; R194-E331 VanDerWaalsContact CZ-OE2 3.25Å; R194-E331 PolarHBondContact NH1-O 3.45Å; R194-E331 VanDerWaalsContact NH1-O 3.12Å; R194-E331 IonicContact NH1-OE2 3.48Å; R194-E331 PolarHBondContact NH1-OE2 3.05Å; R194-E331 IonicContact NH2-OE2 3.37Å; R194-E331 PolarHBondContact NH2-OE2 3.3Å; Y316-E331 HydrophobicContact CD1-CB 4.11Å; Y316-E331 HydrophobicContact CE1-CB 4.14Å; Y316-E331 WeakPolarHBondContact CE1-O 3.38Å; A327-E331 PolarHBondContact O-N 2.71Å; E328-E331 PolarHBondContact O-N 2.69Å; E331-L333 VanDerWaalsContact C-N 3.3Å; E331-L333 PolarHBondContact O-N 2.87Å; E331-A334 PolarHBondContact O-N 2.77Å |
| 332 | L | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 172.5 | -175.5 | 157.1 | 0 | 0 | 0 | 111.4 | L312 Y316 L324 E328 L329 F364 L386 | L312-L332 HydrophobicContact CD1-CG 4.44Å; L312-L332 HydrophobicContact CD2-CD1 4.34Å; L312-L332 HydrophobicContact CD2-CD2 4.21Å; L312-L332 HydrophobicContact CD2-CG 4.36Å; L312-L332 HydrophobicContact CG-CD1 4.03Å; L312-L332 HydrophobicContact CG-CG 4.22Å; Y316-L332 HydrophobicContact CD1-CB 4.08Å; Y316-L332 HydrophobicContact CD2-CB 3.71Å; Y316-L332 HydrophobicContact CD2-CD1 3.83Å; Y316-L332 HydrophobicContact CD2-CG 3.66Å; Y316-L332 HydrophobicContact CE1-CB 4.42Å; Y316-L332 HydrophobicContact CE2-CB 4.06Å; Y316-L332 HydrophobicContact CE2-CG 3.99Å; Y316-L332 HydrophobicContact CG-CB 3.71Å; Y316-L332 HydrophobicContact CG-CD1 4.25Å; Y316-L332 HydrophobicContact CG-CG 4.16Å; L324-L332 HydrophobicContact CD1-CD1 4.03Å; E328-L332 WeakPolarHBondContact O-CB 3.27Å; E328-L332 PolarHBondContact O-N 2.93Å; L329-L332 PolarHBondContact O-N 3.36Å; L332-F364 HydrophobicContact CD1-CE2 3.9Å; L332-F364 HydrophobicContact CD1-CZ 4.01Å; L332-L386 HydrophobicContact CD2-CD2 3.94Å; L332-L386 WeakPolarHBondContact O-CD2 3.23Å |
| 333 | L | 94 | Very high | 89.3 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -87.4 | -6.6 | -175.5 | -64.3 | 174.7 | 0 | 0 | 0 | 114.3 | L329 S330 E331 T335 C336 L341 V344 | L329-L333 HydrophobicContact CD1-CD1 3.99Å; L329-L333 HydrophobicContact CD1-CG 4.28Å; L329-L333 HydrophobicContact CG-CD1 4.02Å; L329-L333 VanDerWaalsContact O-CG 3.3Å; L329-L333 WeakPolarHBondContact O-CG 3.5Å; L329-L333 PolarHBondContact O-N 2.79Å; L329-L333 VanDerWaalsContact O-N 3.11Å; S330-L333 PolarHBondContact O-N 2.88Å; E331-L333 VanDerWaalsContact C-N 3.3Å; E331-L333 PolarHBondContact O-N 2.87Å; L333-T335 PolarHBondContact O-N 2.94Å; L333-T335 VanDerWaalsContact O-N 3.08Å; L333-C336 VanDerWaalsContact O-CB 3.31Å; L333-C336 WeakPolarHBondContact O-CB 3.43Å; L333-C336 PolarHBondContact O-N 3.26Å; L333-L341 HydrophobicContact CB-CD2 3.88Å; L333-L341 HydrophobicContact CD1-CD2 4.32Å; L333-L341 HydrophobicContact CD2-CD2 4.47Å; L333-L341 HydrophobicContact CG-CD2 4.45Å; L333-V344 HydrophobicContact CD1-CB 4.16Å; L333-V344 HydrophobicContact CD1-CG1 3.7Å; L333-V344 HydrophobicContact CD2-CB 4.45Å; L333-V344 HydrophobicContact CD2-CG1 3.79Å; L333-V344 HydrophobicContact CG-CG1 4.39Å |
| 334 | A | 92 | Very high | 88.7 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S330 E331 C336 | S330-A334 PolarHBondContact O-N 2.91Å; E331-A334 PolarHBondContact O-N 2.77Å; A334-C336 VanDerWaalsContact C-N 3.3Å |
| 335 | T | 89.8 | Confident | 88 | Confident | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.5 | 170.5 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | R191 R194 L333 Y385 | R191-T335 HydrophobicContact CB-CG2 4.41Å; R191-T335 HydrophobicContact CG-CG2 4.1Å; R194-T335 HydrophobicContact CB-CG2 3.98Å; L333-T335 PolarHBondContact O-N 2.94Å; L333-T335 VanDerWaalsContact O-N 3.08Å; T335-Y385 WeakPolarHBondContact O-CD1 3.12Å |
| 336 | C | 91 | Very high | 87.7 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -89.5 | 157.9 | -178.3 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | R187 L333 A334 L341 | R187-C336 PolarHBondContact NH2-O 3.38Å; R187-C336 VanDerWaalsContact NH2-O 3.08Å; L333-C336 VanDerWaalsContact O-CB 3.31Å; L333-C336 WeakPolarHBondContact O-CB 3.43Å; L333-C336 PolarHBondContact O-N 3.26Å; A334-C336 VanDerWaalsContact C-N 3.3Å; C336-L341 HydrophobicContact CB-CD2 3.78Å |
| 337 | P | 86.1 | Confident | 87.7 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | trans | -64.1 | 137.3 | 170.4 | -20.2 | 34.4 | 0 | 0 | 0 | 111.4 | D339 Q340 L341 Y385 | P337-D339 WeakPolarHBondContact CB-OD1 3.28Å; P337-D339 PolarHBondContact O-N 2.85Å; P337-Q340 HydrophobicContact CB-CB 4.3Å; P337-Q340 HydrophobicContact CB-CG 3.97Å; P337-Q340 HydrophobicContact CG-CG 4.32Å; P337-Q340 PolarHBondContact O-N 3.18Å; P337-Q340 VanDerWaalsContact O-N 3.17Å; P337-L341 WeakPolarHBondContact O-CG 3.4Å; P337-Y385 HydrophobicContact CG-CD1 4.4Å; P337-Y385 HydrophobicContact CG-CE1 3.67Å; P337-Y385 HydrophobicContact CG-CE2 3.81Å; P337-Y385 WeakPolarHBondContact CG-OH 3.46Å | ||
| 338 | E | 82.5 | Confident | 87.7 | Confident | 150 Ų | 150 | 46.8 Ų | 46.8 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -67.2 | -37.4 | -173.6 | -70.5 | -179.1 | 179.7 | 0 | 0 | 112.2 | Q340 L341 | E338-Q340 PolarHBondContact O-N 3.06Å; E338-L341 WeakPolarHBondContact O-CB 3.15Å; E338-L341 PolarHBondContact O-N 3.24Å; E338-L341 VanDerWaalsContact O-N 3.12Å |
| 339 | D | 80.8 | Confident | 87.6 | Confident | 124 Ų | 124 | 46.4 Ų | 46.4 | 66% | 0.663 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -62 | -21.2 | 176.1 | 58 | -54 | 0 | 0 | 0 | 113 | P337 | P337-D339 WeakPolarHBondContact CB-OD1 3.28Å; P337-D339 PolarHBondContact O-N 2.85Å |
| 340 | Q | 77.6 | Confident | 87.7 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -95.7 | -1.3 | 178.9 | -61.3 | -176.3 | -10.1 | 0 | 0 | 113.2 | P337 E338 E381 Y382 | P337-Q340 HydrophobicContact CB-CB 4.3Å; P337-Q340 HydrophobicContact CB-CG 3.97Å; P337-Q340 HydrophobicContact CG-CG 4.32Å; P337-Q340 PolarHBondContact O-N 3.18Å; P337-Q340 VanDerWaalsContact O-N 3.17Å; E338-Q340 PolarHBondContact O-N 3.06Å; Q340-E381 VanDerWaalsContact CD-OE1 3.22Å; Q340-E381 PolarHBondContact NE2-OE1 3Å; Q340-E381 PolarHBondContact OE1-OE1 3.39Å; Q340-E381 VanDerWaalsContact OE1-OE1 3.04Å; Q340-Y382 PolarHBondContact O-OH 3.04Å |
| 341 | L | 85 | Confident | 87.8 | Confident | 30 Ų | 30 | 44.1 Ų | 44.1 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -16.3 | -171.7 | -68.9 | -179.8 | 0 | 0 | 0 | 115 | L333 C336 P337 E338 H343 V344 T345 | L333-L341 HydrophobicContact CB-CD2 3.88Å; L333-L341 HydrophobicContact CD1-CD2 4.32Å; L333-L341 HydrophobicContact CD2-CD2 4.47Å; L333-L341 HydrophobicContact CG-CD2 4.45Å; C336-L341 HydrophobicContact CB-CD2 3.78Å; P337-L341 WeakPolarHBondContact O-CG 3.4Å; E338-L341 WeakPolarHBondContact O-CB 3.15Å; E338-L341 PolarHBondContact O-N 3.24Å; E338-L341 VanDerWaalsContact O-N 3.12Å; L341-H343 PolarHBondContact O-N 2.91Å; L341-V344 PolarHBondContact O-N 3.28Å; L341-T345 HydrophobicContact CB-CG2 3.96Å; L341-T345 WeakPolarHBondContact O-CG2 3.23Å; L341-T345 PolarHBondContact O-N 3.1Å; L341-T345 PolarHBondContact O-OG1 3.19Å |
| 342 | N | 79.9 | Confident | 87.9 | Confident | 121 Ų | 121 | 40.4 Ų | 40.4 | 65% | 0.647 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -51.6 | -34.4 | -172 | -69.8 | -22.9 | 0 | 0 | 0 | 114.4 | T345 | N342-T345 WeakPolarHBondContact CA-OG1 3.43Å; N342-T345 PolarHBondContact O-OG1 3.17Å |
| 343 | H | 74.2 | Confident | 87.9 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -74.7 | -31.4 | -179.6 | -126.5 | 66 | 0 | 0 | 0 | 113.2 | L341 F367 E375 | L341-H343 PolarHBondContact O-N 2.91Å; H343-F367 WeakPolarHBondContact O-CZ 3.26Å; H343-E375 IonicContact CD2-OE2 3.23Å; H343-E375 IonicContact NE2-OE2 3.29Å; H343-E375 PolarHBondContact NE2-OE2 3.37Å |
| 344 | V | 83.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -95.2 | -27.7 | -174.3 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | L333 L341 E346 M347 F367 W368 Y382 | L333-V344 HydrophobicContact CD1-CB 4.16Å; L333-V344 HydrophobicContact CD1-CG1 3.7Å; L333-V344 HydrophobicContact CD2-CB 4.45Å; L333-V344 HydrophobicContact CD2-CG1 3.79Å; L333-V344 HydrophobicContact CG-CG1 4.39Å; L341-V344 PolarHBondContact O-N 3.28Å; V344-E346 PolarHBondContact O-N 2.91Å; V344-M347 HydrophobicContact CG1-CE 3.59Å; V344-M347 WeakPolarHBondContact O-CB 3.28Å; V344-M347 PolarHBondContact O-N 3.3Å; V344-M347 VanDerWaalsContact O-N 3.09Å; V344-F367 HydrophobicContact CB-CE1 4.41Å; V344-F367 HydrophobicContact CB-CZ 4.32Å; V344-F367 HydrophobicContact CG1-CE1 4.02Å; V344-F367 HydrophobicContact CG1-CZ 4.31Å; V344-F367 HydrophobicContact CG2-CE1 4.1Å; V344-F367 HydrophobicContact CG2-CZ 4.15Å; V344-W368 HydrophobicContact CG1-CH2 4.39Å; V344-W368 HydrophobicContact CG1-CZ2 4.39Å; V344-W368 HydrophobicContact CG2-CH2 4.27Å; V344-Y382 HydrophobicContact CG2-CD1 4.48Å; V344-Y382 HydrophobicContact CG2-CD2 4.33Å; V344-Y382 HydrophobicContact CG2-CE1 3.85Å; V344-Y382 HydrophobicContact CG2-CE2 3.62Å; V344-Y382 WeakPolarHBondContact CG2-OH 3.21Å |
| 345 | T | 82.4 | Confident | 87.7 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 47% | 0.472 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -28 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | L341 N342 M347 | L341-T345 HydrophobicContact CB-CG2 3.96Å; L341-T345 WeakPolarHBondContact O-CG2 3.23Å; L341-T345 PolarHBondContact O-N 3.1Å; L341-T345 PolarHBondContact O-OG1 3.19Å; N342-T345 WeakPolarHBondContact CA-OG1 3.43Å; N342-T345 PolarHBondContact O-OG1 3.17Å; T345-M347 VanDerWaalsContact C-N 3.32Å |
| 346 | E | 87 | Confident | 87.8 | Confident | 61 Ų | 61 | 48.7 Ų | 48.7 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 15.9 | 174.7 | -61.5 | -158 | 139.8 | 0 | 0 | 113.9 | V344 S348 L349 Y350 R527 | V344-E346 PolarHBondContact O-N 2.91Å; E346-S348 PolarHBondContact O-N 2.67Å; E346-L349 HydrophobicContact CB-CD1 3.86Å; E346-L349 HydrophobicContact CB-CG 4.22Å; E346-L349 HydrophobicContact CG-CD1 4.33Å; E346-L349 WeakPolarHBondContact O-CB 3.46Å; E346-L349 WeakPolarHBondContact O-CG 3.18Å; E346-L349 PolarHBondContact O-N 3.46Å; E346-Y350 HydrophobicContact CB-CE2 4.38Å; E346-Y350 WeakPolarHBondContact O-CD2 3.31Å; E346-Y350 WeakPolarHBondContact O-CE2 3.38Å; E346-R527 IonicContact OE1-CZ 3.07Å; E346-R527 VanDerWaalsContact OE1-CZ 3.27Å; E346-R527 IonicContact OE1-NH1 3.95Å; E346-R527 PolarHBondContact OE1-NH1 2.86Å; E346-R527 IonicContact OE1-NH2 3.74Å; E346-R527 PolarHBondContact OE1-NH2 2.92Å |
| 347 | M | 93 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -47.2 | -40.3 | -179.9 | 177 | 177.2 | -60.5 | 0 | 0 | 113 | V344 T345 L349 Y350 V351 V359 F364 F367 W368 | V344-M347 HydrophobicContact CG1-CE 3.59Å; V344-M347 WeakPolarHBondContact O-CB 3.28Å; V344-M347 PolarHBondContact O-N 3.3Å; V344-M347 VanDerWaalsContact O-N 3.09Å; T345-M347 VanDerWaalsContact C-N 3.32Å; M347-L349 PolarHBondContact O-N 3.36Å; M347-L349 VanDerWaalsContact O-N 3.07Å; M347-Y350 PolarHBondContact O-N 3.24Å; M347-Y350 VanDerWaalsContact O-N 3.08Å; M347-V351 HydrophobicContact CG-CG2 3.95Å; M347-V351 WeakPolarHBondContact O-CG2 3.38Å; M347-V359 HydrophobicContact CB-CG2 4.35Å; M347-V359 HydrophobicContact CG-CG1 4.25Å; M347-V359 HydrophobicContact CG-CG2 3.9Å; M347-V359 HydrophobicContact SD-CB 4.27Å; M347-V359 HydrophobicContact SD-CG1 3.72Å; M347-V359 HydrophobicContact SD-CG2 3.99Å; M347-F364 HydrophobicContact CE-CD2 4.19Å; M347-F364 HydrophobicContact SD-CD2 4.08Å; M347-F367 HydrophobicContact CB-CD2 3.94Å; M347-F367 HydrophobicContact CB-CE2 4.05Å; M347-F367 HydrophobicContact CB-CG 4.32Å; M347-F367 HydrophobicContact CE-CB 4.02Å; M347-F367 HydrophobicContact CE-CD1 3.17Å; M347-F367 HydrophobicContact CE-CD2 4.25Å; M347-F367 HydrophobicContact CE-CE1 3.57Å; M347-F367 HydrophobicContact CE-CG 3.54Å; M347-F367 HydrophobicContact CE-CZ 4.25Å; M347-F367 HydrophobicContact CG-CB 3.79Å; M347-F367 HydrophobicContact CG-CD1 4.26Å; M347-F367 HydrophobicContact CG-CD2 3.58Å; M347-F367 HydrophobicContact CG-CE2 4.19Å; M347-F367 HydrophobicContact CG-CG 3.6Å; M347-F367 HydrophobicContact SD-CB 4Å; M347-F367 HydrophobicContact SD-CD1 4.23Å; M347-F367 HydrophobicContact SD-CG 4.01Å; M347-W368 HydrophobicContact CE-CZ2 4.49Å |
| 348 | S | 92.4 | Very high | 88.3 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -59.2 | -20 | 179.6 | 59 | 0 | 0 | 0 | 0 | 114.6 | E346 Y350 R511 | E346-S348 PolarHBondContact O-N 2.67Å; S348-Y350 VanDerWaalsContact C-N 3.34Å; S348-R511 PolarHBondContact O-NH2 2.73Å |
| 349 | L | 93.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -71.5 | -31.3 | 177.2 | -62.4 | -177.2 | 0 | 0 | 0 | 112.4 | E346 M347 T525 R527 | E346-L349 HydrophobicContact CB-CD1 3.86Å; E346-L349 HydrophobicContact CB-CG 4.22Å; E346-L349 HydrophobicContact CG-CD1 4.33Å; E346-L349 WeakPolarHBondContact O-CB 3.46Å; E346-L349 WeakPolarHBondContact O-CG 3.18Å; E346-L349 PolarHBondContact O-N 3.46Å; M347-L349 PolarHBondContact O-N 3.36Å; M347-L349 VanDerWaalsContact O-N 3.07Å; L349-T525 HydrophobicContact CD2-CG2 4.23Å; L349-T525 WeakPolarHBondContact CD2-OG1 3.42Å; L349-R527 HydrophobicContact CD2-CB 3.96Å; L349-R527 WeakPolarHBondContact CD2-O 3.28Å |
| 350 | Y | 95.7 | Very high | 89.6 | Confident | 38 Ų | 38 | 40.7 Ų | 40.7 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -22.2 | -169 | -54.4 | -86 | 0 | 0 | 0 | 113.3 | E346 M347 S348 F367 L370 S529 W531 V532 A533 | E346-Y350 HydrophobicContact CB-CE2 4.38Å; E346-Y350 WeakPolarHBondContact O-CD2 3.31Å; E346-Y350 WeakPolarHBondContact O-CE2 3.38Å; M347-Y350 PolarHBondContact O-N 3.24Å; M347-Y350 VanDerWaalsContact O-N 3.08Å; S348-Y350 VanDerWaalsContact C-N 3.34Å; Y350-F367 HydrophobicContact CD2-CD2 4.33Å; Y350-F367 HydrophobicContact CD2-CE2 4.12Å; Y350-L370 HydrophobicContact CD1-CD2 4.1Å; Y350-L370 HydrophobicContact CG-CD2 4.35Å; Y350-S529 WeakPolarHBondContact CD1-OG 3.47Å; Y350-S529 WeakPolarHBondContact CE1-OG 3.47Å; Y350-W531 HydrophobicContact CD1-CB 4.07Å; Y350-W531 WeakPolarHBondContact CD1-O 3.38Å; Y350-W531 HydrophobicContact CE1-CB 4.38Å; Y350-V532 CarbonylContact O-C 3.53Å; Y350-V532 WeakPolarHBondContact O-CA 3.48Å; Y350-A533 PolarHBondContact O-N 3.02Å |
| 351 | V | 96.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -135.6 | 170.6 | -165.1 | -54.6 | 0 | 0 | 0 | 0 | 113.7 | M347 T353 V359 G363 A366 F367 R511 A533 | M347-V351 HydrophobicContact CG-CG2 3.95Å; M347-V351 WeakPolarHBondContact O-CG2 3.38Å; V351-T353 PolarHBondContact O-N 2.9Å; V351-V359 HydrophobicContact CG2-CG1 3.91Å; V351-G363 WeakPolarHBondContact CB-O 3.41Å; V351-G363 WeakPolarHBondContact CG1-O 3.26Å; V351-G363 WeakPolarHBondContact CG2-O 3.46Å; V351-A366 HydrophobicContact CG1-CB 4.09Å; V351-F367 HydrophobicContact CG1-CB 3.82Å; V351-R511 PolarHBondContact O-NH2 3.08Å; V351-A533 HydrophobicContact CG1-CB 4.38Å |
| 352 | A | 94.5 | Very high | 91 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | trans | -66.5 | 128.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | T360 | A352-T360 PolarHBondContact O-N 2.71Å; A352-T360 PolarHBondContact O-OG1 3.4Å | ||
| 353 | T | 94.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -120.2 | 155.5 | 177.9 | 54.3 | 0 | 0 | 0 | 0 | 110.6 | V351 G357 W358 V359 R511 G518 | V351-T353 PolarHBondContact O-N 2.9Å; T353-G357 WeakPolarHBondContact CG2-O 3.5Å; T353-W358 CarbonylContact C-O 3.5Å; T353-W358 WeakPolarHBondContact CA-O 3.32Å; T353-W358 WeakPolarHBondContact CB-O 3.05Å; T353-V359 HydrophobicContact CG2-CG2 4.42Å; T353-R511 PolarHBondContact OG1-NH2 3.43Å; T353-G518 PolarHBondContact OG1-O 3.45Å |
| 354 | N | 91.8 | Very high | 92.9 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | trans | -73 | -177.8 | 169.9 | 74.5 | 6.2 | 0 | 0 | 0 | 111.2 | M356 G357 W358 | N354-M356 PolarHBondContact O-N 3.4Å; N354-M356 WeakPolarHBondContact OD1-CA 3.45Å; N354-M356 WeakPolarHBondContact OD1-CB 3.14Å; N354-M356 PolarHBondContact OD1-N 2.81Å; N354-G357 PolarHBondContact O-N 3.43Å; N354-G357 PolarHBondContact OD1-N 2.86Å; N354-G357 VanDerWaalsContact OD1-N 3.12Å; N354-W358 PolarHBondContact N-O 3.36Å; N354-W358 PolarHBondContact OD1-N 3.13Å | ||
| 355 | S | 89.9 | Confident | 93.6 | Very high | 71 Ų | 71 | 33.7 Ų | 33.7 | 50% | 0.497 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.6 | 179.1 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | G357 G518 | S355-G357 VanDerWaalsContact C-N 3.34Å; S355-G518 WeakPolarHBondContact O-CA 3.46Å; S355-G518 PolarHBondContact O-N 2.86Å |
| 356 | M | 92.6 | Very high | 94.3 | Very high | 119 Ų | 119 | 30 Ų | 30 | 59% | 0.586 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.1 | 175 | -58.4 | -56.8 | 166 | 0 | 0 | 112.8 | N354 W358 | N354-M356 PolarHBondContact O-N 3.4Å; N354-M356 WeakPolarHBondContact OD1-CA 3.45Å; N354-M356 WeakPolarHBondContact OD1-CB 3.14Å; N354-M356 PolarHBondContact OD1-N 2.81Å; M356-W358 HydrophobicContact CB-CD2 4.01Å; M356-W358 HydrophobicContact CB-CE3 4.49Å; M356-W358 HydrophobicContact CB-CG 4.26Å; M356-W358 HydrophobicContact CB-CZ2 4.35Å |
| 357 | G | 92.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 84.7 | 7.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T353 N354 S355 | T353-G357 WeakPolarHBondContact CG2-O 3.5Å; N354-G357 PolarHBondContact O-N 3.43Å; N354-G357 PolarHBondContact OD1-N 2.86Å; N354-G357 VanDerWaalsContact OD1-N 3.12Å; S355-G357 VanDerWaalsContact C-N 3.34Å |
| 358 | W | 95.1 | Very high | 95.1 | Very high | 80 Ų | 80 | 27.3 Ų | 27.3 | 30% | 0.303 | 14% | 0.141 | S | C | . | . | P | Polyproline II helix | trans | -77.7 | 142.1 | 176.8 | -58.6 | -18.4 | 0 | 0 | 0 | 110.8 | C323 L324 T353 N354 M356 T360 | C323-W358 HydrophobicContact CB-CB 4.07Å; L324-W358 WeakPolarHBondContact O-CB 3.12Å; T353-W358 CarbonylContact C-O 3.5Å; T353-W358 WeakPolarHBondContact CA-O 3.32Å; T353-W358 WeakPolarHBondContact CB-O 3.05Å; N354-W358 PolarHBondContact N-O 3.36Å; N354-W358 PolarHBondContact OD1-N 3.13Å; M356-W358 HydrophobicContact CB-CD2 4.01Å; M356-W358 HydrophobicContact CB-CE3 4.49Å; M356-W358 HydrophobicContact CB-CG 4.26Å; M356-W358 HydrophobicContact CB-CZ2 4.35Å; W358-T360 PolarHBondContact O-N 3.36Å |
| 359 | V | 95.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 123.3 | -175.7 | 177.3 | 0 | 0 | 0 | 0 | 109 | C323 L324 M347 V351 T353 F364 | C323-V359 CarbonylContact C-O 3.38Å; C323-V359 WeakPolarHBondContact CA-O 3.3Å; L324-V359 PolarHBondContact N-O 3.28Å; L324-V359 PolarHBondContact O-N 2.99Å; M347-V359 HydrophobicContact CB-CG2 4.35Å; M347-V359 HydrophobicContact CG-CG1 4.25Å; M347-V359 HydrophobicContact CG-CG2 3.9Å; M347-V359 HydrophobicContact SD-CB 4.27Å; M347-V359 HydrophobicContact SD-CG1 3.72Å; M347-V359 HydrophobicContact SD-CG2 3.99Å; V351-V359 HydrophobicContact CG2-CG1 3.91Å; T353-V359 HydrophobicContact CG2-CG2 4.42Å; V359-F364 HydrophobicContact CG1-CB 4.04Å |
| 360 | T | 96 | Very high | 95.6 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 18% | 0.178 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 160 | 175.8 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | A352 W358 Q362 G363 F364 | A352-T360 PolarHBondContact O-N 2.71Å; A352-T360 PolarHBondContact O-OG1 3.4Å; W358-T360 PolarHBondContact O-N 3.36Å; T360-Q362 VanDerWaalsContact C-N 3.27Å; T360-Q362 PolarHBondContact O-N 2.8Å; T360-G363 CarbonylContact O-C 3.59Å; T360-G363 WeakPolarHBondContact O-CA 3.29Å; T360-G363 PolarHBondContact O-N 3.14Å; T360-G363 PolarHBondContact OG1-N 2.95Å; T360-G363 VanDerWaalsContact OG1-N 3.08Å; T360-F364 PolarHBondContact O-N 3.35Å |
| 361 | R | 96.6 | Very high | 95.6 | Very high | 63 Ų | 63 | 25.4 Ų | 25.4 | 24% | 0.238 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -48.6 | -48.1 | 170.9 | -178.7 | -176.7 | -63.1 | -88 | -6 | 113.2 | F313 N314 D317 G322 G363 F364 M365 | F313-R361 HydrophobicContact CD1-CB 4.36Å; F313-R361 HydrophobicContact CD1-CG 4.27Å; F313-R361 HydrophobicContact CD2-CB 4.47Å; F313-R361 HydrophobicContact CE1-CB 3.87Å; F313-R361 HydrophobicContact CE1-CG 4.26Å; F313-R361 HydrophobicContact CE2-CB 3.98Å; F313-R361 HydrophobicContact CG-CG 4.41Å; F313-R361 HydrophobicContact CZ-CB 3.67Å; F313-R361 HydrophobicContact CZ-CG 4.4Å; N314-R361 PolarHBondContact OD1-NH1 3.24Å; N314-R361 PolarHBondContact OD1-NH2 2.87Å; D317-R361 IonicContact OD2-NH2 3.32Å; G322-R361 PolarHBondContact O-N 3.2Å; R361-G363 VanDerWaalsContact C-N 3.29Å; R361-G363 PolarHBondContact O-N 3.04Å; R361-F364 PolarHBondContact O-N 3.16Å; R361-M365 HydrophobicContact CG-CE 4.31Å; R361-M365 WeakPolarHBondContact O-CG 3.49Å; R361-M365 PolarHBondContact O-N 3.19Å |
| 362 | Q | 94.9 | Very high | 95.7 | Very high | 43 Ų | 43 | 25.4 Ų | 25.4 | 20% | 0.201 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 178 | -177.3 | -171.5 | -15.3 | 0 | 0 | 111.5 | T360 M365 A366 S534 S535 F764 | T360-Q362 VanDerWaalsContact C-N 3.27Å; T360-Q362 PolarHBondContact O-N 2.8Å; Q362-M365 PolarHBondContact O-N 3.37Å; Q362-A366 VanDerWaalsContact O-CB 3.31Å; Q362-A366 WeakPolarHBondContact O-CB 3.47Å; Q362-A366 PolarHBondContact O-N 3.36Å; Q362-S534 PolarHBondContact NE2-OG 3.16Å; Q362-S534 VanDerWaalsContact NE2-OG 3.16Å; Q362-S535 VanDerWaalsContact CD-O 3.31Å; Q362-S535 VanDerWaalsContact CG-O 3.29Å; Q362-S535 WeakPolarHBondContact CG-O 3.3Å; Q362-S535 VanDerWaalsContact CG-OG 3.29Å; Q362-S535 WeakPolarHBondContact CG-OG 3.22Å; Q362-S535 PolarHBondContact NE2-O 3.39Å; Q362-S535 PolarHBondContact O-OG 3.12Å; Q362-F764 VanDerWaalsContact NE2-CZ 3.3Å |
| 363 | G | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V351 T360 R361 M365 A366 F367 | V351-G363 WeakPolarHBondContact CB-O 3.41Å; V351-G363 WeakPolarHBondContact CG1-O 3.26Å; V351-G363 WeakPolarHBondContact CG2-O 3.46Å; T360-G363 CarbonylContact O-C 3.59Å; T360-G363 WeakPolarHBondContact O-CA 3.29Å; T360-G363 PolarHBondContact O-N 3.14Å; T360-G363 PolarHBondContact OG1-N 2.95Å; T360-G363 VanDerWaalsContact OG1-N 3.08Å; R361-G363 VanDerWaalsContact C-N 3.29Å; R361-G363 PolarHBondContact O-N 3.04Å; G363-M365 PolarHBondContact O-N 2.76Å; G363-A366 PolarHBondContact O-N 2.94Å; G363-F367 PolarHBondContact O-N 3.12Å |
| 364 | F | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 175.7 | 179 | -97 | 0 | 0 | 0 | 111.3 | L309 L312 F313 L324 L332 M347 V359 T360 R361 A366 F367 W368 | L309-F364 HydrophobicContact CB-CE1 4.21Å; L309-F364 HydrophobicContact CD2-CE1 4.03Å; L309-F364 HydrophobicContact CD2-CZ 4.29Å; L312-F364 HydrophobicContact CD2-CZ 4.25Å; F313-F364 HydrophobicContact CB-CD1 4.14Å; F313-F364 HydrophobicContact CB-CE1 4.07Å; F313-F364 HydrophobicContact CD2-CB 3.76Å; F313-F364 AromaticContact CD2-CD1 3.7Å; F313-F364 HydrophobicContact CD2-CD1 3.7Å; F313-F364 HydrophobicContact CD2-CD2 4.3Å; F313-F364 HydrophobicContact CD2-CE1 4.31Å; F313-F364 AromaticContact CD2-CG 3.67Å; F313-F364 HydrophobicContact CD2-CG 3.67Å; F313-F364 HydrophobicContact CE2-CB 3.94Å; F313-F364 HydrophobicContact CE2-CG 4.29Å; F313-F364 HydrophobicContact CG-CD1 4.38Å; L324-F364 HydrophobicContact CD1-CD2 3.66Å; L324-F364 HydrophobicContact CD1-CE2 3.93Å; L324-F364 HydrophobicContact CD1-CG 4.31Å; L332-F364 HydrophobicContact CD1-CE2 3.9Å; L332-F364 HydrophobicContact CD1-CZ 4.01Å; M347-F364 HydrophobicContact CE-CD2 4.19Å; M347-F364 HydrophobicContact SD-CD2 4.08Å; V359-F364 HydrophobicContact CG1-CB 4.04Å; T360-F364 PolarHBondContact O-N 3.35Å; R361-F364 PolarHBondContact O-N 3.16Å; F364-A366 PolarHBondContact O-N 2.82Å; F364-F367 PolarHBondContact O-N 3.44Å; F364-W368 AromaticContact CD1-CD1 3.96Å; F364-W368 AromaticContact CD2-NE1 3.71Å; F364-W368 AromaticContact CE1-CD1 3.75Å; F364-W368 AromaticContact CE1-NE1 3.6Å; F364-W368 AromaticContact CE2-NE1 3.19Å; F364-W368 AromaticContact CZ-CD1 3.8Å; F364-W368 AromaticContact CZ-NE1 3.14Å; F364-W368 PolarHBondContact O-N 3.04Å |
| 365 | M | 97.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 11% | 0.108 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 175.4 | -61.9 | -54.4 | 150.7 | 0 | 0 | 111.9 | L309 N310 F313 R361 Q362 G363 F367 W368 M369 | L309-M365 HydrophobicContact CB-CE 4.11Å; L309-M365 HydrophobicContact CB-SD 3.71Å; L309-M365 HydrophobicContact CD1-SD 4.29Å; N310-M365 HydrophobicContact CB-CE 4.37Å; N310-M365 WeakPolarHBondContact OD1-CE 3.33Å; F313-M365 HydrophobicContact CB-CE 4.19Å; R361-M365 HydrophobicContact CG-CE 4.31Å; R361-M365 WeakPolarHBondContact O-CG 3.49Å; R361-M365 PolarHBondContact O-N 3.19Å; Q362-M365 PolarHBondContact O-N 3.37Å; G363-M365 PolarHBondContact O-N 2.76Å; M365-F367 VanDerWaalsContact C-N 3.3Å; M365-F367 PolarHBondContact O-N 2.95Å; M365-W368 PolarHBondContact O-N 3.2Å; M365-M369 VanDerWaalsContact O-CG 3.31Å; M365-M369 WeakPolarHBondContact O-CG 3.38Å; M365-M369 PolarHBondContact O-N 2.92Å |
| 366 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63 | -36.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V351 Q362 G363 F364 M369 L370 A533 | V351-A366 HydrophobicContact CG1-CB 4.09Å; Q362-A366 VanDerWaalsContact O-CB 3.31Å; Q362-A366 WeakPolarHBondContact O-CB 3.47Å; Q362-A366 PolarHBondContact O-N 3.36Å; G363-A366 PolarHBondContact O-N 2.94Å; F364-A366 PolarHBondContact O-N 2.82Å; A366-M369 PolarHBondContact O-N 2.92Å; A366-L370 WeakPolarHBondContact O-CB 3.15Å; A366-L370 PolarHBondContact O-N 2.98Å; A366-A533 HydrophobicContact CB-CB 4.02Å |
| 367 | F | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -50.3 | 177.9 | 177.1 | -94.2 | 0 | 0 | 0 | 110.7 | H343 V344 M347 Y350 V351 G363 F364 M365 M369 L370 T371 | H343-F367 WeakPolarHBondContact O-CZ 3.26Å; V344-F367 HydrophobicContact CB-CE1 4.41Å; V344-F367 HydrophobicContact CB-CZ 4.32Å; V344-F367 HydrophobicContact CG1-CE1 4.02Å; V344-F367 HydrophobicContact CG1-CZ 4.31Å; V344-F367 HydrophobicContact CG2-CE1 4.1Å; V344-F367 HydrophobicContact CG2-CZ 4.15Å; M347-F367 HydrophobicContact CB-CD2 3.94Å; M347-F367 HydrophobicContact CB-CE2 4.05Å; M347-F367 HydrophobicContact CB-CG 4.32Å; M347-F367 HydrophobicContact CE-CB 4.02Å; M347-F367 HydrophobicContact CE-CD1 3.17Å; M347-F367 HydrophobicContact CE-CD2 4.25Å; M347-F367 HydrophobicContact CE-CE1 3.57Å; M347-F367 HydrophobicContact CE-CG 3.54Å; M347-F367 HydrophobicContact CE-CZ 4.25Å; M347-F367 HydrophobicContact CG-CB 3.79Å; M347-F367 HydrophobicContact CG-CD1 4.26Å; M347-F367 HydrophobicContact CG-CD2 3.58Å; M347-F367 HydrophobicContact CG-CE2 4.19Å; M347-F367 HydrophobicContact CG-CG 3.6Å; M347-F367 HydrophobicContact SD-CB 4Å; M347-F367 HydrophobicContact SD-CD1 4.23Å; M347-F367 HydrophobicContact SD-CG 4.01Å; Y350-F367 HydrophobicContact CD2-CD2 4.33Å; Y350-F367 HydrophobicContact CD2-CE2 4.12Å; V351-F367 HydrophobicContact CG1-CB 3.82Å; G363-F367 PolarHBondContact O-N 3.12Å; F364-F367 PolarHBondContact O-N 3.44Å; M365-F367 VanDerWaalsContact C-N 3.3Å; M365-F367 PolarHBondContact O-N 2.95Å; F367-M369 VanDerWaalsContact C-N 3.31Å; F367-M369 PolarHBondContact O-N 3.2Å; F367-L370 WeakPolarHBondContact O-CB 3.44Å; F367-L370 PolarHBondContact O-N 3Å; F367-L370 VanDerWaalsContact O-N 3.12Å; F367-T371 PolarHBondContact O-N 2.85Å; F367-T371 PolarHBondContact O-OG1 2.9Å; F367-T371 VanDerWaalsContact O-OG1 3.07Å |
| 368 | W | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.6 | -34.1 | 180 | -65.5 | 115 | 0 | 0 | 0 | 112.4 | I301 L309 V344 M347 F364 M365 L370 T371 A372 L379 Y382 F383 L386 | I301-W368 HydrophobicContact CD1-CB 3.7Å; L309-W368 HydrophobicContact CD1-CB 3.53Å; L309-W368 HydrophobicContact CD1-CG 3.83Å; L309-W368 HydrophobicContact CD2-CB 4.41Å; L309-W368 HydrophobicContact CD2-CD2 4.29Å; L309-W368 HydrophobicContact CD2-CG 3.84Å; V344-W368 HydrophobicContact CG1-CH2 4.39Å; V344-W368 HydrophobicContact CG1-CZ2 4.39Å; V344-W368 HydrophobicContact CG2-CH2 4.27Å; M347-W368 HydrophobicContact CE-CZ2 4.49Å; F364-W368 AromaticContact CD1-CD1 3.96Å; F364-W368 AromaticContact CD2-NE1 3.71Å; F364-W368 AromaticContact CE1-CD1 3.75Å; F364-W368 AromaticContact CE1-NE1 3.6Å; F364-W368 AromaticContact CE2-NE1 3.19Å; F364-W368 AromaticContact CZ-CD1 3.8Å; F364-W368 AromaticContact CZ-NE1 3.14Å; F364-W368 PolarHBondContact O-N 3.04Å; M365-W368 PolarHBondContact O-N 3.2Å; W368-L370 VanDerWaalsContact C-N 3.32Å; W368-L370 PolarHBondContact O-N 2.94Å; W368-T371 PolarHBondContact O-N 3.09Å; W368-A372 WeakPolarHBondContact O-CB 3.32Å; W368-A372 PolarHBondContact O-N 3.32Å; W368-L379 HydrophobicContact CB-CD1 4.34Å; W368-L379 HydrophobicContact CD2-CD1 4.46Å; W368-L379 HydrophobicContact CE3-CD1 3.65Å; W368-L379 HydrophobicContact CZ3-CD1 4.37Å; W368-Y382 HydrophobicContact CH2-CD2 4.03Å; W368-Y382 AromaticContact CH2-CG 3.9Å; W368-Y382 HydrophobicContact CH2-CG 3.9Å; W368-Y382 AromaticContact CZ3-CD2 3.7Å; W368-Y382 HydrophobicContact CZ3-CD2 3.7Å; W368-Y382 AromaticContact CZ3-CG 3.95Å; W368-Y382 HydrophobicContact CZ3-CG 3.95Å; W368-F383 HydrophobicContact CD2-CE1 4.43Å; W368-F383 HydrophobicContact CE3-CE1 4.26Å; W368-L386 HydrophobicContact CH2-CD1 4.31Å; W368-L386 HydrophobicContact CZ2-CD1 4.26Å |
| 369 | M | 98.2 | Very high | 96.6 | Very high | 14 Ų | 14 | 26 Ų | 26 | 7% | 0.069 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 172.6 | -69.3 | -65.6 | -106.3 | 0 | 0 | 112.1 | I301 M365 A366 F367 A372 Y373 V488 T545 | I301-M369 HydrophobicContact CB-SD 3.66Å; I301-M369 HydrophobicContact CD1-CG 4.32Å; I301-M369 HydrophobicContact CD1-SD 3.78Å; I301-M369 HydrophobicContact CG1-SD 3.58Å; I301-M369 VanDerWaalsContact CG1-SD 3.58Å; M365-M369 VanDerWaalsContact O-CG 3.31Å; M365-M369 WeakPolarHBondContact O-CG 3.38Å; M365-M369 PolarHBondContact O-N 2.92Å; A366-M369 PolarHBondContact O-N 2.92Å; F367-M369 VanDerWaalsContact C-N 3.31Å; F367-M369 PolarHBondContact O-N 3.2Å; M369-A372 PolarHBondContact O-N 3Å; M369-Y373 PolarHBondContact O-N 2.56Å; M369-Y373 VanDerWaalsContact O-N 3.11Å; M369-V488 HydrophobicContact CB-CG2 4.37Å; M369-V488 HydrophobicContact CE-CG2 3.43Å; M369-V488 VanDerWaalsContact CE-CG2 3.43Å; M369-V488 HydrophobicContact SD-CG2 4.15Å; M369-T545 HydrophobicContact CB-CG2 4.02Å |
| 370 | L | 98 | Very high | 96.7 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 172.3 | 178.1 | 66.2 | 0 | 0 | 0 | 111.3 | Y350 A366 F367 W368 A372 Y373 L374 W531 A533 L547 | Y350-L370 HydrophobicContact CD1-CD2 4.1Å; Y350-L370 HydrophobicContact CG-CD2 4.35Å; A366-L370 WeakPolarHBondContact O-CB 3.15Å; A366-L370 PolarHBondContact O-N 2.98Å; F367-L370 WeakPolarHBondContact O-CB 3.44Å; F367-L370 PolarHBondContact O-N 3Å; F367-L370 VanDerWaalsContact O-N 3.12Å; W368-L370 VanDerWaalsContact C-N 3.32Å; W368-L370 PolarHBondContact O-N 2.94Å; L370-A372 VanDerWaalsContact C-N 3.31Å; L370-A372 PolarHBondContact O-N 3.27Å; L370-Y373 PolarHBondContact O-N 3.21Å; L370-L374 HydrophobicContact CD1-CD1 3.57Å; L370-L374 HydrophobicContact CD1-CG 4Å; L370-L374 HydrophobicContact CG-CD1 3.98Å; L370-L374 PolarHBondContact O-N 2.83Å; L370-W531 HydrophobicContact CD1-CE3 3.83Å; L370-W531 HydrophobicContact CD1-CZ3 4.28Å; L370-W531 HydrophobicContact CD2-CB 4.5Å; L370-A533 HydrophobicContact CB-CB 3.9Å; L370-A533 HydrophobicContact CD2-CB 4.21Å; L370-A533 HydrophobicContact CG-CB 4.47Å; L370-L547 HydrophobicContact CB-CD2 4.14Å; L370-L547 HydrophobicContact CD1-CB 4.49Å; L370-L547 HydrophobicContact CD1-CD1 4.03Å; L370-L547 HydrophobicContact CD1-CD2 4.03Å; L370-L547 HydrophobicContact CD1-CG 4.41Å |
| 371 | T | 97.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.1 | -47.9 | 0 | 0 | 0 | 0 | 111.4 | F367 W368 Y373 L374 E375 L379 | F367-T371 PolarHBondContact O-N 2.85Å; F367-T371 PolarHBondContact O-OG1 2.9Å; F367-T371 VanDerWaalsContact O-OG1 3.07Å; W368-T371 PolarHBondContact O-N 3.09Å; T371-Y373 VanDerWaalsContact C-N 3.27Å; T371-Y373 PolarHBondContact O-N 2.75Å; T371-L374 PolarHBondContact O-N 3.05Å; T371-E375 CarbonylContact O-C 3.49Å; T371-E375 WeakPolarHBondContact O-CA 3.29Å; T371-E375 PolarHBondContact O-N 3.32Å; T371-L379 HydrophobicContact CG2-CB 4.14Å |
| 372 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T299 I301 W368 M369 L370 L379 | T299-A372 WeakPolarHBondContact CB-O 3.45Å; T299-A372 PolarHBondContact OG1-O 3.46Å; I301-A372 HydrophobicContact CD1-CB 4.3Å; I301-A372 HydrophobicContact CG1-CB 3.6Å; W368-A372 WeakPolarHBondContact O-CB 3.32Å; W368-A372 PolarHBondContact O-N 3.32Å; M369-A372 PolarHBondContact O-N 3Å; L370-A372 VanDerWaalsContact C-N 3.31Å; L370-A372 PolarHBondContact O-N 3.27Å; A372-L379 HydrophobicContact CB-CD2 3.65Å |
| 373 | Y | 97.5 | Very high | 96.6 | Very high | 37 Ų | 37 | 20.4 Ų | 20.4 | 15% | 0.145 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -76.2 | -41 | -178.9 | -173.6 | -87.4 | 0 | 0 | 0 | 112.6 | M369 L370 T371 R475 V488 Y490 L547 | M369-Y373 PolarHBondContact O-N 2.56Å; M369-Y373 VanDerWaalsContact O-N 3.11Å; L370-Y373 PolarHBondContact O-N 3.21Å; T371-Y373 VanDerWaalsContact C-N 3.27Å; T371-Y373 PolarHBondContact O-N 2.75Å; Y373-R475 PolarHBondContact OH-NH2 2.93Å; Y373-R475 VanDerWaalsContact OH-NH2 3.09Å; Y373-V488 HydrophobicContact CD2-CG1 4.19Å; Y373-Y490 HydrophobicContact CE1-CD1 4.23Å; Y373-Y490 HydrophobicContact CE1-CG 4.19Å; Y373-Y490 WeakPolarHBondContact OH-CB 3.43Å; Y373-Y490 VanDerWaalsContact OH-CD1 3.31Å; Y373-Y490 WeakPolarHBondContact OH-CD1 3.48Å; Y373-L547 HydrophobicContact CD1-CD1 3.77Å; Y373-L547 HydrophobicContact CD2-CD1 4.14Å; Y373-L547 HydrophobicContact CE1-CD1 4.48Å; Y373-L547 HydrophobicContact CG-CD1 3.59Å |
| 374 | L | 96 | Very high | 96.6 | Very high | 74 Ų | 74 | 20.4 Ų | 20.4 | 39% | 0.387 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -89.7 | -42.4 | -174.6 | -65.1 | -179.1 | 0 | 0 | 0 | 113.8 | L370 T371 W531 | L370-L374 HydrophobicContact CD1-CD1 3.57Å; L370-L374 HydrophobicContact CD1-CG 4Å; L370-L374 HydrophobicContact CG-CD1 3.98Å; L370-L374 PolarHBondContact O-N 2.83Å; T371-L374 PolarHBondContact O-N 3.05Å; L374-W531 HydrophobicContact CD1-CD2 4.2Å; L374-W531 HydrophobicContact CD1-CE3 4.38Å; L374-W531 HydrophobicContact CD1-CZ2 4.41Å; L374-W531 HydrophobicContact CD2-CH2 3.71Å; L374-W531 HydrophobicContact CD2-CZ2 3.88Å; L374-W531 HydrophobicContact CD2-CZ3 4.22Å |
| 375 | E | 95.1 | Very high | 96.5 | Very high | 62 Ų | 62 | 21.6 Ų | 21.6 | 29% | 0.29 | 10% | 0.102 | S | C | . | . | trans | -139.9 | 66.9 | -169.2 | -62.2 | -174.1 | 115.3 | 0 | 0 | 111.4 | H343 T371 N377 R378 L379 | H343-E375 IonicContact CD2-OE2 3.23Å; H343-E375 IonicContact NE2-OE2 3.29Å; H343-E375 PolarHBondContact NE2-OE2 3.37Å; T371-E375 CarbonylContact O-C 3.49Å; T371-E375 WeakPolarHBondContact O-CA 3.29Å; T371-E375 PolarHBondContact O-N 3.32Å; E375-N377 VanDerWaalsContact C-N 3.3Å; E375-N377 PolarHBondContact O-N 3.5Å; E375-R378 HydrophobicContact CB-CB 3.94Å; E375-R378 WeakPolarHBondContact O-CB 3.12Å; E375-R378 PolarHBondContact O-N 3.31Å; E375-R378 IonicContact OE1-CZ 2.79Å; E375-R378 VanDerWaalsContact OE1-CZ 3.24Å; E375-R378 IonicContact OE1-NH1 3.43Å; E375-R378 PolarHBondContact OE1-NH1 2.84Å; E375-R378 IonicContact OE1-NH2 3.42Å; E375-R378 IonicContact OE2-CZ 3.25Å; E375-R378 IonicContact OE2-NE 2.87Å; E375-R378 IonicContact OE2-NH1 2.71Å; E375-R378 PolarHBondContact OE2-NH1 3.19Å; E375-L379 PolarHBondContact O-N 3.47Å | ||
| 376 | P | 96 | Very high | 96.4 | Very high | 14 Ų | 14 | 21 Ų | 21 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.9 | -33.4 | -173 | 22.9 | -33.2 | 0 | 0 | 0 | 113.4 | F291 I293 T299 R378 L379 L380 | F291-P376 HydrophobicContact CE2-CB 4.26Å; F291-P376 HydrophobicContact CE2-CG 4.24Å; F291-P376 HydrophobicContact CZ-CB 3.83Å; F291-P376 HydrophobicContact CZ-CG 3.96Å; I293-P376 HydrophobicContact CD1-CG 3.84Å; T299-P376 HydrophobicContact CG2-CB 4.15Å; T299-P376 HydrophobicContact CG2-CG 4.39Å; P376-R378 VanDerWaalsContact C-N 3.29Å; P376-R378 PolarHBondContact O-N 3.32Å; P376-L379 WeakPolarHBondContact O-CB 3.32Å; P376-L379 PolarHBondContact O-N 3Å; P376-L380 WeakPolarHBondContact O-CG 3.44Å; P376-L380 PolarHBondContact O-N 2.84Å |
| 377 | N | 95.1 | Very high | 96.2 | Very high | 83 Ų | 83 | 21 Ų | 21 | 44% | 0.444 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 173.6 | -70.7 | -34.7 | 0 | 0 | 0 | 112.1 | F291 E375 L380 E381 | F291-N377 WeakPolarHBondContact CE1-OD1 3.45Å; F291-N377 WeakPolarHBondContact CZ-OD1 3.35Å; E375-N377 VanDerWaalsContact C-N 3.3Å; E375-N377 PolarHBondContact O-N 3.5Å; N377-L380 PolarHBondContact O-N 3.36Å; N377-E381 PolarHBondContact O-N 2.82Å |
| 378 | R | 94.1 | Very high | 96.1 | Very high | 83 Ų | 83 | 20.9 Ų | 20.9 | 31% | 0.313 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -71.5 | -36.7 | 178.8 | -176.9 | 173 | -72.3 | 154.8 | 5.3 | 111.5 | E375 P376 E381 Y382 | E375-R378 HydrophobicContact CB-CB 3.94Å; E375-R378 WeakPolarHBondContact O-CB 3.12Å; E375-R378 PolarHBondContact O-N 3.31Å; E375-R378 IonicContact OE1-CZ 2.79Å; E375-R378 VanDerWaalsContact OE1-CZ 3.24Å; E375-R378 IonicContact OE1-NH1 3.43Å; E375-R378 PolarHBondContact OE1-NH1 2.84Å; E375-R378 IonicContact OE1-NH2 3.42Å; E375-R378 IonicContact OE2-CZ 3.25Å; E375-R378 IonicContact OE2-NE 2.87Å; E375-R378 IonicContact OE2-NH1 2.71Å; E375-R378 PolarHBondContact OE2-NH1 3.19Å; P376-R378 VanDerWaalsContact C-N 3.29Å; P376-R378 PolarHBondContact O-N 3.32Å; R378-E381 WeakPolarHBondContact O-CB 3.41Å; R378-E381 PolarHBondContact O-N 3.39Å; R378-Y382 HydrophobicContact CG-CD2 3.98Å; R378-Y382 HydrophobicContact CG-CE2 3.53Å; R378-Y382 WeakPolarHBondContact O-CD2 3.47Å; R378-Y382 PolarHBondContact O-N 3Å; R378-Y382 VanDerWaalsContact O-N 3.08Å |
| 379 | L | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.9 | -51.8 | 170.5 | 178.6 | 79.8 | 0 | 0 | 0 | 111 | I301 W368 T371 A372 E375 P376 E381 Y382 F383 I469 | I301-L379 HydrophobicContact CD1-CD1 4.35Å; I301-L379 HydrophobicContact CG1-CD2 4.16Å; W368-L379 HydrophobicContact CB-CD1 4.34Å; W368-L379 HydrophobicContact CD2-CD1 4.46Å; W368-L379 HydrophobicContact CE3-CD1 3.65Å; W368-L379 HydrophobicContact CZ3-CD1 4.37Å; T371-L379 HydrophobicContact CG2-CB 4.14Å; A372-L379 HydrophobicContact CB-CD2 3.65Å; E375-L379 PolarHBondContact O-N 3.47Å; P376-L379 WeakPolarHBondContact O-CB 3.32Å; P376-L379 PolarHBondContact O-N 3Å; L379-E381 PolarHBondContact O-N 3.43Å; L379-Y382 PolarHBondContact O-N 2.81Å; L379-F383 HydrophobicContact CD1-CD1 3.88Å; L379-F383 HydrophobicContact CD1-CE1 3.33Å; L379-F383 HydrophobicContact CD1-CZ 3.81Å; L379-F383 HydrophobicContact CG-CD1 4.07Å; L379-F383 HydrophobicContact CG-CE1 3.92Å; L379-F383 HydrophobicContact CG-CZ 4.26Å; L379-F383 WeakPolarHBondContact O-CB 3.1Å; L379-F383 VanDerWaalsContact O-CD1 3.28Å; L379-F383 WeakPolarHBondContact O-CD1 3.4Å; L379-F383 PolarHBondContact O-N 2.94Å; L379-I469 HydrophobicContact CD2-CG2 3.52Å |
| 380 | L | 96.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | -179.3 | -65.2 | -179.9 | 0 | 0 | 0 | 111.4 | P289 F291 P376 N377 F383 A384 L465 L466 A468 I469 | P289-L380 HydrophobicContact CG-CD1 3.82Å; F291-L380 HydrophobicContact CD1-CD1 4.22Å; F291-L380 HydrophobicContact CE1-CD1 3.68Å; F291-L380 HydrophobicContact CZ-CD1 4.38Å; P376-L380 WeakPolarHBondContact O-CG 3.44Å; P376-L380 PolarHBondContact O-N 2.84Å; N377-L380 PolarHBondContact O-N 3.36Å; L380-F383 PolarHBondContact O-N 3.44Å; L380-A384 WeakPolarHBondContact O-CB 3.44Å; L380-A384 PolarHBondContact O-N 2.93Å; L380-L465 HydrophobicContact CB-CD2 4.21Å; L380-L465 HydrophobicContact CB-CG 4.26Å; L380-L465 HydrophobicContact CD2-CD1 4.42Å; L380-L465 HydrophobicContact CD2-CG 4.18Å; L380-L465 WeakPolarHBondContact CD2-O 3.47Å; L380-L466 HydrophobicContact CD1-CD2 4.07Å; L380-A468 HydrophobicContact CD2-CB 3.89Å; L380-I469 HydrophobicContact CD1-CD1 4.18Å; L380-I469 HydrophobicContact CD2-CD1 4.41Å; L380-I469 HydrophobicContact CD2-CG1 4.35Å; L380-I469 HydrophobicContact CD2-CG2 4.09Å |
| 381 | E | 95 | Very high | 95.1 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 6% | 0.061 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59 | -53.5 | 173.2 | 170.4 | 164.3 | -146.6 | 0 | 0 | 112.7 | I287 Y288 Q340 N377 R378 L379 F383 A384 Y385 | I287-E381 VanDerWaalsContact CG2-CA 3.41Å; I287-E381 HydrophobicContact CG2-CB 3.37Å; I287-E381 HydrophobicContact CG2-CG 3.43Å; I287-E381 VanDerWaalsContact CG2-CG 3.43Å; Y288-E381 HydrophobicContact CE1-CB 4.07Å; Y288-E381 PolarHBondContact OH-OE1 3.06Å; Y288-E381 PolarHBondContact OH-OE2 2.97Å; Q340-E381 VanDerWaalsContact CD-OE1 3.22Å; Q340-E381 PolarHBondContact NE2-OE1 3Å; Q340-E381 PolarHBondContact OE1-OE1 3.39Å; Q340-E381 VanDerWaalsContact OE1-OE1 3.04Å; N377-E381 PolarHBondContact O-N 2.82Å; R378-E381 WeakPolarHBondContact O-CB 3.41Å; R378-E381 PolarHBondContact O-N 3.39Å; L379-E381 PolarHBondContact O-N 3.43Å; E381-F383 VanDerWaalsContact C-N 3.29Å; E381-F383 PolarHBondContact O-N 3.24Å; E381-A384 WeakPolarHBondContact O-CB 3.32Å; E381-A384 PolarHBondContact O-N 3.27Å; E381-Y385 HydrophobicContact CG-CD2 3.99Å; E381-Y385 HydrophobicContact CG-CE2 3.87Å; E381-Y385 VanDerWaalsContact O-CD2 3.28Å; E381-Y385 WeakPolarHBondContact O-CD2 3.28Å; E381-Y385 PolarHBondContact O-N 2.81Å |
| 382 | Y | 95.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.6 | -72.4 | -62.6 | 0 | 0 | 0 | 111.9 | Q340 V344 W368 R378 L379 A384 Y385 L386 | Q340-Y382 PolarHBondContact O-OH 3.04Å; V344-Y382 HydrophobicContact CG2-CD1 4.48Å; V344-Y382 HydrophobicContact CG2-CD2 4.33Å; V344-Y382 HydrophobicContact CG2-CE1 3.85Å; V344-Y382 HydrophobicContact CG2-CE2 3.62Å; V344-Y382 WeakPolarHBondContact CG2-OH 3.21Å; W368-Y382 HydrophobicContact CH2-CD2 4.03Å; W368-Y382 AromaticContact CH2-CG 3.9Å; W368-Y382 HydrophobicContact CH2-CG 3.9Å; W368-Y382 AromaticContact CZ3-CD2 3.7Å; W368-Y382 HydrophobicContact CZ3-CD2 3.7Å; W368-Y382 AromaticContact CZ3-CG 3.95Å; W368-Y382 HydrophobicContact CZ3-CG 3.95Å; R378-Y382 HydrophobicContact CG-CD2 3.98Å; R378-Y382 HydrophobicContact CG-CE2 3.53Å; R378-Y382 WeakPolarHBondContact O-CD2 3.47Å; R378-Y382 PolarHBondContact O-N 3Å; R378-Y382 VanDerWaalsContact O-N 3.08Å; L379-Y382 PolarHBondContact O-N 2.81Å; Y382-A384 VanDerWaalsContact C-N 3.29Å; Y382-A384 PolarHBondContact O-N 2.89Å; Y382-Y385 PolarHBondContact O-N 2.85Å; Y382-Y385 VanDerWaalsContact O-N 3.14Å; Y382-L386 VanDerWaalsContact O-CB 3.31Å; Y382-L386 WeakPolarHBondContact O-CB 3.42Å; Y382-L386 WeakPolarHBondContact O-CD1 3.46Å; Y382-L386 WeakPolarHBondContact O-CG 3.15Å; Y382-L386 PolarHBondContact O-N 3Å |
| 383 | F | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -36.9 | 178.5 | -85.2 | 39.9 | 0 | 0 | 0 | 111.5 | I301 F308 L309 W368 L379 L380 E381 G387 F388 L465 A468 | I301-F383 HydrophobicContact CD1-CZ 4.36Å; F308-F383 HydrophobicContact CD1-CD2 4.07Å; F308-F383 AromaticContact CD1-CE2 3.97Å; F308-F383 HydrophobicContact CD1-CE2 3.97Å; F308-F383 HydrophobicContact CD1-CZ 4.31Å; F308-F383 HydrophobicContact CE1-CD1 4.41Å; F308-F383 HydrophobicContact CE1-CD2 4.19Å; F308-F383 HydrophobicContact CE1-CE2 4.41Å; F308-F383 HydrophobicContact CE1-CG 4.2Å; L309-F383 HydrophobicContact CD1-CZ 4.05Å; L309-F383 HydrophobicContact CD2-CE1 3.84Å; L309-F383 HydrophobicContact CD2-CZ 3.74Å; L309-F383 HydrophobicContact CG-CE1 4.43Å; L309-F383 HydrophobicContact CG-CZ 3.83Å; W368-F383 HydrophobicContact CD2-CE1 4.43Å; W368-F383 HydrophobicContact CE3-CE1 4.26Å; L379-F383 HydrophobicContact CD1-CD1 3.88Å; L379-F383 HydrophobicContact CD1-CE1 3.33Å; L379-F383 HydrophobicContact CD1-CZ 3.81Å; L379-F383 HydrophobicContact CG-CD1 4.07Å; L379-F383 HydrophobicContact CG-CE1 3.92Å; L379-F383 HydrophobicContact CG-CZ 4.26Å; L379-F383 WeakPolarHBondContact O-CB 3.1Å; L379-F383 VanDerWaalsContact O-CD1 3.28Å; L379-F383 WeakPolarHBondContact O-CD1 3.4Å; L379-F383 PolarHBondContact O-N 2.94Å; L380-F383 PolarHBondContact O-N 3.44Å; E381-F383 VanDerWaalsContact C-N 3.29Å; E381-F383 PolarHBondContact O-N 3.24Å; F383-G387 PolarHBondContact O-N 2.98Å; F383-G387 VanDerWaalsContact O-N 3.13Å; F383-F388 HydrophobicContact CB-CB 3.8Å; F383-F388 HydrophobicContact CB-CG 4.33Å; F383-F388 HydrophobicContact CD2-CB 4.11Å; F383-F388 AromaticContact CD2-CD2 3.79Å; F383-F388 HydrophobicContact CD2-CD2 3.79Å; F383-F388 HydrophobicContact CD2-CE2 4.39Å; F383-F388 AromaticContact CD2-CG 3.86Å; F383-F388 HydrophobicContact CD2-CG 3.86Å; F383-F388 HydrophobicContact CE2-CD2 4.28Å; F383-F388 HydrophobicContact CG-CB 4.32Å; F383-F388 VanDerWaalsContact O-CB 3.23Å; F383-F388 WeakPolarHBondContact O-CB 3.44Å; F383-F388 PolarHBondContact O-N 3.38Å; F383-L465 HydrophobicContact CB-CD1 4Å; F383-A468 HydrophobicContact CD2-CB 3.59Å; F383-A468 HydrophobicContact CE2-CB 3.97Å |
| 384 | A | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R191 F286 L380 E381 Y382 G387 L465 | R191-A384 PolarHBondContact NH2-O 2.64Å; F286-A384 HydrophobicContact CD1-CB 4.14Å; F286-A384 HydrophobicContact CE1-CB 3.84Å; L380-A384 WeakPolarHBondContact O-CB 3.44Å; L380-A384 PolarHBondContact O-N 2.93Å; E381-A384 WeakPolarHBondContact O-CB 3.32Å; E381-A384 PolarHBondContact O-N 3.27Å; Y382-A384 VanDerWaalsContact C-N 3.29Å; Y382-A384 PolarHBondContact O-N 2.89Å; A384-G387 PolarHBondContact O-N 3.25Å; A384-L465 HydrophobicContact CB-CD1 4.34Å; A384-L465 HydrophobicContact CB-CD2 3.97Å |
| 385 | Y | 95.3 | Very high | 90.5 | Very high | 25 Ų | 25 | 25 Ų | 25 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.4 | -80.5 | -70.8 | 0 | 0 | 0 | 113.4 | R191 L282 I287 T335 P337 E381 Y382 G387 | R191-Y385 PolarHBondContact NE-O 3.42Å; L282-Y385 HydrophobicContact CD1-CD1 3.54Å; L282-Y385 HydrophobicContact CD1-CD2 4.44Å; L282-Y385 HydrophobicContact CD1-CE1 3.38Å; L282-Y385 HydrophobicContact CD1-CE2 4.33Å; L282-Y385 HydrophobicContact CD1-CG 4.07Å; L282-Y385 HydrophobicContact CG-CD1 4.43Å; L282-Y385 HydrophobicContact CG-CE1 3.88Å; I287-Y385 HydrophobicContact CD1-CE2 4.13Å; T335-Y385 WeakPolarHBondContact O-CD1 3.12Å; P337-Y385 HydrophobicContact CG-CD1 4.4Å; P337-Y385 HydrophobicContact CG-CE1 3.67Å; P337-Y385 HydrophobicContact CG-CE2 3.81Å; P337-Y385 WeakPolarHBondContact CG-OH 3.46Å; E381-Y385 HydrophobicContact CG-CD2 3.99Å; E381-Y385 HydrophobicContact CG-CE2 3.87Å; E381-Y385 VanDerWaalsContact O-CD2 3.28Å; E381-Y385 WeakPolarHBondContact O-CD2 3.28Å; E381-Y385 PolarHBondContact O-N 2.81Å; Y382-Y385 PolarHBondContact O-N 2.85Å; Y382-Y385 VanDerWaalsContact O-N 3.14Å; Y385-G387 VanDerWaalsContact C-N 3.25Å; Y385-G387 PolarHBondContact O-N 3.48Å |
| 386 | L | 95.4 | Very high | 88.6 | Confident | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.052 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -77.9 | -5.9 | -178.4 | -65.2 | 165.5 | 0 | 0 | 0 | 113.5 | F308 L312 L332 W368 Y382 | F308-L386 HydrophobicContact CE1-CB 4.28Å; F308-L386 HydrophobicContact CZ-CB 3.77Å; L312-L386 HydrophobicContact CD2-CB 4.29Å; L312-L386 HydrophobicContact CD2-CD1 3.82Å; L312-L386 HydrophobicContact CD2-CD2 4.18Å; L312-L386 HydrophobicContact CD2-CG 4.32Å; L332-L386 HydrophobicContact CD2-CD2 3.94Å; L332-L386 WeakPolarHBondContact O-CD2 3.23Å; W368-L386 HydrophobicContact CH2-CD1 4.31Å; W368-L386 HydrophobicContact CZ2-CD1 4.26Å; Y382-L386 VanDerWaalsContact O-CB 3.31Å; Y382-L386 WeakPolarHBondContact O-CB 3.42Å; Y382-L386 WeakPolarHBondContact O-CD1 3.46Å; Y382-L386 WeakPolarHBondContact O-CG 3.15Å; Y382-L386 PolarHBondContact O-N 3Å |
| 387 | G | 94.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 23.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | F383 A384 Y385 T389 Y390 Y391 | F383-G387 PolarHBondContact O-N 2.98Å; F383-G387 VanDerWaalsContact O-N 3.13Å; A384-G387 PolarHBondContact O-N 3.25Å; Y385-G387 VanDerWaalsContact C-N 3.25Å; Y385-G387 PolarHBondContact O-N 3.48Å; G387-T389 VanDerWaalsContact C-N 3.3Å; G387-T389 PolarHBondContact O-N 2.91Å; G387-Y390 WeakPolarHBondContact O-CB 3.39Å; G387-Y390 PolarHBondContact O-N 3.23Å; G387-Y391 PolarHBondContact O-N 3.35Å |
| 388 | F | 95.2 | Very high | 84 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.8 | -40.6 | 178.8 | -178.7 | -99.6 | 0 | 0 | 0 | 113.2 | V304 F308 F383 Y390 Y391 E392 A464 L465 A468 | V304-F388 HydrophobicContact CG1-CE2 4.16Å; V304-F388 HydrophobicContact CG1-CZ 4.03Å; F308-F388 HydrophobicContact CB-CD2 3.72Å; F308-F388 HydrophobicContact CB-CE2 3.88Å; F308-F388 HydrophobicContact CD1-CB 4.33Å; F308-F388 AromaticContact CD1-CD2 3.6Å; F308-F388 HydrophobicContact CD1-CD2 3.6Å; F308-F388 HydrophobicContact CD1-CE2 4.45Å; F308-F388 HydrophobicContact CD1-CG 4.44Å; F308-F388 HydrophobicContact CD2-CD2 4.14Å; F308-F388 HydrophobicContact CE1-CB 4.07Å; F308-F388 HydrophobicContact CE1-CD2 4.2Å; F308-F388 HydrophobicContact CE2-CB 4.43Å; F308-F388 AromaticContact CG-CD2 3.55Å; F308-F388 HydrophobicContact CG-CD2 3.55Å; F308-F388 HydrophobicContact CG-CE2 4.23Å; F308-F388 HydrophobicContact CZ-CB 4.11Å; F383-F388 HydrophobicContact CB-CB 3.8Å; F383-F388 HydrophobicContact CB-CG 4.33Å; F383-F388 HydrophobicContact CD2-CB 4.11Å; F383-F388 AromaticContact CD2-CD2 3.79Å; F383-F388 HydrophobicContact CD2-CD2 3.79Å; F383-F388 HydrophobicContact CD2-CE2 4.39Å; F383-F388 AromaticContact CD2-CG 3.86Å; F383-F388 HydrophobicContact CD2-CG 3.86Å; F383-F388 HydrophobicContact CE2-CD2 4.28Å; F383-F388 HydrophobicContact CG-CB 4.32Å; F383-F388 VanDerWaalsContact O-CB 3.23Å; F383-F388 WeakPolarHBondContact O-CB 3.44Å; F383-F388 PolarHBondContact O-N 3.38Å; F388-Y390 PolarHBondContact O-N 3.36Å; F388-Y391 HydrophobicContact CE2-CD1 4.49Å; F388-Y391 WeakPolarHBondContact O-CB 3.46Å; F388-Y391 PolarHBondContact O-N 3.08Å; F388-E392 HydrophobicContact CE1-CB 4.11Å; F388-E392 HydrophobicContact CE1-CG 4.35Å; F388-E392 HydrophobicContact CZ-CB 4.21Å; F388-E392 HydrophobicContact CZ-CG 4.38Å; F388-E392 WeakPolarHBondContact O-CB 3.33Å; F388-E392 PolarHBondContact O-N 3Å; F388-A464 VanDerWaalsContact CE1-O 3.26Å; F388-A464 WeakPolarHBondContact CE1-O 3.36Å; F388-L465 HydrophobicContact CB-CD1 4.46Å; F388-L465 HydrophobicContact CD1-CD1 4.02Å; F388-A468 HydrophobicContact CD1-CB 3.92Å; F388-A468 HydrophobicContact CE1-CB 3.51Å; F388-A468 HydrophobicContact CE2-CB 4.2Å; F388-A468 HydrophobicContact CG-CB 4.41Å; F388-A468 VanDerWaalsContact CZ-CA 3.45Å; F388-A468 HydrophobicContact CZ-CB 3.68Å |
| 389 | T | 92 | Very high | 81.5 | Confident | 4 Ų | 4 | 25.2 Ų | 25.2 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.6 | -18.6 | 179.7 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | R215 F286 G387 L465 | R215-T389 PolarHBondContact NH1-O 3.06Å; R215-T389 PolarHBondContact NH2-O 3.34Å; F286-T389 HydrophobicContact CE2-CG2 4.31Å; F286-T389 HydrophobicContact CZ-CG2 4.21Å; F286-T389 WeakPolarHBondContact CZ-OG1 3.47Å; G387-T389 VanDerWaalsContact C-N 3.3Å; G387-T389 PolarHBondContact O-N 2.91Å; T389-L465 HydrophobicContact CG2-CB 3.83Å; T389-L465 HydrophobicContact CG2-CD1 4.16Å; T389-L465 HydrophobicContact CG2-CG 4.49Å |
| 390 | Y | 91.2 | Very high | 78.7 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80.5 | -51.2 | 169.2 | -176 | -96.8 | 0 | 0 | 0 | 109.4 | I195 T198 R215 F274 G387 F388 E392 S393 S395 | I195-Y390 HydrophobicContact CG2-CD1 3.81Å; I195-Y390 HydrophobicContact CG2-CG 3.75Å; T198-Y390 HydrophobicContact CG2-CE1 4.46Å; R215-Y390 HydrophobicContact CB-CE2 4.01Å; R215-Y390 HydrophobicContact CG-CD2 3.89Å; R215-Y390 HydrophobicContact CG-CE2 3.87Å; F274-Y390 AromaticContact CE1-CD2 3.89Å; F274-Y390 HydrophobicContact CE1-CD2 3.89Å; F274-Y390 HydrophobicContact CE1-CG 4.36Å; F274-Y390 AromaticContact CZ-CD2 3.81Å; F274-Y390 HydrophobicContact CZ-CD2 3.81Å; F274-Y390 HydrophobicContact CZ-CE2 4.07Å; G387-Y390 WeakPolarHBondContact O-CB 3.39Å; G387-Y390 PolarHBondContact O-N 3.23Å; F388-Y390 PolarHBondContact O-N 3.36Å; Y390-E392 PolarHBondContact O-N 3.03Å; Y390-S393 PolarHBondContact O-N 3.42Å; Y390-S393 PolarHBondContact O-OG 3.49Å; Y390-S395 WeakPolarHBondContact CD1-OG 3.21Å; Y390-S395 WeakPolarHBondContact CE1-OG 3.46Å; Y390-S395 PolarHBondContact O-OG 2.9Å |
| 391 | Y | 90.5 | Very high | 75.5 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -49.8 | -53.9 | 175.8 | 179 | -88.9 | 0 | 0 | 0 | 113 | V304 Q307 F308 A311 G387 F388 S393 G394 W397 | V304-Y391 HydrophobicContact CG1-CD1 4.41Å; V304-Y391 HydrophobicContact CG1-CE1 4.13Å; Q307-Y391 HydrophobicContact CB-CE1 4.46Å; Q307-Y391 VanDerWaalsContact CB-OH 3.29Å; Q307-Y391 WeakPolarHBondContact CB-OH 3.22Å; F308-Y391 HydrophobicContact CB-CD1 3.76Å; F308-Y391 HydrophobicContact CB-CD2 4.43Å; F308-Y391 HydrophobicContact CB-CE1 3.84Å; F308-Y391 HydrophobicContact CB-CG 4.11Å; F308-Y391 HydrophobicContact CD2-CD1 4.09Å; F308-Y391 AromaticContact CD2-CD2 3.78Å; F308-Y391 HydrophobicContact CD2-CD2 3.78Å; F308-Y391 AromaticContact CD2-CG 3.57Å; F308-Y391 HydrophobicContact CD2-CG 3.57Å; F308-Y391 HydrophobicContact CE2-CG 4.47Å; F308-Y391 HydrophobicContact CG-CD1 4.35Å; F308-Y391 HydrophobicContact CG-CG 4.28Å; A311-Y391 HydrophobicContact CB-CE2 4.06Å; G387-Y391 PolarHBondContact O-N 3.35Å; F388-Y391 HydrophobicContact CE2-CD1 4.49Å; F388-Y391 WeakPolarHBondContact O-CB 3.46Å; F388-Y391 PolarHBondContact O-N 3.08Å; Y391-S393 PolarHBondContact O-N 3.34Å; Y391-S393 VanDerWaalsContact O-N 3.14Å; Y391-G394 PolarHBondContact O-N 2.99Å; Y391-G394 VanDerWaalsContact O-N 3.1Å; Y391-W397 HydrophobicContact CD2-CB 4.19Å; Y391-W397 AromaticContact CD2-CD1 3.49Å; Y391-W397 VanDerWaalsContact CD2-CD1 3.49Å; Y391-W397 AromaticContact CD2-CD2 3.38Å; Y391-W397 HydrophobicContact CD2-CD2 3.38Å; Y391-W397 AromaticContact CD2-CE2 3.43Å; Y391-W397 VanDerWaalsContact CD2-CE2 3.43Å; Y391-W397 AromaticContact CD2-CE3 3.92Å; Y391-W397 HydrophobicContact CD2-CE3 3.92Å; Y391-W397 AromaticContact CD2-CG 3.47Å; Y391-W397 HydrophobicContact CD2-CG 3.47Å; Y391-W397 VanDerWaalsContact CD2-CG 3.47Å; Y391-W397 HydrophobicContact CD2-CH2 4.32Å; Y391-W397 AromaticContact CD2-CZ2 3.92Å; Y391-W397 HydrophobicContact CD2-CZ2 3.92Å; Y391-W397 HydrophobicContact CD2-CZ3 4.34Å; Y391-W397 AromaticContact CD2-NE1 3.59Å; Y391-W397 HydrophobicContact CE2-CB 3.89Å; Y391-W397 AromaticContact CE2-CD2 3.71Å; Y391-W397 HydrophobicContact CE2-CD2 3.71Å; Y391-W397 AromaticContact CE2-CE3 3.97Å; Y391-W397 HydrophobicContact CE2-CE3 3.97Å; Y391-W397 AromaticContact CE2-CG 3.65Å; Y391-W397 HydrophobicContact CE2-CG 3.65Å |
| 392 | E | 86.2 | Confident | 72.4 | Confident | 46 Ų | 46 | 39.4 Ų | 39.4 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.3 | -173.8 | -173.5 | -84.7 | 167.6 | 0 | 0 | 112.9 | V304 F388 Y390 G394 A464 R467 | V304-E392 HydrophobicContact CG1-CG 4.27Å; F388-E392 HydrophobicContact CE1-CB 4.11Å; F388-E392 HydrophobicContact CE1-CG 4.35Å; F388-E392 HydrophobicContact CZ-CB 4.21Å; F388-E392 HydrophobicContact CZ-CG 4.38Å; F388-E392 WeakPolarHBondContact O-CB 3.33Å; F388-E392 PolarHBondContact O-N 3Å; Y390-E392 PolarHBondContact O-N 3.03Å; E392-G394 PolarHBondContact O-N 3.05Å; E392-G394 VanDerWaalsContact O-N 3.12Å; E392-A464 VanDerWaalsContact OE2-CB 3.32Å; E392-A464 WeakPolarHBondContact OE2-CB 3.46Å; E392-R467 WeakPolarHBondContact OE1-CD 3.43Å; E392-R467 IonicContact OE1-CZ 3.57Å; E392-R467 IonicContact OE1-NE 3.9Å; E392-R467 IonicContact OE1-NH1 2.79Å; E392-R467 PolarHBondContact OE1-NH1 3.47Å; E392-R467 IonicContact OE2-NH1 3.25Å |
| 393 | S | 79.5 | Confident | 69.2 | Low | 57 Ų | 57 | 41.4 Ų | 41.4 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 2.7 | 179.2 | 67.4 | 0 | 0 | 0 | 0 | 115.4 | R215 Y390 Y391 | R215-S393 PolarHBondContact NH1-OG 2.81Å; Y390-S393 PolarHBondContact O-N 3.42Å; Y390-S393 PolarHBondContact O-OG 3.49Å; Y391-S393 PolarHBondContact O-N 3.34Å; Y391-S393 VanDerWaalsContact O-N 3.14Å |
| 394 | G | 70.4 | Confident | 66 | Low | 67 Ų | 67 | 48.4 Ų | 48.4 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 22.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y391 E392 L396 | Y391-G394 PolarHBondContact O-N 2.99Å; Y391-G394 VanDerWaalsContact O-N 3.1Å; E392-G394 PolarHBondContact O-N 3.05Å; E392-G394 VanDerWaalsContact O-N 3.12Å; G394-L396 PolarHBondContact O-N 3.21Å |
| 395 | S | 56.5 | Low | 62.8 | Low | 15 Ų | 15 | 56.5 Ų | 56.5 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | trans | -86.6 | 100.2 | -177.5 | 36.2 | 0 | 0 | 0 | 0 | 111.7 | Y390 W397 | Y390-S395 WeakPolarHBondContact CD1-OG 3.21Å; Y390-S395 WeakPolarHBondContact CE1-OG 3.46Å; Y390-S395 PolarHBondContact O-OG 2.9Å; S395-W397 VanDerWaalsContact C-N 3.25Å; S395-W397 PolarHBondContact O-N 2.89Å | ||
| 396 | L | 55.5 | Low | 59.5 | Low | 35 Ų | 35 | 61 Ų | 61 | 18% | 0.183 | 36% | 0.358 | C | S | . | . | trans | 63.3 | -11.1 | 150.8 | -118.3 | 91.7 | 0 | 0 | 0 | 121.8 | R207 E208 A211 G394 | R207-L396 HydrophobicContact CB-CD2 3.83Å; R207-L396 HydrophobicContact CG-CD1 3.71Å; R207-L396 HydrophobicContact CG-CD2 3.55Å; R207-L396 HydrophobicContact CG-CG 3.94Å; E208-L396 HydrophobicContact CB-CD2 4.48Å; E208-L396 HydrophobicContact CG-CD2 3.67Å; A211-L396 HydrophobicContact CB-CB 4.47Å; A211-L396 HydrophobicContact CB-CD1 3.78Å; G394-L396 PolarHBondContact O-N 3.21Å | ||
| 397 | W | 49.2 | Very low | 56.2 | Low | 26 Ų | 26 | 68.3 Ų | 68.3 | 10% | 0.098 | 39% | 0.392 | C | S | . | . | trans | -53.4 | 128.8 | 180 | -74.8 | 73.9 | 0 | 0 | 0 | 108.8 | T198 F308 A311 K315 Y391 S395 S399 | T198-W397 HydrophobicContact CG2-CG 4.38Å; F308-W397 HydrophobicContact CD2-CH2 4.21Å; F308-W397 HydrophobicContact CD2-CZ2 4.41Å; F308-W397 AromaticContact CE2-CH2 3.99Å; F308-W397 HydrophobicContact CE2-CH2 3.99Å; F308-W397 HydrophobicContact CE2-CZ2 4.14Å; A311-W397 HydrophobicContact CB-CD2 4.43Å; A311-W397 HydrophobicContact CB-CE3 3.33Å; A311-W397 HydrophobicContact CB-CZ3 3.45Å; A311-W397 VanDerWaalsContact CB-CZ3 3.45Å; K315-W397 HydrophobicContact CD-CH2 4.47Å; Y391-W397 HydrophobicContact CD2-CB 4.19Å; Y391-W397 AromaticContact CD2-CD1 3.49Å; Y391-W397 VanDerWaalsContact CD2-CD1 3.49Å; Y391-W397 AromaticContact CD2-CD2 3.38Å; Y391-W397 HydrophobicContact CD2-CD2 3.38Å; Y391-W397 AromaticContact CD2-CE2 3.43Å; Y391-W397 VanDerWaalsContact CD2-CE2 3.43Å; Y391-W397 AromaticContact CD2-CE3 3.92Å; Y391-W397 HydrophobicContact CD2-CE3 3.92Å; Y391-W397 AromaticContact CD2-CG 3.47Å; Y391-W397 HydrophobicContact CD2-CG 3.47Å; Y391-W397 VanDerWaalsContact CD2-CG 3.47Å; Y391-W397 HydrophobicContact CD2-CH2 4.32Å; Y391-W397 AromaticContact CD2-CZ2 3.92Å; Y391-W397 HydrophobicContact CD2-CZ2 3.92Å; Y391-W397 HydrophobicContact CD2-CZ3 4.34Å; Y391-W397 AromaticContact CD2-NE1 3.59Å; Y391-W397 HydrophobicContact CE2-CB 3.89Å; Y391-W397 AromaticContact CE2-CD2 3.71Å; Y391-W397 HydrophobicContact CE2-CD2 3.71Å; Y391-W397 AromaticContact CE2-CE3 3.97Å; Y391-W397 HydrophobicContact CE2-CE3 3.97Å; Y391-W397 AromaticContact CE2-CG 3.65Å; Y391-W397 HydrophobicContact CE2-CG 3.65Å; S395-W397 VanDerWaalsContact C-N 3.25Å; S395-W397 PolarHBondContact O-N 2.89Å; W397-S399 PolarHBondContact O-N 3.34Å | ||
| 398 | P | 45.1 | Very low | 53 | Low | 76 Ų | 76 | 78.7 Ų | 78.7 | 49% | 0.494 | 43% | 0.433 | S | S | . | . | trans | -49.8 | 111.2 | 174.1 | -23.7 | 31.1 | 0 | 0 | 0 | 106.5 | I400 | P398-I400 PolarHBondContact O-N 3.18Š| ||
| 399 | S | 40.8 | Very low | 49.9 | Very low | 111 Ų | 111 | 85.8 Ų | 85.8 | 78% | 0.776 | 47% | 0.471 | S | S | * | . | trans | -56.6 | 104.3 | 161.2 | -64.1 | 0 | 0 | 0 | 0 | 102.2 | W397 V401 | W397-S399 PolarHBondContact O-N 3.34Å; S399-V401 PolarHBondContact O-N 3.47Å | ||
| 400 | I | 37.1 | Very low | 46.7 | Very low | 75 Ų | 75 | 91.2 Ų | 91.2 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | trans | -46.8 | 114.9 | 174.7 | -66.7 | 156.6 | 0 | 0 | 0 | 102.8 | N314 P398 N402 | N314-I400 WeakPolarHBondContact ND2-CD1 3.36Å; P398-I400 PolarHBondContact O-N 3.18Å; I400-N402 PolarHBondContact O-N 2.76Å | ||
| 401 | V | 29.6 | Very low | 43.6 | Very low | 136 Ų | 136 | 98 Ų | 98 | 82% | 0.824 | 55% | 0.55 | S | S | * | * | trans | -52.4 | 103.2 | 167.7 | 172.8 | 0 | 0 | 0 | 0 | 102.2 | S399 G403 | S399-V401 PolarHBondContact O-N 3.47Å; V401-G403 PolarHBondContact O-N 3.01Å | ||
| 402 | N | 29.2 | Very low | 40.4 | Very low | 101 Ų | 101 | 100 Ų | 100 | 54% | 0.54 | 57% | 0.574 | S | S | . | * | trans | -61.2 | 88.1 | 174.7 | -80.8 | -30.5 | 0 | 0 | 0 | 103.8 | I400 D404 | I400-N402 PolarHBondContact O-N 2.76Å; N402-D404 PolarHBondContact O-N 3.45Å | ||
| 403 | G | 28.1 | Very low | 37.5 | Very low | 48 Ų | 48 | 106.1 Ų | 106.1 | 50% | 0.495 | 61% | 0.607 | S | S | . | * | trans | -64 | 88.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 105 | V401 Y405 | V401-G403 PolarHBondContact O-N 3.01Å; G403-Y405 WeakPolarHBondContact O-CD2 3.26Å; G403-Y405 PolarHBondContact O-N 2.74Å | ||
| 404 | D | 28.9 | Very low | 34.9 | Very low | 146 Ų | 146 | 109.6 Ų | 109.6 | 78% | 0.781 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 45 | 29.6 | 166.7 | -66.6 | -28.5 | 0 | 0 | 0 | 118.1 | N402 | N402-D404 PolarHBondContact O-N 3.45Š|
| 405 | Y | 29.3 | Very low | 32.8 | Very low | 170 Ų | 170 | 109.9 Ų | 109.9 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -2.4 | 173.9 | -86.6 | -78.2 | 0 | 0 | 0 | 114.7 | G403 Q759 | G403-Y405 WeakPolarHBondContact O-CD2 3.26Å; G403-Y405 PolarHBondContact O-N 2.74Å; Y405-Q759 PolarHBondContact OH-OE1 3.07Å |
| 406 | N | 26 | Very low | 31.3 | Very low | 119 Ų | 119 | 117.1 Ų | 117.1 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | 16.9 | 179.3 | -82.9 | -11.4 | 0 | 0 | 0 | 115.1 | Y408 | N406-Y408 PolarHBondContact O-N 2.91Š|
| 407 | Q | 26.3 | Very low | 30 | Very low | 164 Ų | 164 | 124.9 Ų | 124.9 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | trans | -80.6 | 44.8 | 171.7 | -152.9 | 175.4 | 48.7 | 0 | 0 | 112.6 | ||||
| 408 | Y | 27.2 | Very low | 28.8 | Very low | 220 Ų | 220 | 132.4 Ų | 132.4 | 86% | 0.863 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -150.1 | 55.5 | 163.8 | -71.4 | -74.2 | 0 | 0 | 0 | 109.9 | N406 | N406-Y408 PolarHBondContact O-N 2.91Š|
| 409 | D | 29.4 | Very low | 27.9 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -165.5 | 72.3 | 159.2 | -94.9 | -25.5 | 0 | 0 | 0 | 110 | ||
| 410 | S | 23.7 | Very low | 27 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -179.8 | 58.5 | 153.8 | 47.4 | 0 | 0 | 0 | 0 | 109.7 | A412 | S410-A412 VanDerWaalsContact C-N 3.26Å; S410-A412 PolarHBondContact O-N 3.04Å | ||
| 411 | V | 26.3 | Very low | 26.6 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -71.3 | 99.2 | 158.8 | 179.9 | 0 | 0 | 0 | 0 | 105.7 | L413 | V411-L413 PolarHBondContact O-N 3.08Š| ||
| 412 | A | 24.8 | Very low | 26.2 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -44.5 | 123.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | S410 T414 | S410-A412 VanDerWaalsContact C-N 3.26Å; S410-A412 PolarHBondContact O-N 3.04Å; A412-T414 VanDerWaalsContact C-N 3.29Å; A412-T414 PolarHBondContact O-N 3.14Å | ||
| 413 | L | 25.5 | Very low | 26 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -56.9 | 90.2 | 173.2 | -72.9 | 155.4 | 0 | 0 | 0 | 109 | V411 G415 | V411-L413 PolarHBondContact O-N 3.08Å; L413-G415 PolarHBondContact O-N 3.05Å | ||
| 414 | T | 24.5 | Very low | 26 | Very low | 130 Ų | 130 | 146 Ų | 146 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -68.9 | 118.4 | 168.6 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | A412 N416 | A412-T414 VanDerWaalsContact C-N 3.29Å; A412-T414 PolarHBondContact O-N 3.14Å; T414-N416 PolarHBondContact O-N 3.4Å | ||
| 415 | G | 25.4 | Very low | 25.7 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -52.6 | 129.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L413 | L413-G415 PolarHBondContact O-N 3.05Š| ||
| 416 | N | 26.3 | Very low | 25.6 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -110.9 | 132.1 | 155.3 | -102.2 | -16.3 | 0 | 0 | 0 | 109.2 | T414 | T414-N416 PolarHBondContact O-N 3.4Š| ||
| 417 | K | 27.5 | Very low | 25.7 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -45.3 | 130 | -167.4 | -76.4 | 165.4 | 170.8 | 174.3 | 0 | 113.4 | T419 | K417-T419 PolarHBondContact O-N 3.06Š| ||
| 418 | Q | 23.5 | Very low | 25.7 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -48.4 | 114.3 | 167.4 | -70 | 165.7 | -15.1 | 0 | 0 | 111 | ||||
| 419 | T | 27.2 | Very low | 25.7 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -106 | 107.1 | 151.8 | 51.9 | 0 | 0 | 0 | 0 | 107.1 | K417 T421 | K417-T419 PolarHBondContact O-N 3.06Å; T419-T421 PolarHBondContact O-N 2.75Å | ||
| 420 | N | 21.8 | Very low | 25.7 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -55.9 | 111.2 | 179.2 | -78.3 | -24.3 | 0 | 0 | 0 | 111.6 | ||||
| 421 | T | 27.3 | Very low | 26.1 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -135.7 | 102.9 | 153.3 | 51.4 | 0 | 0 | 0 | 0 | 108.8 | T419 M423 | T419-T421 PolarHBondContact O-N 2.75Å; T421-M423 PolarHBondContact O-N 3.31Å | ||
| 422 | N | 22.1 | Very low | 26.1 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -61 | 113.7 | 173.1 | -70.7 | -26.3 | 0 | 0 | 0 | 110.6 | ||||
| 423 | M | 24.9 | Very low | 26.4 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | -147.5 | 103.5 | 149.1 | -93.2 | -167.4 | 77.5 | 0 | 0 | 110 | T421 | T421-M423 PolarHBondContact O-N 3.31Š| ||
| 424 | S | 28 | Very low | 26.3 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | 17.1 | 113.1 | 150.6 | 55 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 425 | S | 23.2 | Very low | 26.4 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -40.4 | 138.3 | 153.6 | 51.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 426 | L | 27.8 | Very low | 26.4 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -166.7 | 96.4 | 149.5 | -94.3 | 147.9 | 0 | 0 | 0 | 110 | ||||
| 427 | T | 27.2 | Very low | 26.1 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 74.8 | 120.1 | 114.9 | 57.9 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 428 | S | 25.5 | Very low | 26.1 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -58.9 | 158.2 | 175 | -42.4 | 0 | 0 | 0 | 0 | 113.7 | S430 | S428-S430 PolarHBondContact O-N 3.29Å; S428-S430 VanDerWaalsContact O-N 3.08Å | ||
| 429 | P | 28.1 | Very low | 26.1 | Very low | 108 Ų | 108 | 132 Ų | 132 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -69 | 109.3 | -167.6 | 27.7 | -31.8 | 0 | 0 | 0 | 111.4 | ||||
| 430 | S | 29.3 | Very low | 26 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -88.4 | 125.2 | 176.1 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | S428 I432 | S428-S430 PolarHBondContact O-N 3.29Å; S428-S430 VanDerWaalsContact O-N 3.08Å; S430-I432 PolarHBondContact O-N 3.21Å | ||
| 431 | V | 32 | Very low | 26 | Very low | 103 Ų | 103 | 128 Ų | 128 | 62% | 0.624 | 78% | 0.778 | S | S | * | * | trans | -59.5 | 121.6 | 161.7 | 177.6 | 0 | 0 | 0 | 0 | 107.6 | H433 | V431-H433 PolarHBondContact O-CD2 3.14Å; V431-H433 VanDerWaalsContact O-CD2 3.22Å; V431-H433 PolarHBondContact O-N 3.45Å | ||
| 432 | I | 26.8 | Very low | 26 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | trans | -74 | 101.5 | -177.9 | -62.2 | 172.3 | 0 | 0 | 0 | 108.2 | S430 | S430-I432 PolarHBondContact O-N 3.21Š| ||
| 433 | H | 31.1 | Very low | 25.9 | Very low | 124 Ų | 124 | 130 Ų | 130 | 57% | 0.574 | 78% | 0.777 | S | S | * | * | trans | -89.3 | 125.9 | 172.5 | -70.2 | -80.4 | 0 | 0 | 0 | 110.2 | V431 T435 | V431-H433 PolarHBondContact O-CD2 3.14Å; V431-H433 VanDerWaalsContact O-CD2 3.22Å; V431-H433 PolarHBondContact O-N 3.45Å; H433-T435 PolarHBondContact O-N 3.17Å; H433-T435 VanDerWaalsContact O-N 3.12Å | ||
| 434 | K | 23.6 | Very low | 25.7 | Very low | 213 Ų | 213 | 131 Ų | 131 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -71.8 | 97.7 | 165.7 | -79.1 | -177.5 | 175.7 | 179.7 | 0 | 108.4 | ||||
| 435 | T | 25.3 | Very low | 25.5 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -90.8 | 112.2 | 171.2 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | H433 G437 | H433-T435 PolarHBondContact O-N 3.17Å; H433-T435 VanDerWaalsContact O-N 3.12Å; T435-G437 PolarHBondContact O-N 3.17Å | ||
| 436 | S | 25.8 | Very low | 25.6 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -70.5 | 117.9 | 163.8 | 47.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 437 | G | 21.3 | Very low | 25.3 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -83 | 137.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T435 | T435-G437 PolarHBondContact O-N 3.17Š| ||
| 438 | L | 26.7 | Very low | 25.2 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | trans | -145 | 130.8 | 153.4 | -81.8 | 174.4 | 0 | 0 | 0 | 108.7 | ||||
| 439 | T | 23.5 | Very low | 25.2 | Very low | 145 Ų | 145 | 138 Ų | 138 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -98.8 | 143.6 | -173.6 | 48.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 440 | G | 24.4 | Very low | 25.1 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | 129.3 | 98.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 441 | S | 22.9 | Very low | 25.1 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 40.9 | 114.4 | 130.1 | -155.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 442 | Q | 26 | Very low | 24.8 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | 172.2 | 136.6 | 101.1 | -85.4 | -159.9 | 5.9 | 0 | 0 | 112.9 | |||||
| 443 | L | 20.4 | Very low | 25 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -55.2 | 156.2 | 177.4 | -73.8 | 154.1 | 0 | 0 | 0 | 118 | ||||
| 444 | F | 21.4 | Very low | 25.5 | Very low | 193 Ų | 193 | 137 Ų | 137 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | 70.7 | 101.1 | 155.1 | -63.6 | -65.8 | 0 | 0 | 0 | 120.1 | ||||
| 445 | A | 23.8 | Very low | 26.1 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | -167.4 | 121.3 | 125.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | H447 | A445-H447 PolarHBondContact O-N 2.82Š| |||
| 446 | S | 24.5 | Very low | 26.9 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -66.8 | 118.2 | 169 | 47.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 447 | H | 21.3 | Very low | 28.1 | Very low | 171 Ų | 171 | 122.5 Ų | 122.5 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -176.8 | 117.5 | 145.7 | -94.8 | -62.8 | 0 | 0 | 0 | 109.6 | A445 S449 | A445-H447 PolarHBondContact O-N 2.82Å; H447-S449 PolarHBondContact O-N 2.79Å |
| 448 | R | 25.4 | Very low | 29.7 | Very low | 254 Ų | 254 | 120 Ų | 120 | 96% | 0.958 | 68% | 0.681 | S | S | * | * | trans | 26.4 | 82.3 | 160.2 | -74 | -177.3 | 169.4 | -177.3 | -3.1 | 116.5 | ||||
| 449 | S | 24.9 | Very low | 31.3 | Very low | 100 Ų | 100 | 115 Ų | 115 | 70% | 0.699 | 66% | 0.658 | S | S | * | * | trans | -150 | 72 | 168.9 | 53 | 0 | 0 | 0 | 0 | 111.1 | H447 | H447-S449 PolarHBondContact O-N 2.79Š| ||
| 450 | D | 27.6 | Very low | 33.7 | Very low | 129 Ų | 129 | 112 Ų | 112 | 69% | 0.69 | 64% | 0.639 | S | S | * | * | trans | -120.5 | 22.7 | 177.2 | -105.9 | -32 | 0 | 0 | 0 | 113.7 | K453 | D450-K453 IonicContact OD1-NZ 2.68Š| ||
| 451 | L | 28.5 | Very low | 36.2 | Very low | 146 Ų | 146 | 108.4 Ų | 108.4 | 76% | 0.764 | 60% | 0.602 | S | S | * | * | trans | -106.3 | 8.5 | 176.2 | -74.5 | 166.7 | 0 | 0 | 0 | 114.6 | K453 | L451-K453 PolarHBondContact O-N 3.04Š| ||
| 452 | S | 24.8 | Very low | 39 | Very low | 92 Ų | 92 | 104.8 Ų | 104.8 | 64% | 0.643 | 57% | 0.574 | S | S | * | * | trans | -70.5 | 11.9 | 175.8 | 61.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 453 | K | 32.3 | Very low | 41.9 | Very low | 137 Ų | 137 | 100.1 Ų | 100.1 | 60% | 0.596 | 55% | 0.553 | S | S | * | * | trans | -100.3 | 20.8 | -167.6 | -69.7 | -179.8 | -178.5 | 161.1 | 0 | 115.6 | D450 L451 G456 S457 | D450-K453 IonicContact OD1-NZ 2.68Å; L451-K453 PolarHBondContact O-N 3.04Å; K453-G456 CarbonylContact O-C 3.52Å; K453-G456 VanDerWaalsContact O-C 3.24Å; K453-G456 WeakPolarHBondContact O-CA 3.31Å; K453-S457 WeakPolarHBondContact O-CA 3.29Å; K453-S457 WeakPolarHBondContact O-CB 3.29Å; K453-S457 PolarHBondContact O-N 2.59Å | ||
| 454 | T | 40.3 | Very low | 45.2 | Very low | 71 Ų | 71 | 93.3 Ų | 93.3 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -89.6 | -39.5 | -178.2 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | G456 S457 M458 | T454-G456 PolarHBondContact O-N 3.37Å; T454-S457 WeakPolarHBondContact O-CB 3.41Å; T454-S457 PolarHBondContact O-N 3.4Å; T454-M458 PolarHBondContact O-N 3.25Å |
| 455 | S | 37.3 | Very low | 48.6 | Very low | 104 Ų | 104 | 84.1 Ų | 84.1 | 73% | 0.727 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.6 | -35.5 | 160.2 | -72.9 | 0 | 0 | 0 | 0 | 109.3 | S457 T459 | S455-S457 VanDerWaalsContact C-N 3.35Å; S455-S457 PolarHBondContact O-N 3.34Å; S455-T459 WeakPolarHBondContact O-CG2 3.31Å; S455-T459 PolarHBondContact O-N 3.04Å; S455-T459 VanDerWaalsContact O-N 3.17Å; S455-T459 PolarHBondContact O-OG1 3.23Å; S455-T459 VanDerWaalsContact O-OG1 3.1Å |
| 456 | G | 42 | Very low | 52 | Low | 25 Ų | 25 | 81.6 Ų | 81.6 | 26% | 0.258 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58 | -35.2 | 165 | 0 | 0 | 0 | 0 | 0 | 114.7 | K453 T454 T459 V460 | K453-G456 CarbonylContact O-C 3.52Å; K453-G456 VanDerWaalsContact O-C 3.24Å; K453-G456 WeakPolarHBondContact O-CA 3.31Å; T454-G456 PolarHBondContact O-N 3.37Å; G456-T459 VanDerWaalsContact CA-OG1 3.23Å; G456-T459 WeakPolarHBondContact CA-OG1 3.35Å; G456-T459 PolarHBondContact O-OG1 3.38Å; G456-V460 WeakPolarHBondContact O-CA 3.44Å; G456-V460 WeakPolarHBondContact O-CB 3.35Å; G456-V460 WeakPolarHBondContact O-CG2 3.09Å; G456-V460 PolarHBondContact O-N 2.88Å |
| 457 | S | 50.5 | Low | 55.4 | Low | 26 Ų | 26 | 82.8 Ų | 82.8 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -76.6 | -33 | -173.1 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | R273 K453 T454 S455 A461 | R273-S457 PolarHBondContact NH1-OG 2.81Å; R273-S457 VanDerWaalsContact NH1-OG 3.07Å; K453-S457 WeakPolarHBondContact O-CA 3.29Å; K453-S457 WeakPolarHBondContact O-CB 3.29Å; K453-S457 PolarHBondContact O-N 2.59Å; T454-S457 WeakPolarHBondContact O-CB 3.41Å; T454-S457 PolarHBondContact O-N 3.4Å; S455-S457 VanDerWaalsContact C-N 3.35Å; S455-S457 PolarHBondContact O-N 3.34Å; S457-A461 VanDerWaalsContact O-CB 3.3Å; S457-A461 WeakPolarHBondContact O-CB 3.49Å; S457-A461 PolarHBondContact O-N 3.23Å |
| 458 | M | 54.7 | Low | 59 | Low | 17 Ų | 17 | 74.6 Ų | 74.6 | 8% | 0.084 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -78.7 | -39.5 | 172.6 | -74.5 | -65.1 | 95.4 | 0 | 0 | 111.3 | Q3 F286 T454 V460 A461 N462 | Q3-M458 HydrophobicContact CG-CG 4.15Å; Q3-M458 HydrophobicContact CG-SD 4.38Å; Q3-M458 VanDerWaalsContact NE2-CE 3.29Å; Q3-M458 PolarHBondContact NE2-SD 3.2Å; Q3-M458 VanDerWaalsContact NE2-SD 3.43Å; F286-M458 HydrophobicContact CB-SD 4.48Å; F286-M458 HydrophobicContact CD2-CE 4.12Å; F286-M458 HydrophobicContact CD2-SD 4.27Å; T454-M458 PolarHBondContact O-N 3.25Å; M458-V460 VanDerWaalsContact C-N 3.26Å; M458-V460 PolarHBondContact O-N 3.39Å; M458-A461 HydrophobicContact CE-CB 3.89Å; M458-A461 PolarHBondContact O-N 3.25Å; M458-N462 VanDerWaalsContact O-CB 3.29Å; M458-N462 WeakPolarHBondContact O-CB 3.45Å; M458-N462 PolarHBondContact O-N 2.88Å; M458-N462 PolarHBondContact O-OD1 3.16Å |
| 459 | T | 60.6 | Low | 62.4 | Low | 77 Ų | 77 | 63.3 Ų | 63.3 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 170.4 | 55.5 | 0 | 0 | 0 | 0 | 111 | S455 G456 N462 E463 | S455-T459 WeakPolarHBondContact O-CG2 3.31Å; S455-T459 PolarHBondContact O-N 3.04Å; S455-T459 VanDerWaalsContact O-N 3.17Å; S455-T459 PolarHBondContact O-OG1 3.23Å; S455-T459 VanDerWaalsContact O-OG1 3.1Å; G456-T459 VanDerWaalsContact CA-OG1 3.23Å; G456-T459 WeakPolarHBondContact CA-OG1 3.35Å; G456-T459 PolarHBondContact O-OG1 3.38Å; T459-N462 PolarHBondContact O-N 3.17Å; T459-E463 VanDerWaalsContact O-CB 3.32Å; T459-E463 WeakPolarHBondContact O-CB 3.39Å; T459-E463 VanDerWaalsContact O-CG 3.26Å; T459-E463 WeakPolarHBondContact O-CG 3.42Å; T459-E463 PolarHBondContact O-N 3.5Å |
| 460 | V | 73.3 | Confident | 65.8 | Low | 80 Ų | 80 | 62.1 Ų | 62.1 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 173.7 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | G456 M458 N462 A464 | G456-V460 WeakPolarHBondContact O-CA 3.44Å; G456-V460 WeakPolarHBondContact O-CB 3.35Å; G456-V460 WeakPolarHBondContact O-CG2 3.09Å; G456-V460 PolarHBondContact O-N 2.88Å; M458-V460 VanDerWaalsContact C-N 3.26Å; M458-V460 PolarHBondContact O-N 3.39Å; V460-N462 VanDerWaalsContact C-N 3.34Å; V460-A464 WeakPolarHBondContact O-CB 3.47Å; V460-A464 PolarHBondContact O-N 3.39Å |
| 461 | A | 78.1 | Confident | 69.1 | Low | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F286 S457 M458 A464 L465 | F286-A461 HydrophobicContact CD2-CB 3.96Å; F286-A461 HydrophobicContact CE2-CB 3.94Å; S457-A461 VanDerWaalsContact O-CB 3.3Å; S457-A461 WeakPolarHBondContact O-CB 3.49Å; S457-A461 PolarHBondContact O-N 3.23Å; M458-A461 HydrophobicContact CE-CB 3.89Å; M458-A461 PolarHBondContact O-N 3.25Å; A461-A464 WeakPolarHBondContact O-CB 3.16Å; A461-A464 PolarHBondContact O-N 3.36Å; A461-L465 WeakPolarHBondContact O-CB 3.37Å; A461-L465 PolarHBondContact O-N 3.39Å |
| 462 | N | 82.1 | Confident | 72.3 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.8 | -44 | 178.1 | -71.1 | 4.5 | 0 | 0 | 0 | 111.2 | Q285 P289 M458 T459 V460 A464 L465 L466 | Q285-N462 PolarHBondContact O-ND2 3.08Å; Q285-N462 PolarHBondContact O-OD1 2.96Å; P289-N462 HydrophobicContact CB-CB 4.05Å; M458-N462 VanDerWaalsContact O-CB 3.29Å; M458-N462 WeakPolarHBondContact O-CB 3.45Å; M458-N462 PolarHBondContact O-N 2.88Å; M458-N462 PolarHBondContact O-OD1 3.16Å; T459-N462 PolarHBondContact O-N 3.17Å; V460-N462 VanDerWaalsContact C-N 3.34Å; N462-A464 VanDerWaalsContact C-N 3.31Å; N462-L465 PolarHBondContact O-N 3.39Å; N462-L466 WeakPolarHBondContact O-CB 3.33Å; N462-L466 VanDerWaalsContact O-CG 3.32Å; N462-L466 WeakPolarHBondContact O-CG 3.41Å; N462-L466 PolarHBondContact O-N 2.97Å |
| 463 | E | 86.5 | Confident | 75.4 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 43% | 0.425 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 172 | -75.8 | 179.6 | -173.5 | 0 | 0 | 111.1 | T459 L466 R467 | T459-E463 VanDerWaalsContact O-CB 3.32Å; T459-E463 WeakPolarHBondContact O-CB 3.39Å; T459-E463 VanDerWaalsContact O-CG 3.26Å; T459-E463 WeakPolarHBondContact O-CG 3.42Å; T459-E463 PolarHBondContact O-N 3.5Å; E463-L466 PolarHBondContact O-N 3.2Å; E463-R467 WeakPolarHBondContact O-CG 3.41Å; E463-R467 PolarHBondContact O-N 3.31Å; E463-R467 VanDerWaalsContact O-N 3.16Å |
| 464 | A | 89.1 | Confident | 78.1 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F388 E392 V460 A461 N462 L466 R467 | F388-A464 VanDerWaalsContact CE1-O 3.26Å; F388-A464 WeakPolarHBondContact CE1-O 3.36Å; E392-A464 VanDerWaalsContact OE2-CB 3.32Å; E392-A464 WeakPolarHBondContact OE2-CB 3.46Å; V460-A464 WeakPolarHBondContact O-CB 3.47Å; V460-A464 PolarHBondContact O-N 3.39Å; A461-A464 WeakPolarHBondContact O-CB 3.16Å; A461-A464 PolarHBondContact O-N 3.36Å; N462-A464 VanDerWaalsContact C-N 3.31Å; A464-L466 PolarHBondContact O-N 3.06Å; A464-R467 WeakPolarHBondContact O-CB 3.44Å; A464-R467 PolarHBondContact O-N 3.44Å |
| 465 | L | 93.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 179.2 | -171.4 | 58.5 | 0 | 0 | 0 | 112.1 | F286 P289 L380 F383 A384 F388 T389 A461 N462 R467 A468 | F286-L465 WeakPolarHBondContact O-CD2 3.21Å; P289-L465 HydrophobicContact CG-CD2 4.11Å; P289-L465 HydrophobicContact CG-CG 4.43Å; L380-L465 HydrophobicContact CB-CD2 4.21Å; L380-L465 HydrophobicContact CB-CG 4.26Å; L380-L465 HydrophobicContact CD2-CD1 4.42Å; L380-L465 HydrophobicContact CD2-CG 4.18Å; L380-L465 WeakPolarHBondContact CD2-O 3.47Å; F383-L465 HydrophobicContact CB-CD1 4Å; A384-L465 HydrophobicContact CB-CD1 4.34Å; A384-L465 HydrophobicContact CB-CD2 3.97Å; F388-L465 HydrophobicContact CB-CD1 4.46Å; F388-L465 HydrophobicContact CD1-CD1 4.02Å; T389-L465 HydrophobicContact CG2-CB 3.83Å; T389-L465 HydrophobicContact CG2-CD1 4.16Å; T389-L465 HydrophobicContact CG2-CG 4.49Å; A461-L465 WeakPolarHBondContact O-CB 3.37Å; A461-L465 PolarHBondContact O-N 3.39Å; N462-L465 PolarHBondContact O-N 3.39Å; L465-R467 PolarHBondContact O-N 2.81Å; L465-A468 WeakPolarHBondContact O-CB 3.36Å; L465-A468 PolarHBondContact O-N 3.5Å |
| 466 | L | 94.8 | Very high | 82.5 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -24.5 | 176.5 | -74.7 | 173.7 | 0 | 0 | 0 | 113.1 | P289 F291 L380 N462 E463 A464 A468 I469 | P289-L466 HydrophobicContact CB-CD1 4.14Å; P289-L466 HydrophobicContact CB-CD2 4.04Å; P289-L466 HydrophobicContact CB-CG 3.84Å; P289-L466 HydrophobicContact CG-CD2 3.77Å; P289-L466 HydrophobicContact CG-CG 3.9Å; F291-L466 HydrophobicContact CB-CD2 3.98Å; F291-L466 HydrophobicContact CD1-CD2 3.76Å; F291-L466 HydrophobicContact CG-CD2 4.06Å; L380-L466 HydrophobicContact CD1-CD2 4.07Å; N462-L466 WeakPolarHBondContact O-CB 3.33Å; N462-L466 VanDerWaalsContact O-CG 3.32Å; N462-L466 WeakPolarHBondContact O-CG 3.41Å; N462-L466 PolarHBondContact O-N 2.97Å; E463-L466 PolarHBondContact O-N 3.2Å; A464-L466 PolarHBondContact O-N 3.06Å; L466-A468 PolarHBondContact O-N 2.87Å; L466-I469 PolarHBondContact O-N 2.9Å |
| 467 | R | 95.1 | Very high | 84.6 | Confident | 131 Ų | 131 | 49.3 Ų | 49.3 | 49% | 0.494 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9.4 | 171.9 | -72.5 | 175.4 | -179.6 | 139.8 | 10.7 | 113.6 | S302 E392 E463 A464 L465 I469 | S302-R467 WeakPolarHBondContact CB-O 3.2Å; S302-R467 PolarHBondContact OG-O 3.4Å; E392-R467 WeakPolarHBondContact OE1-CD 3.43Å; E392-R467 IonicContact OE1-CZ 3.57Å; E392-R467 IonicContact OE1-NE 3.9Å; E392-R467 IonicContact OE1-NH1 2.79Å; E392-R467 PolarHBondContact OE1-NH1 3.47Å; E392-R467 IonicContact OE2-NH1 3.25Å; E463-R467 WeakPolarHBondContact O-CG 3.41Å; E463-R467 PolarHBondContact O-N 3.31Å; E463-R467 VanDerWaalsContact O-N 3.16Å; A464-R467 WeakPolarHBondContact O-CB 3.44Å; A464-R467 PolarHBondContact O-N 3.44Å; L465-R467 PolarHBondContact O-N 2.81Å; R467-I469 PolarHBondContact O-N 3.3Å |
| 468 | A | 96.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S302 L380 F383 F388 L465 L466 | S302-A468 PolarHBondContact N-O 3.38Å; S302-A468 PolarHBondContact OG-O 3.42Å; L380-A468 HydrophobicContact CD2-CB 3.89Å; F383-A468 HydrophobicContact CD2-CB 3.59Å; F383-A468 HydrophobicContact CE2-CB 3.97Å; F388-A468 HydrophobicContact CD1-CB 3.92Å; F388-A468 HydrophobicContact CE1-CB 3.51Å; F388-A468 HydrophobicContact CE2-CB 4.2Å; F388-A468 HydrophobicContact CG-CB 4.41Å; F388-A468 VanDerWaalsContact CZ-CA 3.45Å; F388-A468 HydrophobicContact CZ-CB 3.68Å; L465-A468 WeakPolarHBondContact O-CB 3.36Å; L465-A468 PolarHBondContact O-N 3.5Å; L466-A468 PolarHBondContact O-N 2.87Å |
| 469 | I | 97.5 | Very high | 87.4 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 159.2 | -174.2 | 60.9 | 171.6 | 0 | 0 | 0 | 111.8 | F291 T299 E300 L379 L380 L466 R467 | F291-I469 HydrophobicContact CD2-CD1 4.39Å; F291-I469 HydrophobicContact CE2-CD1 4.05Å; F291-I469 HydrophobicContact CZ-CD1 4.17Å; T299-I469 HydrophobicContact CG2-CD1 4.22Å; E300-I469 CarbonylContact O-C 3.54Å; E300-I469 VanDerWaalsContact O-CA 3.26Å; E300-I469 WeakPolarHBondContact O-CA 3.48Å; L379-I469 HydrophobicContact CD2-CG2 3.52Å; L380-I469 HydrophobicContact CD1-CD1 4.18Å; L380-I469 HydrophobicContact CD2-CD1 4.41Å; L380-I469 HydrophobicContact CD2-CG1 4.35Å; L380-I469 HydrophobicContact CD2-CG2 4.09Å; L466-I469 PolarHBondContact O-N 2.9Å; R467-I469 PolarHBondContact O-N 3.3Å |
| 470 | I | 96.9 | Very high | 88.3 | Confident | 76 Ų | 76 | 51.2 Ų | 51.2 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.5 | 166.7 | 59.1 | 173.5 | 0 | 0 | 0 | 109 | T299 E300 | T299-I470 WeakPolarHBondContact CA-O 3.44Å; E300-I470 HydrophobicContact CB-CD1 4.21Å; E300-I470 HydrophobicContact CB-CG1 3.84Å; E300-I470 PolarHBondContact N-O 3.07Å; E300-I470 PolarHBondContact O-N 2.95Å |
| 471 | I | 96.7 | Very high | 88.8 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 33% | 0.333 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120 | 170.1 | -57.9 | 177.2 | 0 | 0 | 0 | 107 | F291 S292 C297 S298 T299 | F291-I471 HydrophobicContact CD2-CD1 4.41Å; S292-I471 WeakPolarHBondContact O-CD1 3.09Å; C297-I471 HydrophobicContact CB-CG2 3.86Å; S298-I471 WeakPolarHBondContact O-CA 3.48Å; T299-I471 HydrophobicContact CG2-CG1 4.18Å |
| 472 | T | 94.7 | Very high | 88.9 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 156 | 179.5 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | C297 S298 E300 R486 | C297-T472 VanDerWaalsContact CB-O 3.31Å; C297-T472 WeakPolarHBondContact CB-O 3.25Å; C297-T472 PolarHBondContact SG-O 3.12Å; S298-T472 PolarHBondContact N-OG1 3.06Å; S298-T472 PolarHBondContact O-N 2.92Å; S298-T472 PolarHBondContact O-OG1 3.45Å; S298-T472 PolarHBondContact OG-OG1 2.82Å; S298-T472 VanDerWaalsContact OG-OG1 3.05Å; E300-T472 HydrophobicContact CG-CG2 3.71Å; T472-R486 HydrophobicContact CG2-CG 3.92Å; T472-R486 PolarHBondContact OG1-NH2 3.47Å; T472-R486 VanDerWaalsContact OG1-NH2 3.16Å |
| 473 | N | 90.6 | Very high | 89 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 157.1 | 169.6 | -62 | -41.8 | 0 | 0 | 0 | 111.6 | R475 R486 | N473-R475 PolarHBondContact O-N 3.38Å; N473-R486 PolarHBondContact O-NH2 2.98Å |
| 474 | D | 89.9 | Confident | 89.2 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 132.4 | 170.2 | -177.6 | -25.5 | 0 | 0 | 0 | 110.1 | R476 I477 D478 | D474-R476 PolarHBondContact O-N 3.23Å; D474-R476 WeakPolarHBondContact OD1-CB 3.38Å; D474-R476 WeakPolarHBondContact OD1-CG 2.98Å; D474-R476 PolarHBondContact OD1-N 3.32Å; D474-R476 IonicContact OD1-NE 3.04Å; D474-R476 PolarHBondContact OD1-NE 3.45Å; D474-R476 IonicContact OD2-CZ 2.87Å; D474-R476 IonicContact OD2-NE 2.7Å; D474-R476 PolarHBondContact OD2-NE 2.86Å; D474-R476 IonicContact OD2-NH2 3.46Å; D474-R476 PolarHBondContact OD2-NH2 2.73Å; D474-I477 HydrophobicContact CB-CD1 4.17Å; D474-I477 HydrophobicContact CB-CG1 4.26Å; D474-I477 WeakPolarHBondContact O-CB 3.37Å; D474-I477 PolarHBondContact O-N 3.07Å; D474-D478 PolarHBondContact O-N 3.17Å |
| 475 | R | 86.8 | Confident | 89.2 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -52.6 | -29.8 | 177.7 | -63.8 | -174.6 | -174.4 | 151.2 | 1.8 | 113.5 | G296 Y373 N473 I477 D478 A479 A566 V567 D568 | G296-R475 PolarHBondContact O-N 3.03Å; Y373-R475 PolarHBondContact OH-NH2 2.93Å; Y373-R475 VanDerWaalsContact OH-NH2 3.09Å; N473-R475 PolarHBondContact O-N 3.38Å; R475-I477 VanDerWaalsContact C-N 3.26Å; R475-I477 PolarHBondContact O-N 3.07Å; R475-D478 PolarHBondContact O-N 3Å; R475-A479 WeakPolarHBondContact O-CB 3.3Å; R475-A479 PolarHBondContact O-N 3.37Å; R475-A566 PolarHBondContact NH1-O 3.38Å; R475-A566 PolarHBondContact NH2-O 3.18Å; R475-V567 PolarHBondContact NH1-O 2.68Å; R475-D568 WeakPolarHBondContact CD-OD1 3.23Å; R475-D568 IonicContact CZ-OD1 3.98Å; R475-D568 VanDerWaalsContact CZ-OD1 3.23Å; R475-D568 IonicContact NE-OD1 2.64Å; R475-D568 PolarHBondContact NE-OD1 2.73Å; R475-D568 IonicContact NH2-OD1 2.8Å; R475-D568 IonicContact NH2-OD2 3.2Å |
| 476 | R | 82.3 | Confident | 89.2 | Confident | 169 Ų | 169 | 67.5 Ų | 67.5 | 64% | 0.638 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.2 | -36.2 | 176 | -65.9 | -178.5 | -66.7 | 165.4 | -1.8 | 111.8 | D474 I480 | D474-R476 PolarHBondContact O-N 3.23Å; D474-R476 WeakPolarHBondContact OD1-CB 3.38Å; D474-R476 WeakPolarHBondContact OD1-CG 2.98Å; D474-R476 PolarHBondContact OD1-N 3.32Å; D474-R476 IonicContact OD1-NE 3.04Å; D474-R476 PolarHBondContact OD1-NE 3.45Å; D474-R476 IonicContact OD2-CZ 2.87Å; D474-R476 IonicContact OD2-NE 2.7Å; D474-R476 PolarHBondContact OD2-NE 2.86Å; D474-R476 IonicContact OD2-NH2 3.46Å; D474-R476 PolarHBondContact OD2-NH2 2.73Å; R476-I480 WeakPolarHBondContact O-CD1 3.38Å; R476-I480 VanDerWaalsContact O-CG1 3.24Å; R476-I480 WeakPolarHBondContact O-CG1 3.44Å; R476-I480 PolarHBondContact O-N 3.26Å |
| 477 | I | 85.1 | Confident | 89.2 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 35% | 0.354 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70 | -43.7 | 177.1 | -60.5 | 174.1 | 0 | 0 | 0 | 109.8 | D474 R475 A479 I480 R481 | D474-I477 HydrophobicContact CB-CD1 4.17Å; D474-I477 HydrophobicContact CB-CG1 4.26Å; D474-I477 WeakPolarHBondContact O-CB 3.37Å; D474-I477 PolarHBondContact O-N 3.07Å; R475-I477 VanDerWaalsContact C-N 3.26Å; R475-I477 PolarHBondContact O-N 3.07Å; I477-A479 VanDerWaalsContact C-N 3.29Å; I477-A479 PolarHBondContact O-N 2.9Å; I477-I480 PolarHBondContact O-N 3.04Å; I477-I480 VanDerWaalsContact O-N 3.16Å; I477-R481 HydrophobicContact CG2-CG 4.37Å; I477-R481 WeakPolarHBondContact O-CB 3.33Å; I477-R481 WeakPolarHBondContact O-CG 3.36Å; I477-R481 PolarHBondContact O-N 3.4Å |
| 478 | D | 85.5 | Confident | 89.3 | Confident | 15 Ų | 15 | 61 Ų | 61 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 176.4 | -68.5 | -9.6 | 0 | 0 | 0 | 111.2 | D474 R475 R481 R482 S483 T484 R486 | D474-D478 PolarHBondContact O-N 3.17Å; R475-D478 PolarHBondContact O-N 3Å; D478-R481 CarbonylContact O-C 3.52Å; D478-R481 PolarHBondContact O-N 2.94Å; D478-R482 WeakPolarHBondContact O-CA 3.48Å; D478-R482 PolarHBondContact O-N 3.48Å; D478-S483 VanDerWaalsContact CA-O 3.31Å; D478-S483 WeakPolarHBondContact CA-O 3.41Å; D478-S483 WeakPolarHBondContact CB-O 3.42Å; D478-S483 PolarHBondContact O-N 3.3Å; D478-T484 WeakPolarHBondContact OD2-CB 3.36Å; D478-T484 PolarHBondContact OD2-OG1 3.17Å; D478-R486 IonicContact OD2-NE 3.52Å; D478-R486 PolarHBondContact OD2-NE 3.41Å |
| 479 | A | 79.6 | Confident | 89.3 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 12% | 0.116 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R475 I477 R482 H779 | R475-A479 WeakPolarHBondContact O-CB 3.3Å; R475-A479 PolarHBondContact O-N 3.37Å; I477-A479 VanDerWaalsContact C-N 3.29Å; I477-A479 PolarHBondContact O-N 2.9Å; A479-R482 PolarHBondContact O-N 3.22Å; A479-H779 VanDerWaalsContact CA-NE2 3.34Å; A479-H779 WeakPolarHBondContact CA-NE2 3.3Å; A479-H779 PolarHBondContact O-NE2 3.22Å |
| 480 | I | 79.3 | Confident | 89.3 | Confident | 132 Ų | 132 | 61 Ų | 61 | 68% | 0.677 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 175.5 | -68.8 | 162.3 | 0 | 0 | 0 | 110.6 | R476 I477 R482 | R476-I480 WeakPolarHBondContact O-CD1 3.38Å; R476-I480 VanDerWaalsContact O-CG1 3.24Å; R476-I480 WeakPolarHBondContact O-CG1 3.44Å; R476-I480 PolarHBondContact O-N 3.26Å; I477-I480 PolarHBondContact O-N 3.04Å; I477-I480 VanDerWaalsContact O-N 3.16Å; I480-R482 PolarHBondContact O-N 3.12Å |
| 481 | R | 83.5 | Confident | 89.4 | Confident | 152 Ų | 152 | 57.3 Ų | 57.3 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -74 | -10.1 | 179 | -71.1 | -179 | 174.7 | 178.4 | -2.3 | 113.7 | I477 D478 S483 | I477-R481 HydrophobicContact CG2-CG 4.37Å; I477-R481 WeakPolarHBondContact O-CB 3.33Å; I477-R481 WeakPolarHBondContact O-CG 3.36Å; I477-R481 PolarHBondContact O-N 3.4Å; D478-R481 CarbonylContact O-C 3.52Å; D478-R481 PolarHBondContact O-N 2.94Å; R481-S483 PolarHBondContact O-N 2.96Å; R481-S483 VanDerWaalsContact O-N 3.09Å; R481-S483 PolarHBondContact O-OG 2.83Å |
| 482 | R | 81.5 | Confident | 89.5 | Confident | 181 Ų | 181 | 55.5 Ų | 55.5 | 68% | 0.683 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 30.7 | -173 | -55.5 | -178.6 | 178.4 | -173.4 | -1.6 | 113.1 | D478 A479 I480 Y777 H779 | D478-R482 WeakPolarHBondContact O-CA 3.48Å; D478-R482 PolarHBondContact O-N 3.48Å; A479-R482 PolarHBondContact O-N 3.22Å; I480-R482 PolarHBondContact O-N 3.12Å; R482-Y777 WeakPolarHBondContact O-CE1 3.18Å; R482-H779 HydrophobicContact CG-CB 4.48Å |
| 483 | S | 84.3 | Confident | 89.7 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 32% | 0.315 | 25% | 0.25 | S | C | . | . | trans | -157.9 | 147.4 | -179.8 | 54.2 | 0 | 0 | 0 | 0 | 108.9 | D478 R481 | D478-S483 VanDerWaalsContact CA-O 3.31Å; D478-S483 WeakPolarHBondContact CA-O 3.41Å; D478-S483 WeakPolarHBondContact CB-O 3.42Å; D478-S483 PolarHBondContact O-N 3.3Å; R481-S483 PolarHBondContact O-N 2.96Å; R481-S483 VanDerWaalsContact O-N 3.09Å; R481-S483 PolarHBondContact O-OG 2.83Å | ||
| 484 | T | 88.9 | Confident | 90 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | trans | -126.8 | 148.1 | 175.3 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | D478 R486 F489 N776 | D478-T484 WeakPolarHBondContact OD2-CB 3.36Å; D478-T484 PolarHBondContact OD2-OG1 3.17Å; T484-R486 HydrophobicContact CG2-CB 4.46Å; T484-R486 WeakPolarHBondContact OG1-CB 3.49Å; T484-R486 WeakPolarHBondContact OG1-CD 3.4Å; T484-R486 VanDerWaalsContact OG1-CG 3.25Å; T484-R486 WeakPolarHBondContact OG1-CG 3.32Å; T484-R486 PolarHBondContact OG1-N 3.06Å; T484-R486 VanDerWaalsContact OG1-N 3.11Å; T484-F489 HydrophobicContact CG2-CE1 4.03Å; T484-F489 HydrophobicContact CG2-CZ 4Å; T484-N776 WeakPolarHBondContact CG2-O 3.46Å; T484-N776 WeakPolarHBondContact CG2-OD1 3.47Å | ||
| 485 | Q | 89.6 | Confident | 90.4 | Very high | 151 Ų | 151 | 51.8 Ų | 51.8 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | trans | -100.2 | 1.4 | 170.5 | -59.8 | -59.4 | -36.7 | 0 | 0 | 111.7 | ||||
| 486 | R | 93.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | trans | -63.2 | 140.2 | 177.5 | -67.3 | 170.9 | 178.6 | -115.6 | -5.4 | 110.4 | G296 S298 E300 T472 N473 D478 T484 F489 R544 D568 | G296-R486 PolarHBondContact O-NH2 3.16Å; S298-R486 PolarHBondContact OG-NH1 3.27Å; E300-R486 VanDerWaalsContact OE1-CA 3.3Å; E300-R486 WeakPolarHBondContact OE1-CA 3.39Å; E300-R486 WeakPolarHBondContact OE1-CB 3.47Å; T472-R486 HydrophobicContact CG2-CG 3.92Å; T472-R486 PolarHBondContact OG1-NH2 3.47Å; T472-R486 VanDerWaalsContact OG1-NH2 3.16Å; N473-R486 PolarHBondContact O-NH2 2.98Å; D478-R486 IonicContact OD2-NE 3.52Å; D478-R486 PolarHBondContact OD2-NE 3.41Å; T484-R486 HydrophobicContact CG2-CB 4.46Å; T484-R486 WeakPolarHBondContact OG1-CB 3.49Å; T484-R486 WeakPolarHBondContact OG1-CD 3.4Å; T484-R486 VanDerWaalsContact OG1-CG 3.25Å; T484-R486 WeakPolarHBondContact OG1-CG 3.32Å; T484-R486 PolarHBondContact OG1-N 3.06Å; T484-R486 VanDerWaalsContact OG1-N 3.11Å; R486-F489 HydrophobicContact CB-CE1 3.98Å; R486-R544 PolarHBondContact O-NE 2.86Å; R486-D568 IonicContact NH1-OD1 3.71Å | ||
| 487 | T | 95.1 | Very high | 91.6 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 27% | 0.27 | 23% | 0.234 | S | C | . | . | trans | -109.2 | -15 | 177.1 | 67 | 0 | 0 | 0 | 0 | 112.5 | E300 T545 | E300-T487 VanDerWaalsContact CD-N 3.34Å; E300-T487 PolarHBondContact OE1-N 2.68Å; E300-T487 WeakPolarHBondContact OE2-CB 3.41Å; E300-T487 PolarHBondContact OE2-N 3.16Å; E300-T487 PolarHBondContact OE2-OG1 3.11Å; T487-T545 PolarHBondContact O-N 2.87Å | ||
| 488 | V | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.4 | 179.8 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | E300 M369 Y373 T545 L547 | E300-V488 HydrophobicContact CB-CG2 4.44Å; E300-V488 HydrophobicContact CG-CB 4.1Å; E300-V488 HydrophobicContact CG-CG2 3.84Å; E300-V488 PolarHBondContact OE1-N 2.94Å; E300-V488 VanDerWaalsContact OE1-N 3.11Å; M369-V488 HydrophobicContact CB-CG2 4.37Å; M369-V488 HydrophobicContact CE-CG2 3.43Å; M369-V488 VanDerWaalsContact CE-CG2 3.43Å; M369-V488 HydrophobicContact SD-CG2 4.15Å; Y373-V488 HydrophobicContact CD2-CG1 4.19Å; V488-T545 HydrophobicContact CG1-CG2 4.41Å; V488-L547 HydrophobicContact CG1-CD1 3.5Å; V488-L547 HydrophobicContact CG1-CD2 4.14Å; V488-L547 HydrophobicContact CG1-CG 3.66Å |
| 489 | F | 97 | Very high | 92.7 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.2 | 179.5 | -63.1 | -55.6 | 0 | 0 | 0 | 111.6 | T484 R486 R544 T545 L547 D568 A775 N776 | T484-F489 HydrophobicContact CG2-CE1 4.03Å; T484-F489 HydrophobicContact CG2-CZ 4Å; R486-F489 HydrophobicContact CB-CE1 3.98Å; F489-R544 HydrophobicContact CD2-CB 4.26Å; F489-R544 HydrophobicContact CD2-CG 4.39Å; F489-R544 HydrophobicContact CE2-CB 4.16Å; F489-R544 HydrophobicContact CE2-CG 3.79Å; F489-T545 PolarHBondContact N-O 3.39Å; F489-L547 PolarHBondContact O-N 3.4Å; F489-D568 HydrophobicContact CB-CB 4.46Å; F489-D568 HydrophobicContact CD1-CB 4.28Å; F489-A775 HydrophobicContact CB-CB 3.72Å; F489-A775 HydrophobicContact CD1-CB 3.71Å; F489-A775 HydrophobicContact CD2-CB 4.07Å; F489-A775 HydrophobicContact CE1-CB 4.36Å; F489-A775 HydrophobicContact CG-CB 3.55Å; F489-N776 HydrophobicContact CE2-CB 3.76Å; F489-N776 HydrophobicContact CZ-CB 3.65Å; F489-N776 WeakPolarHBondContact CZ-OD1 3.2Å |
| 490 | Y | 97.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 124.1 | 176.9 | 175.3 | -148.3 | 0 | 0 | 0 | 111.1 | Y373 R492 W531 H549 A566 V567 D568 V569 | Y373-Y490 HydrophobicContact CE1-CD1 4.23Å; Y373-Y490 HydrophobicContact CE1-CG 4.19Å; Y373-Y490 WeakPolarHBondContact OH-CB 3.43Å; Y373-Y490 VanDerWaalsContact OH-CD1 3.31Å; Y373-Y490 WeakPolarHBondContact OH-CD1 3.48Å; Y490-R492 HydrophobicContact CE1-CG 4.23Å; Y490-R492 HydrophobicContact CE2-CG 3.88Å; Y490-R492 WeakPolarHBondContact OH-CG 3.4Å; Y490-R492 PolarHBondContact OH-NE 2.57Å; Y490-W531 AromaticContact CD2-CH2 3.94Å; Y490-W531 HydrophobicContact CD2-CH2 3.94Å; Y490-W531 AromaticContact CD2-CZ3 3.84Å; Y490-W531 HydrophobicContact CD2-CZ3 3.84Å; Y490-W531 AromaticContact CE2-CH2 3.28Å; Y490-W531 HydrophobicContact CE2-CH2 3.28Å; Y490-W531 HydrophobicContact CE2-CZ2 4.31Å; Y490-W531 AromaticContact CE2-CZ3 3.53Å; Y490-W531 HydrophobicContact CE2-CZ3 3.53Å; Y490-W531 AromaticContact CZ-CH2 3.64Å; Y490-H549 HydrophobicContact CE2-CB 3.65Å; Y490-H549 PolarHBondContact OH-ND1 3.45Å; Y490-A566 WeakPolarHBondContact CD1-O 3.33Å; Y490-V567 HydrophobicContact CD1-CB 4.16Å; Y490-V567 HydrophobicContact CD1-CG2 4Å; Y490-V567 HydrophobicContact CD2-CG2 4.44Å; Y490-V567 HydrophobicContact CE1-CB 4.29Å; Y490-V567 HydrophobicContact CE1-CG2 4.28Å; Y490-V567 HydrophobicContact CG-CG2 4.11Å; Y490-V567 WeakPolarHBondContact O-CG2 3.28Å; Y490-D568 PolarHBondContact N-OD2 3.27Å; Y490-D568 WeakPolarHBondContact O-CB 3.48Å; Y490-D568 PolarHBondContact O-N 2.85Å; Y490-V569 PolarHBondContact O-N 3.49Å |
| 491 | C | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.7 | 175.1 | 180 | 0 | 0 | 0 | 0 | 111.6 | L546 L547 M548 H549 V569 | C491-L546 HydrophobicContact CB-CD1 3.92Å; C491-L547 WeakPolarHBondContact CA-O 3.43Å; C491-L547 WeakPolarHBondContact CB-O 3.31Å; C491-L547 PolarHBondContact N-O 2.69Å; C491-M548 HydrophobicContact CB-CG 4.24Å; C491-M548 CarbonylContact O-C 3.58Å; C491-M548 WeakPolarHBondContact O-CA 3.25Å; C491-H549 PolarHBondContact O-N 3.39Å; C491-V569 VanDerWaalsContact CA-O 3.27Å; C491-V569 WeakPolarHBondContact CA-O 3.43Å; C491-V569 HydrophobicContact CB-CG1 3.66Å |
| 492 | R | 98.3 | Very high | 95 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.7 | 170.1 | -75.9 | -172.7 | 170.4 | -162.2 | -3.2 | 110.1 | Y490 Y494 I551 E563 V567 V569 C571 | Y490-R492 HydrophobicContact CE1-CG 4.23Å; Y490-R492 HydrophobicContact CE2-CG 3.88Å; Y490-R492 WeakPolarHBondContact OH-CG 3.4Å; Y490-R492 PolarHBondContact OH-NE 2.57Å; R492-Y494 HydrophobicContact CB-CD2 4.36Å; R492-Y494 HydrophobicContact CB-CE2 3.52Å; R492-Y494 WeakPolarHBondContact CD-OH 3.25Å; R492-I551 HydrophobicContact CB-CG1 4.14Å; R492-I551 HydrophobicContact CG-CD1 4.25Å; R492-I551 HydrophobicContact CG-CG1 4.26Å; R492-E563 PolarHBondContact NH1-O 3.45Å; R492-E563 VanDerWaalsContact NH1-O 3.1Å; R492-V567 HydrophobicContact CB-CG2 3.97Å; R492-V567 HydrophobicContact CG-CB 4.2Å; R492-V567 HydrophobicContact CG-CG2 3.8Å; R492-V567 VanDerWaalsContact N-CG2 3.32Å; R492-V569 PolarHBondContact N-O 3.37Å; R492-C571 PolarHBondContact O-N 3Å |
| 493 | V | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117 | -177 | -171 | 0 | 0 | 0 | 0 | 109.4 | K501 L504 M505 M548 H549 I551 C571 V573 | V493-K501 HydrophobicContact CG1-CB 4.13Å; V493-K501 HydrophobicContact CG1-CD 4.37Å; V493-K501 HydrophobicContact CG1-CG 4.11Å; V493-L504 HydrophobicContact CG1-CD2 4.34Å; V493-M505 HydrophobicContact CB-SD 4.29Å; V493-M505 HydrophobicContact CG2-CG 4.15Å; V493-M505 HydrophobicContact CG2-SD 3.97Å; V493-M548 HydrophobicContact CG2-CB 4.19Å; V493-M548 HydrophobicContact CG2-CE 3.48Å; V493-M548 VanDerWaalsContact CG2-CE 3.48Å; V493-H549 PolarHBondContact N-O 3.25Å; V493-I551 PolarHBondContact O-N 3.21Å; V493-C571 WeakPolarHBondContact CA-O 3.41Å; V493-C571 HydrophobicContact CG2-CB 4.32Å; V493-V573 HydrophobicContact CG1-CG2 3.68Å |
| 494 | Y | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 155.8 | -179.9 | -60.7 | -85.3 | 0 | 0 | 0 | 111.1 | R492 I551 M559 A570 C571 L572 V573 I588 Y593 | R492-Y494 HydrophobicContact CB-CD2 4.36Å; R492-Y494 HydrophobicContact CB-CE2 3.52Å; R492-Y494 WeakPolarHBondContact CD-OH 3.25Å; Y494-I551 HydrophobicContact CD1-CB 3.95Å; Y494-I551 HydrophobicContact CD1-CG1 4.29Å; Y494-I551 HydrophobicContact CD1-CG2 4.11Å; Y494-I551 HydrophobicContact CE1-CB 3.9Å; Y494-I551 HydrophobicContact CE1-CG1 3.87Å; Y494-I551 HydrophobicContact CE1-CG2 3.83Å; Y494-M559 HydrophobicContact CE1-CE 3.84Å; Y494-M559 HydrophobicContact CE1-SD 3.64Å; Y494-M559 PolarHBondContact OH-SD 2.97Å; Y494-A570 HydrophobicContact CE2-CB 4.4Å; Y494-C571 PolarHBondContact N-O 2.95Å; Y494-L572 HydrophobicContact CD2-CD2 4.08Å; Y494-L572 HydrophobicContact CG-CD2 4.34Å; Y494-V573 WeakPolarHBondContact O-CB 3.34Å; Y494-V573 PolarHBondContact O-N 3.31Å; Y494-I588 HydrophobicContact CD1-CG2 4.19Å; Y494-I588 HydrophobicContact CD2-CG2 4.48Å; Y494-I588 HydrophobicContact CG-CG2 4.14Å; Y494-Y593 HydrophobicContact CD2-CE2 4.46Å; Y494-Y593 AromaticContact CE2-CE2 3.9Å; Y494-Y593 HydrophobicContact CE2-CE2 3.9Å; Y494-Y593 AromaticContact CE2-CZ 3.94Å; Y494-Y593 WeakPolarHBondContact CE2-OH 3.2Å; Y494-Y593 PolarHBondContact OH-OH 3.18Å |
| 495 | G | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | 160.5 | 155.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K501 V573 Y584 | G495-K501 PolarHBondContact O-NZ 3Å; G495-V573 VanDerWaalsContact CA-O 3.22Å; G495-V573 WeakPolarHBondContact CA-O 3.36Å; G495-Y584 VanDerWaalsContact C-CD1 3.47Å; G495-Y584 VanDerWaalsContact C-CE1 3.49Å | ||
| 496 | A | 97.4 | Very high | 97.1 | Very high | 18 Ų | 18 | 28 Ų | 28 | 15% | 0.149 | 13% | 0.134 | C | C | . | . | trans | -58.4 | 171 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V499 K501 Y584 | A496-V499 HydrophobicContact CB-CG1 3.8Å; A496-V499 WeakPolarHBondContact O-CG2 3.49Å; A496-K501 PolarHBondContact O-NZ 3.07Å; A496-Y584 HydrophobicContact CB-CG 4.18Å | ||
| 497 | R | 96 | Very high | 97.2 | Very high | 190 Ų | 190 | 28.1 Ų | 28.1 | 72% | 0.717 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 143.1 | 175.7 | -63.2 | -177.1 | -178.7 | -164.8 | -0.3 | 109.1 | V499 A553 | R497-V499 VanDerWaalsContact C-N 3.26Å; R497-V499 PolarHBondContact O-N 3.18Å; R497-A553 HydrophobicContact CG-CB 4.09Å |
| 498 | K | 95.8 | Very high | 97.2 | Very high | 190 Ų | 190 | 26.3 Ų | 26.3 | 83% | 0.826 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 9.1 | 174.8 | -53.6 | -179.6 | 177.8 | -179.4 | 0 | 117.6 | G500 K606 | K498-G500 VanDerWaalsContact C-N 3.25Å; K498-G500 PolarHBondContact O-N 3.01Å; K498-K606 WeakPolarHBondContact O-CE 3.29Å; K498-K606 PolarHBondContact O-NZ 3.42Å |
| 499 | V | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -71.5 | -14.9 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 114.6 | A496 R497 K501 V573 D575 A605 | A496-V499 HydrophobicContact CB-CG1 3.8Å; A496-V499 WeakPolarHBondContact O-CG2 3.49Å; R497-V499 VanDerWaalsContact C-N 3.26Å; R497-V499 PolarHBondContact O-N 3.18Å; V499-K501 HydrophobicContact CG2-CG 3.84Å; V499-V573 HydrophobicContact CG2-CB 4.3Å; V499-V573 HydrophobicContact CG2-CG1 4.09Å; V499-D575 HydrophobicContact CB-CB 3.97Å; V499-D575 HydrophobicContact CG1-CB 4.02Å; V499-A605 VanDerWaalsContact O-CB 3.29Å; V499-A605 WeakPolarHBondContact O-CB 3.4Å |
| 500 | G | 96.6 | Very high | 96.9 | Very high | 17 Ų | 17 | 29.3 Ų | 29.3 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 104.8 | 20.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | K498 T502 C503 L504 | K498-G500 VanDerWaalsContact C-N 3.25Å; K498-G500 PolarHBondContact O-N 3.01Å; G500-T502 PolarHBondContact O-N 2.91Å; G500-C503 WeakPolarHBondContact O-CB 3.38Å; G500-C503 PolarHBondContact O-N 3.34Å; G500-C503 VanDerWaalsContact O-N 3.14Å; G500-L504 PolarHBondContact O-N 3.44Å |
| 501 | K | 97.8 | Very high | 96.7 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -50.9 | -51.5 | 175.5 | -63 | -173.1 | -65.6 | -72.9 | 0 | 112.8 | V493 G495 A496 V499 C503 L504 M505 E550 I551 | V493-K501 HydrophobicContact CG1-CB 4.13Å; V493-K501 HydrophobicContact CG1-CD 4.37Å; V493-K501 HydrophobicContact CG1-CG 4.11Å; G495-K501 PolarHBondContact O-NZ 3Å; A496-K501 PolarHBondContact O-NZ 3.07Å; V499-K501 HydrophobicContact CG2-CG 3.84Å; K501-C503 VanDerWaalsContact C-N 3.32Å; K501-C503 PolarHBondContact O-N 3.06Å; K501-L504 WeakPolarHBondContact O-CB 3.3Å; K501-L504 PolarHBondContact O-N 3.07Å; K501-L504 VanDerWaalsContact O-N 3.15Å; K501-M505 PolarHBondContact O-N 3.41Å; K501-E550 HydrophobicContact CB-CG 3.95Å; K501-E550 HydrophobicContact CD-CG 4.11Å; K501-E550 VanDerWaalsContact CE-OE1 3.22Å; K501-E550 WeakPolarHBondContact CE-OE1 3.46Å; K501-I551 WeakPolarHBondContact CE-O 3.46Å |
| 502 | T | 97.2 | Very high | 96.5 | Very high | 39 Ų | 39 | 29 Ų | 29 | 24% | 0.239 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | 178.9 | -42.5 | 0 | 0 | 0 | 0 | 111.5 | G500 L504 M505 Q506 T528 E550 | G500-T502 PolarHBondContact O-N 2.91Å; T502-L504 VanDerWaalsContact C-N 3.34Å; T502-L504 PolarHBondContact O-N 3.43Å; T502-M505 PolarHBondContact O-N 3.34Å; T502-Q506 HydrophobicContact CG2-CG 4.28Å; T502-Q506 WeakPolarHBondContact O-CB 3.48Å; T502-Q506 VanDerWaalsContact O-CG 3.25Å; T502-Q506 WeakPolarHBondContact O-CG 3.44Å; T502-Q506 PolarHBondContact O-N 2.92Å; T502-T528 HydrophobicContact CG2-CG2 3.88Å; T502-E550 WeakPolarHBondContact CA-OE2 3.26Å; T502-E550 WeakPolarHBondContact CB-OE2 3.27Å; T502-E550 PolarHBondContact N-OE2 3.21Å; T502-E550 PolarHBondContact OG1-OE1 3.03Å; T502-E550 PolarHBondContact OG1-OE2 3.3Å |
| 503 | C | 96.6 | Very high | 96.2 | Very high | 30 Ų | 30 | 33 Ų | 33 | 20% | 0.203 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 176.9 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | G500 K501 M505 G507 | G500-C503 WeakPolarHBondContact O-CB 3.38Å; G500-C503 PolarHBondContact O-N 3.34Å; G500-C503 VanDerWaalsContact O-N 3.14Å; K501-C503 VanDerWaalsContact C-N 3.32Å; K501-C503 PolarHBondContact O-N 3.06Å; C503-M505 VanDerWaalsContact C-N 3.35Å; C503-G507 PolarHBondContact O-N 3.36Å |
| 504 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 173.6 | 177.3 | 67.1 | 0 | 0 | 0 | 111.3 | V493 G500 K501 T502 G507 L508 M548 V573 V603 F635 V767 Y768 | V493-L504 HydrophobicContact CG1-CD2 4.34Å; G500-L504 PolarHBondContact O-N 3.44Å; K501-L504 WeakPolarHBondContact O-CB 3.3Å; K501-L504 PolarHBondContact O-N 3.07Å; K501-L504 VanDerWaalsContact O-N 3.15Å; T502-L504 VanDerWaalsContact C-N 3.34Å; T502-L504 PolarHBondContact O-N 3.43Å; L504-G507 PolarHBondContact O-N 2.86Å; L504-L508 PolarHBondContact O-N 3.18Å; L504-M548 HydrophobicContact CD2-CE 4.29Å; L504-M548 HydrophobicContact CG-CE 4.31Å; L504-V573 HydrophobicContact CD2-CG2 3.67Å; L504-V603 HydrophobicContact CD2-CG1 4.48Å; L504-F635 HydrophobicContact CB-CD1 4.25Å; L504-F635 HydrophobicContact CB-CE1 3.99Å; L504-F635 HydrophobicContact CB-CZ 4.38Å; L504-F635 HydrophobicContact CD1-CB 4.29Å; L504-F635 HydrophobicContact CD1-CD1 3.79Å; L504-F635 HydrophobicContact CD1-CD2 3.53Å; L504-F635 HydrophobicContact CD1-CE1 3.95Å; L504-F635 HydrophobicContact CD1-CE2 3.69Å; L504-F635 HydrophobicContact CD1-CG 3.58Å; L504-F635 HydrophobicContact CD1-CZ 3.9Å; L504-V767 HydrophobicContact CD1-CG1 4.16Å; L504-V767 HydrophobicContact CD1-CG2 4.38Å; L504-Y768 HydrophobicContact CD1-CE1 4.07Å; L504-Y768 WeakPolarHBondContact O-CE1 3.33Å; L504-Y768 PolarHBondContact O-OH 3.25Å |
| 505 | M | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.4 | -41.8 | 179.1 | -71.1 | 175.5 | 61.9 | 0 | 0 | 112.6 | V493 K501 T502 C503 G507 L508 N530 V532 M548 E550 | V493-M505 HydrophobicContact CB-SD 4.29Å; V493-M505 HydrophobicContact CG2-CG 4.15Å; V493-M505 HydrophobicContact CG2-SD 3.97Å; K501-M505 PolarHBondContact O-N 3.41Å; T502-M505 PolarHBondContact O-N 3.34Å; C503-M505 VanDerWaalsContact C-N 3.35Å; M505-G507 PolarHBondContact O-N 2.95Å; M505-L508 VanDerWaalsContact O-CB 3.28Å; M505-L508 WeakPolarHBondContact O-CB 3.34Å; M505-L508 PolarHBondContact O-N 3.29Å; M505-L508 VanDerWaalsContact O-N 3.07Å; M505-N530 WeakPolarHBondContact CE-O 3.38Å; M505-V532 HydrophobicContact CB-CG1 4.32Å; M505-V532 HydrophobicContact CB-CG2 3.84Å; M505-V532 HydrophobicContact CE-CB 4.45Å; M505-V532 HydrophobicContact CE-CG1 4.21Å; M505-V532 HydrophobicContact CE-CG2 3.79Å; M505-V532 HydrophobicContact CG-CG2 4.28Å; M505-M548 HydrophobicContact CE-CB 3.99Å; M505-M548 WeakPolarHBondContact CE-O 3.45Å; M505-M548 HydrophobicContact CG-CB 4.09Å; M505-M548 HydrophobicContact CG-CE 4.05Å; M505-M548 HydrophobicContact CG-SD 4.41Å; M505-M548 HydrophobicContact SD-CB 4.42Å; M505-E550 HydrophobicContact CE-CB 4.1Å; M505-E550 HydrophobicContact SD-CB 3.51Å; M505-E550 VanDerWaalsContact SD-CB 3.51Å; M505-E550 HydrophobicContact SD-CG 4.22Å |
| 506 | Q | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -31.4 | 174.4 | -67.9 | -62.3 | -58.3 | 0 | 0 | 111.5 | T502 L508 L509 G510 R511 I521 T528 | T502-Q506 HydrophobicContact CG2-CG 4.28Å; T502-Q506 WeakPolarHBondContact O-CB 3.48Å; T502-Q506 VanDerWaalsContact O-CG 3.25Å; T502-Q506 WeakPolarHBondContact O-CG 3.44Å; T502-Q506 PolarHBondContact O-N 2.92Å; Q506-L508 VanDerWaalsContact C-N 3.26Å; Q506-L508 PolarHBondContact O-N 2.83Å; Q506-L509 WeakPolarHBondContact O-CA 3.31Å; Q506-L509 WeakPolarHBondContact O-CB 3.42Å; Q506-L509 PolarHBondContact O-N 3.43Å; Q506-G510 PolarHBondContact O-N 3.46Å; Q506-R511 CarbonylContact C-O 3.58Å; Q506-R511 HydrophobicContact CB-CB 4.12Å; Q506-R511 WeakPolarHBondContact O-CB 3.4Å; Q506-R511 PolarHBondContact O-N 2.96Å; Q506-I521 HydrophobicContact CB-CD1 3.65Å; Q506-I521 HydrophobicContact CG-CD1 4.25Å; Q506-I521 HydrophobicContact CG-CG2 4.35Å; Q506-T528 HydrophobicContact CG-CG2 4.03Å |
| 507 | G | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -32.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114 | C503 L504 M505 L509 G510 R511 Y768 | C503-G507 PolarHBondContact O-N 3.36Å; L504-G507 PolarHBondContact O-N 2.86Å; M505-G507 PolarHBondContact O-N 2.95Å; G507-L509 PolarHBondContact O-N 3.48Å; G507-G510 PolarHBondContact O-N 3.28Å; G507-R511 WeakPolarHBondContact CA-O 3.5Å; G507-Y768 VanDerWaalsContact CA-OH 3.32Å; G507-Y768 WeakPolarHBondContact CA-OH 3.5Å |
| 508 | L | 96.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -31.6 | 174.6 | -179.2 | 67.6 | 0 | 0 | 0 | 111.3 | L504 M505 Q506 G510 V532 L546 M548 F764 Y768 | L504-L508 PolarHBondContact O-N 3.18Å; M505-L508 VanDerWaalsContact O-CB 3.28Å; M505-L508 WeakPolarHBondContact O-CB 3.34Å; M505-L508 PolarHBondContact O-N 3.29Å; M505-L508 VanDerWaalsContact O-N 3.07Å; Q506-L508 VanDerWaalsContact C-N 3.26Å; Q506-L508 PolarHBondContact O-N 2.83Å; L508-G510 PolarHBondContact O-N 3.45Å; L508-V532 HydrophobicContact CD2-CG2 4.02Å; L508-L546 HydrophobicContact CD1-CD2 4.23Å; L508-L546 HydrophobicContact CD2-CB 4.43Å; L508-L546 HydrophobicContact CD2-CD2 4.24Å; L508-L546 HydrophobicContact CD2-CG 4.4Å; L508-M548 HydrophobicContact CB-SD 4.31Å; L508-M548 HydrophobicContact CD2-CG 4.04Å; L508-M548 HydrophobicContact CD2-SD 3.74Å; L508-F764 HydrophobicContact CD1-CD1 4.1Å; L508-F764 HydrophobicContact CD1-CE1 3.91Å; L508-Y768 HydrophobicContact CB-CD1 4.14Å; L508-Y768 HydrophobicContact CB-CE1 3.76Å; L508-Y768 HydrophobicContact CD1-CD1 3.66Å; L508-Y768 HydrophobicContact CD1-CD2 4.12Å; L508-Y768 HydrophobicContact CD1-CE1 4.17Å; L508-Y768 HydrophobicContact CD1-CG 3.64Å; L508-Y768 HydrophobicContact CG-CD1 4.42Å; L508-Y768 PolarHBondContact N-OH 3.23Å |
| 509 | L | 94.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 4.1 | 177.7 | -54 | -172.2 | 0 | 0 | 0 | 113 | Q506 G507 R511 V532 | Q506-L509 WeakPolarHBondContact O-CA 3.31Å; Q506-L509 WeakPolarHBondContact O-CB 3.42Å; Q506-L509 PolarHBondContact O-N 3.43Å; G507-L509 PolarHBondContact O-N 3.48Å; L509-R511 VanDerWaalsContact C-N 3.34Å; L509-R511 HydrophobicContact CB-CG 4.48Å; L509-V532 HydrophobicContact CD1-CB 4.1Å; L509-V532 HydrophobicContact CD1-CG1 3.7Å; L509-V532 HydrophobicContact CD2-CB 4.02Å; L509-V532 HydrophobicContact CG-CB 4.13Å; L509-V532 HydrophobicContact CG-CG1 4.14Å |
| 510 | G | 92.6 | Very high | 93.3 | Very high | 57 Ų | 57 | 26.4 Ų | 26.4 | 59% | 0.588 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76 | 20.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q506 G507 L508 | Q506-G510 PolarHBondContact O-N 3.46Å; G507-G510 PolarHBondContact O-N 3.28Å; L508-G510 PolarHBondContact O-N 3.45Å |
| 511 | R | 93.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | trans | -101.9 | 148.9 | 179.5 | -65 | 168.9 | -178.3 | 161.9 | 7.1 | 112.1 | S348 V351 T353 Q506 G507 L509 T519 G520 L640 | S348-R511 PolarHBondContact O-NH2 2.73Å; V351-R511 PolarHBondContact O-NH2 3.08Å; T353-R511 PolarHBondContact OG1-NH2 3.43Å; Q506-R511 CarbonylContact C-O 3.58Å; Q506-R511 HydrophobicContact CB-CB 4.12Å; Q506-R511 WeakPolarHBondContact O-CB 3.4Å; Q506-R511 PolarHBondContact O-N 2.96Å; G507-R511 WeakPolarHBondContact CA-O 3.5Å; L509-R511 VanDerWaalsContact C-N 3.34Å; L509-R511 HydrophobicContact CB-CG 4.48Å; R511-T519 CarbonylContact C-O 3.6Å; R511-T519 WeakPolarHBondContact CA-O 3.45Å; R511-T519 WeakPolarHBondContact CB-O 3.31Å; R511-G520 WeakPolarHBondContact CB-O 3.41Å; R511-G520 WeakPolarHBondContact CD-O 3.38Å; R511-G520 WeakPolarHBondContact CG-O 3.36Å; R511-L640 WeakPolarHBondContact O-CD1 3.2Å | ||
| 512 | S | 92.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -148.8 | 165.1 | -176.1 | 73.8 | 0 | 0 | 0 | 0 | 114.3 | A514 G515 T519 I521 S637 L640 | S512-A514 PolarHBondContact O-N 3.34Å; S512-G515 PolarHBondContact O-N 3.3Å; S512-G515 PolarHBondContact OG-N 3.07Å; S512-T519 PolarHBondContact N-O 2.65Å; S512-I521 PolarHBondContact O-N 2.96Å; S512-S637 WeakPolarHBondContact CB-O 3.49Å; S512-L640 VanDerWaalsContact CB-CB 3.44Å; S512-L640 WeakPolarHBondContact CB-O 3.16Å; S512-L640 PolarHBondContact OG-O 3.31Å |
| 513 | L | 92.8 | Very high | 92.6 | Very high | 111 Ų | 111 | 26.1 Ų | 26.1 | 58% | 0.581 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -29.4 | 174.2 | -70.9 | 172.9 | 0 | 0 | 0 | 112.8 | G515 I521 S637 V638 | L513-G515 VanDerWaalsContact C-N 3.32Å; L513-I521 HydrophobicContact CD2-CG1 3.88Å; L513-I521 HydrophobicContact CG-CG1 4.32Å; L513-S637 PolarHBondContact N-OG 3.2Å; L513-V638 HydrophobicContact CD1-CG2 4.45Å |
| 514 | A | 90 | Very high | 92.3 | Very high | 61 Ų | 61 | 29.8 Ų | 29.8 | 50% | 0.504 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -5.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S512 | S512-A514 PolarHBondContact O-N 3.34Š|
| 515 | G | 87.7 | Confident | 91.9 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | trans | -74.2 | 150.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | S512 L513 G520 | S512-G515 PolarHBondContact O-N 3.3Å; S512-G515 PolarHBondContact OG-N 3.07Å; L513-G515 VanDerWaalsContact C-N 3.32Å; G515-G520 WeakPolarHBondContact O-CA 3.2Å | ||
| 516 | S | 86.3 | Confident | 91.7 | Very high | 94 Ų | 94 | 35.2 Ų | 35.2 | 66% | 0.657 | 25% | 0.254 | S | S | * | . | trans | -121.6 | 153.1 | 177.2 | 61 | 0 | 0 | 0 | 0 | 111 | G518 T519 | S516-G518 PolarHBondContact O-N 2.81Å; S516-T519 PolarHBondContact N-OG1 2.98Å; S516-T519 VanDerWaalsContact N-OG1 3.17Å; S516-T519 PolarHBondContact O-N 3.33Å; S516-T519 VanDerWaalsContact O-N 3.14Å; S516-T519 PolarHBondContact O-OG1 2.92Å | ||
| 517 | G | 87.2 | Confident | 91.5 | Very high | 47 Ų | 47 | 41.3 Ų | 41.3 | 49% | 0.485 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | 56.2 | -131.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T519 G520 G523 | G517-T519 PolarHBondContact O-N 2.87Å; G517-G520 PolarHBondContact O-N 2.9Å; G517-G523 CarbonylContact O-C 3.59Å |
| 518 | G | 87.2 | Confident | 91.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -61.6 | -13.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | T353 S355 S516 | T353-G518 PolarHBondContact OG1-O 3.45Å; S355-G518 WeakPolarHBondContact O-CA 3.46Å; S355-G518 PolarHBondContact O-N 2.86Å; S516-G518 PolarHBondContact O-N 2.81Å |
| 519 | T | 89.6 | Confident | 91.5 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -97.8 | -6.2 | 177.2 | 66 | 0 | 0 | 0 | 0 | 114 | R511 S512 S516 G517 | R511-T519 CarbonylContact C-O 3.6Å; R511-T519 WeakPolarHBondContact CA-O 3.45Å; R511-T519 WeakPolarHBondContact CB-O 3.31Å; S512-T519 PolarHBondContact N-O 2.65Å; S516-T519 PolarHBondContact N-OG1 2.98Å; S516-T519 VanDerWaalsContact N-OG1 3.17Å; S516-T519 PolarHBondContact O-N 3.33Å; S516-T519 VanDerWaalsContact O-N 3.14Å; S516-T519 PolarHBondContact O-OG1 2.92Å; G517-T519 PolarHBondContact O-N 2.87Å |
| 520 | G | 92.5 | Very high | 91.6 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 164.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R511 G515 G517 G522 G523 | R511-G520 WeakPolarHBondContact CB-O 3.41Å; R511-G520 WeakPolarHBondContact CD-O 3.38Å; R511-G520 WeakPolarHBondContact CG-O 3.36Å; G515-G520 WeakPolarHBondContact O-CA 3.2Å; G517-G520 PolarHBondContact O-N 2.9Å; G520-G522 PolarHBondContact O-N 2.91Å; G520-G523 PolarHBondContact O-N 3.15Å |
| 521 | I | 93.4 | Very high | 91.8 | Very high | 53 Ų | 53 | 46.8 Ų | 46.8 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 126.2 | 169.9 | -62.2 | -58.4 | 0 | 0 | 0 | 109.5 | Q506 S512 L513 G523 T528 | Q506-I521 HydrophobicContact CB-CD1 3.65Å; Q506-I521 HydrophobicContact CG-CD1 4.25Å; Q506-I521 HydrophobicContact CG-CG2 4.35Å; S512-I521 PolarHBondContact O-N 2.96Å; L513-I521 HydrophobicContact CD2-CG1 3.88Å; L513-I521 HydrophobicContact CG-CG1 4.32Å; I521-G523 VanDerWaalsContact C-N 3.31Å; I521-T528 HydrophobicContact CG2-CG2 4.22Å |
| 522 | G | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -1.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G520 T525 G526 R527 | G520-G522 PolarHBondContact O-N 2.91Å; G522-T525 PolarHBondContact O-OG1 3.11Å; G522-G526 PolarHBondContact O-N 3.16Å; G522-R527 CarbonylContact C-O 3.18Å; G522-R527 VanDerWaalsContact CA-O 3.25Å; G522-R527 WeakPolarHBondContact CA-O 3.2Å; G522-R527 PolarHBondContact O-N 3.05Å; G522-R527 VanDerWaalsContact O-O 3.13Å |
| 523 | G | 92.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | 57.6 | -150.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G517 G520 I521 T525 G526 | G517-G523 CarbonylContact O-C 3.59Å; G520-G523 PolarHBondContact O-N 3.15Å; I521-G523 VanDerWaalsContact C-N 3.31Å; G523-T525 PolarHBondContact O-N 2.96Å; G523-G526 PolarHBondContact O-N 2.84Å |
| 524 | I | 90.4 | Very high | 92.5 | Very high | 106 Ų | 106 | 41.2 Ų | 41.2 | 54% | 0.544 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -68.4 | -22.7 | -175.8 | -161.1 | 62.9 | 0 | 0 | 0 | 113.5 | ||
| 525 | T | 89.9 | Confident | 92.8 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -86.1 | -15.5 | -178.7 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | L349 G522 G523 R527 | L349-T525 HydrophobicContact CD2-CG2 4.23Å; L349-T525 WeakPolarHBondContact CD2-OG1 3.42Å; G522-T525 PolarHBondContact O-OG1 3.11Å; G523-T525 PolarHBondContact O-N 2.96Å; T525-R527 PolarHBondContact O-N 2.95Å; T525-R527 VanDerWaalsContact O-N 3.17Å; T525-R527 PolarHBondContact OG1-N 2.93Å; T525-R527 VanDerWaalsContact OG1-N 3.17Å |
| 526 | G | 91.9 | Very high | 93.1 | Very high | 61 Ų | 61 | 39.4 Ų | 39.4 | 63% | 0.629 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 7.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G522 G523 | G522-G526 PolarHBondContact O-N 3.16Å; G523-G526 PolarHBondContact O-N 2.84Å |
| 527 | R | 93.9 | Very high | 93.5 | Very high | 129 Ų | 129 | 35 Ų | 35 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | trans | -107.5 | 146.1 | -178.7 | -64 | -174.8 | -70 | 149.2 | 1.8 | 110.3 | E346 L349 G522 T525 | E346-R527 IonicContact OE1-CZ 3.07Å; E346-R527 VanDerWaalsContact OE1-CZ 3.27Å; E346-R527 IonicContact OE1-NH1 3.95Å; E346-R527 PolarHBondContact OE1-NH1 2.86Å; E346-R527 IonicContact OE1-NH2 3.74Å; E346-R527 PolarHBondContact OE1-NH2 2.92Å; L349-R527 HydrophobicContact CD2-CB 3.96Å; L349-R527 WeakPolarHBondContact CD2-O 3.28Å; G522-R527 CarbonylContact C-O 3.18Å; G522-R527 VanDerWaalsContact CA-O 3.25Å; G522-R527 WeakPolarHBondContact CA-O 3.2Å; G522-R527 PolarHBondContact O-N 3.05Å; G522-R527 VanDerWaalsContact O-O 3.13Å; T525-R527 PolarHBondContact O-N 2.95Å; T525-R527 VanDerWaalsContact O-N 3.17Å; T525-R527 PolarHBondContact OG1-N 2.93Å; T525-R527 VanDerWaalsContact OG1-N 3.17Å | ||
| 528 | T | 94.7 | Very high | 93.7 | Very high | 65 Ų | 65 | 35.4 Ų | 35.4 | 40% | 0.399 | 21% | 0.211 | S | C | . | . | trans | -118.7 | 144.3 | 175.9 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | T502 Q506 I521 | T502-T528 HydrophobicContact CG2-CG2 3.88Å; Q506-T528 HydrophobicContact CG-CG2 4.03Å; I521-T528 HydrophobicContact CG2-CG2 4.22Å | ||
| 529 | S | 95.1 | Very high | 93.8 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | trans | -93.4 | 152.2 | 169.1 | 179 | 0 | 0 | 0 | 0 | 110.7 | Y350 W531 | Y350-S529 WeakPolarHBondContact CD1-OG 3.47Å; Y350-S529 WeakPolarHBondContact CE1-OG 3.47Å; S529-W531 WeakPolarHBondContact CB-O 3.36Å; S529-W531 PolarHBondContact O-N 2.74Å; S529-W531 PolarHBondContact OG-N 2.76Å; S529-W531 PolarHBondContact OG-O 3.22Å | ||
| 530 | N | 97 | Very high | 93.7 | Very high | 81 Ų | 81 | 39.8 Ų | 39.8 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -75.4 | -3.7 | 167.1 | 66.5 | -39.9 | 0 | 0 | 0 | 112.4 | M505 H549 E550 | M505-N530 WeakPolarHBondContact CE-O 3.38Å; N530-H549 PolarHBondContact ND2-NE2 3.09Å; N530-H549 CarbonylContact O-C 3.53Å; N530-H549 VanDerWaalsContact O-CA 3.31Å; N530-H549 WeakPolarHBondContact O-CA 3.31Å; N530-H549 PolarHBondContact O-CD2 2.86Å; N530-E550 HydrophobicContact CB-CB 4.15Å; N530-E550 PolarHBondContact O-N 2.79Å |
| 531 | W | 98.1 | Very high | 93.3 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 13% | 0.125 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.4 | 171.2 | -76.4 | 91.4 | 0 | 0 | 0 | 110.4 | Y350 L370 L374 Y490 S529 L547 M548 H549 | Y350-W531 HydrophobicContact CD1-CB 4.07Å; Y350-W531 WeakPolarHBondContact CD1-O 3.38Å; Y350-W531 HydrophobicContact CE1-CB 4.38Å; L370-W531 HydrophobicContact CD1-CE3 3.83Å; L370-W531 HydrophobicContact CD1-CZ3 4.28Å; L370-W531 HydrophobicContact CD2-CB 4.5Å; L374-W531 HydrophobicContact CD1-CD2 4.2Å; L374-W531 HydrophobicContact CD1-CE3 4.38Å; L374-W531 HydrophobicContact CD1-CZ2 4.41Å; L374-W531 HydrophobicContact CD2-CH2 3.71Å; L374-W531 HydrophobicContact CD2-CZ2 3.88Å; L374-W531 HydrophobicContact CD2-CZ3 4.22Å; Y490-W531 AromaticContact CD2-CH2 3.94Å; Y490-W531 HydrophobicContact CD2-CH2 3.94Å; Y490-W531 AromaticContact CD2-CZ3 3.84Å; Y490-W531 HydrophobicContact CD2-CZ3 3.84Å; Y490-W531 AromaticContact CE2-CH2 3.28Å; Y490-W531 HydrophobicContact CE2-CH2 3.28Å; Y490-W531 HydrophobicContact CE2-CZ2 4.31Å; Y490-W531 AromaticContact CE2-CZ3 3.53Å; Y490-W531 HydrophobicContact CE2-CZ3 3.53Å; Y490-W531 AromaticContact CZ-CH2 3.64Å; S529-W531 WeakPolarHBondContact CB-O 3.36Å; S529-W531 PolarHBondContact O-N 2.74Å; S529-W531 PolarHBondContact OG-N 2.76Å; S529-W531 PolarHBondContact OG-O 3.22Å; W531-L547 HydrophobicContact CZ3-CB 4.4Å; W531-M548 WeakPolarHBondContact CA-O 3.42Å; W531-H549 AromaticContact CD1-CD2 3.96Å; W531-H549 HydrophobicContact CD2-CB 3.92Å; W531-H549 AromaticContact CD2-CG 3.95Å; W531-H549 AromaticContact CE2-CD2 3.57Å; W531-H549 AromaticContact CE2-CE1 3.88Å; W531-H549 AromaticContact CE2-CG 3.45Å; W531-H549 VanDerWaalsContact CE2-CG 3.45Å; W531-H549 AromaticContact CE2-ND1 3.65Å; W531-H549 AromaticContact CE2-NE2 3.86Å; W531-H549 HydrophobicContact CE3-CB 3.83Å; W531-H549 HydrophobicContact CH2-CB 3.75Å; W531-H549 AromaticContact CH2-CG 3.89Å; W531-H549 AromaticContact CH2-ND1 3.76Å; W531-H549 HydrophobicContact CZ2-CB 3.82Å; W531-H549 AromaticContact CZ2-CD2 3.97Å; W531-H549 AromaticContact CZ2-CE1 3.65Å; W531-H549 AromaticContact CZ2-CG 3.43Å; W531-H549 VanDerWaalsContact CZ2-CG 3.43Å; W531-H549 AromaticContact CZ2-ND1 3.2Å; W531-H549 WeakPolarHBondContact CZ2-ND1 3.5Å; W531-H549 HydrophobicContact CZ3-CB 3.75Å; W531-H549 AromaticContact NE1-CD2 3.46Å; W531-H549 PolarHBondContact NE1-CD2 3.35Å; W531-H549 AromaticContact NE1-CE1 3.86Å; W531-H549 AromaticContact NE1-CG 3.85Å; W531-H549 AromaticContact NE1-NE2 3.48Å; W531-H549 PolarHBondContact NE1-NE2 2.64Å |
| 532 | V | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.4 | 166.4 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | Y350 M505 L508 L509 L547 M548 | Y350-V532 CarbonylContact O-C 3.53Å; Y350-V532 WeakPolarHBondContact O-CA 3.48Å; M505-V532 HydrophobicContact CB-CG1 4.32Å; M505-V532 HydrophobicContact CB-CG2 3.84Å; M505-V532 HydrophobicContact CE-CB 4.45Å; M505-V532 HydrophobicContact CE-CG1 4.21Å; M505-V532 HydrophobicContact CE-CG2 3.79Å; M505-V532 HydrophobicContact CG-CG2 4.28Å; L508-V532 HydrophobicContact CD2-CG2 4.02Å; L509-V532 HydrophobicContact CD1-CB 4.1Å; L509-V532 HydrophobicContact CD1-CG1 3.7Å; L509-V532 HydrophobicContact CD2-CB 4.02Å; L509-V532 HydrophobicContact CG-CB 4.13Å; L509-V532 HydrophobicContact CG-CG1 4.14Å; V532-L547 WeakPolarHBondContact O-CA 3.44Å; V532-M548 HydrophobicContact CG2-CB 3.79Å; V532-M548 HydrophobicContact CG2-CG 4.47Å; V532-M548 PolarHBondContact N-O 2.89Å; V532-M548 PolarHBondContact O-N 2.94Å |
| 533 | A | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y350 V351 A366 L370 L546 L547 | Y350-A533 PolarHBondContact O-N 3.02Å; V351-A533 HydrophobicContact CG1-CB 4.38Å; A366-A533 HydrophobicContact CB-CB 4.02Å; L370-A533 HydrophobicContact CB-CB 3.9Å; L370-A533 HydrophobicContact CD2-CB 4.21Å; L370-A533 HydrophobicContact CG-CB 4.47Å; A533-L546 WeakPolarHBondContact CA-O 3.41Å; A533-L547 HydrophobicContact CB-CD2 3.56Å |
| 534 | S | 97.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 123 | 172.8 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | Q362 T545 L546 F764 | Q362-S534 PolarHBondContact NE2-OG 3.16Å; Q362-S534 VanDerWaalsContact NE2-OG 3.16Å; S534-T545 CarbonylContact O-C 3.58Å; S534-T545 WeakPolarHBondContact O-CA 3.34Å; S534-L546 PolarHBondContact N-O 3.05Å; S534-L546 PolarHBondContact O-N 3.49Å; S534-F764 WeakPolarHBondContact OG-CE1 3.24Å; S534-F764 WeakPolarHBondContact OG-CZ 3.32Å |
| 535 | S | 95.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 164.9 | 168.4 | 67.6 | 0 | 0 | 0 | 0 | 109.1 | Q362 | Q362-S535 VanDerWaalsContact CD-O 3.31Å; Q362-S535 VanDerWaalsContact CG-O 3.29Å; Q362-S535 WeakPolarHBondContact CG-O 3.3Å; Q362-S535 VanDerWaalsContact CG-OG 3.29Å; Q362-S535 WeakPolarHBondContact CG-OG 3.22Å; Q362-S535 PolarHBondContact NE2-O 3.39Å; Q362-S535 PolarHBondContact O-OG 3.12Å |
| 536 | G | 94.2 | Very high | 94 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.8 | -9.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P538 S543 R544 F764 | G536-P538 WeakPolarHBondContact O-CD 3.41Å; G536-S543 VanDerWaalsContact C-OG 3.31Å; G536-S543 WeakPolarHBondContact CA-OG 3.32Å; G536-S543 PolarHBondContact N-OG 3.04Å; G536-R544 PolarHBondContact N-O 3.48Å; G536-R544 VanDerWaalsContact N-O 3.16Å; G536-F764 VanDerWaalsContact C-CE2 3.42Å; G536-F764 WeakPolarHBondContact O-CE2 3.39Å |
| 537 | V | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 119.9 | -171.7 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | V539 R544 L546 F764 I769 C772 | V537-V539 PolarHBondContact O-N 2.56Å; V537-R544 PolarHBondContact N-O 3.4Å; V537-R544 PolarHBondContact O-N 2.79Å; V537-L546 HydrophobicContact CG2-CB 4.17Å; V537-F764 HydrophobicContact CB-CE2 4.37Å; V537-F764 HydrophobicContact CB-CZ 4.49Å; V537-F764 HydrophobicContact CG2-CD1 4.16Å; V537-F764 HydrophobicContact CG2-CD2 4.42Å; V537-F764 HydrophobicContact CG2-CE1 3.78Å; V537-F764 HydrophobicContact CG2-CE2 4.05Å; V537-F764 HydrophobicContact CG2-CG 4.44Å; V537-F764 HydrophobicContact CG2-CZ 3.69Å; V537-I769 HydrophobicContact CG1-CG1 4.36Å; V537-C772 HydrophobicContact CG1-CB 3.91Å |
| 538 | P | 92.2 | Very high | 94.6 | Very high | 57 Ų | 57 | 33.5 Ų | 33.5 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125.4 | -173.1 | 29.4 | -34.5 | 0 | 0 | 0 | 111.2 | G536 I769 | G536-P538 WeakPolarHBondContact O-CD 3.41Å; P538-I769 HydrophobicContact CG-CD1 4.08Å; P538-I769 HydrophobicContact CG-CG1 4.17Å |
| 539 | V | 89.4 | Confident | 94.7 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 111.7 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | V537 G541 Q542 R544 C772 N776 | V537-V539 PolarHBondContact O-N 2.56Å; V539-G541 PolarHBondContact O-N 2.97Å; V539-Q542 PolarHBondContact N-O 3.38Å; V539-Q542 PolarHBondContact O-N 3.15Å; V539-R544 HydrophobicContact CB-CG 4.02Å; V539-R544 HydrophobicContact CG2-CB 4.22Å; V539-R544 HydrophobicContact CG2-CG 3.94Å; V539-C772 HydrophobicContact CG2-CB 3.45Å; V539-C772 VanDerWaalsContact CG2-CB 3.45Å; V539-N776 HydrophobicContact CG1-CB 3.87Å; V539-N776 WeakPolarHBondContact CG1-ND2 3.43Å |
| 540 | Y | 85.7 | Confident | 94.9 | Very high | 121 Ų | 121 | 33 Ų | 33 | 48% | 0.475 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 41.8 | -178.9 | -56.2 | -65.5 | 0 | 0 | 0 | 114.2 | Q542 T773 Y777 Y780 | Y540-Q542 PolarHBondContact O-N 3.14Å; Y540-T773 HydrophobicContact CE2-CG2 3.9Å; Y540-T773 WeakPolarHBondContact OH-CG2 3.32Å; Y540-Y777 HydrophobicContact CD2-CD2 4.06Å; Y540-Y777 AromaticContact CD2-CE2 3.94Å; Y540-Y777 HydrophobicContact CD2-CE2 3.94Å; Y540-Y777 AromaticContact CE2-CD2 3.53Å; Y540-Y777 HydrophobicContact CE2-CD2 3.53Å; Y540-Y777 AromaticContact CE2-CE2 3.85Å; Y540-Y777 HydrophobicContact CE2-CE2 3.85Å; Y540-Y780 WeakPolarHBondContact OH-CD2 3.47Å; Y540-Y780 VanDerWaalsContact OH-CE2 3.22Å; Y540-Y780 WeakPolarHBondContact OH-CE2 3.25Å |
| 541 | G | 84.6 | Confident | 94.9 | Very high | 85 Ų | 85 | 29.8 Ų | 29.8 | 88% | 0.876 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -3.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | V539 | V539-G541 PolarHBondContact O-N 2.97Š|
| 542 | Q | 90.3 | Very high | 94.9 | Very high | 104 Ų | 104 | 30.9 Ų | 30.9 | 49% | 0.486 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 150.6 | 175 | -58.1 | -175.3 | 4.6 | 0 | 0 | 111.1 | V539 Y540 R544 | V539-Q542 PolarHBondContact N-O 3.38Å; V539-Q542 PolarHBondContact O-N 3.15Å; Y540-Q542 PolarHBondContact O-N 3.14Å; Q542-R544 VanDerWaalsContact OE1-CZ 3.24Å |
| 543 | S | 91.5 | Very high | 94.7 | Very high | 72 Ų | 72 | 31.5 Ų | 31.5 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 141.3 | 174.4 | -164.1 | 0 | 0 | 0 | 0 | 111.2 | G536 | G536-S543 VanDerWaalsContact C-OG 3.31Å; G536-S543 WeakPolarHBondContact CA-OG 3.32Å; G536-S543 PolarHBondContact N-OG 3.04Å |
| 544 | R | 95.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 157.9 | 177.4 | -66.8 | -67 | -172.9 | -87.2 | -0.7 | 111.2 | R486 F489 G536 V537 V539 Q542 | R486-R544 PolarHBondContact O-NE 2.86Å; F489-R544 HydrophobicContact CD2-CB 4.26Å; F489-R544 HydrophobicContact CD2-CG 4.39Å; F489-R544 HydrophobicContact CE2-CB 4.16Å; F489-R544 HydrophobicContact CE2-CG 3.79Å; G536-R544 PolarHBondContact N-O 3.48Å; G536-R544 VanDerWaalsContact N-O 3.16Å; V537-R544 PolarHBondContact N-O 3.4Å; V537-R544 PolarHBondContact O-N 2.79Å; V539-R544 HydrophobicContact CB-CG 4.02Å; V539-R544 HydrophobicContact CG2-CB 4.22Å; V539-R544 HydrophobicContact CG2-CG 3.94Å; Q542-R544 VanDerWaalsContact OE1-CZ 3.24Å |
| 545 | T | 97.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.7 | 173.3 | -58.3 | 0 | 0 | 0 | 0 | 109.8 | M369 T487 V488 F489 S534 L547 | M369-T545 HydrophobicContact CB-CG2 4.02Å; T487-T545 PolarHBondContact O-N 2.87Å; V488-T545 HydrophobicContact CG1-CG2 4.41Å; F489-T545 PolarHBondContact N-O 3.39Å; S534-T545 CarbonylContact O-C 3.58Å; S534-T545 WeakPolarHBondContact O-CA 3.34Å; T545-L547 HydrophobicContact CG2-CD2 3.81Å |
| 546 | L | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.2 | 173.1 | -172.4 | 56.4 | 0 | 0 | 0 | 109.7 | C491 L508 A533 S534 V537 M548 Y768 L771 C772 | C491-L546 HydrophobicContact CB-CD1 3.92Å; L508-L546 HydrophobicContact CD1-CD2 4.23Å; L508-L546 HydrophobicContact CD2-CB 4.43Å; L508-L546 HydrophobicContact CD2-CD2 4.24Å; L508-L546 HydrophobicContact CD2-CG 4.4Å; A533-L546 WeakPolarHBondContact CA-O 3.41Å; S534-L546 PolarHBondContact N-O 3.05Å; S534-L546 PolarHBondContact O-N 3.49Å; V537-L546 HydrophobicContact CG2-CB 4.17Å; L546-M548 HydrophobicContact CD2-CG 4.06Å; L546-M548 HydrophobicContact CD2-SD 4.04Å; L546-M548 HydrophobicContact CG-CG 3.94Å; L546-Y768 HydrophobicContact CD2-CD1 4.45Å; L546-L771 HydrophobicContact CD2-CB 4.44Å; L546-C772 VanDerWaalsContact CB-SG 3.57Å |
| 547 | L | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.7 | 169.1 | -46.4 | -176.9 | 0 | 0 | 0 | 107.8 | L370 Y373 V488 F489 C491 W531 V532 A533 T545 | L370-L547 HydrophobicContact CB-CD2 4.14Å; L370-L547 HydrophobicContact CD1-CB 4.49Å; L370-L547 HydrophobicContact CD1-CD1 4.03Å; L370-L547 HydrophobicContact CD1-CD2 4.03Å; L370-L547 HydrophobicContact CD1-CG 4.41Å; Y373-L547 HydrophobicContact CD1-CD1 3.77Å; Y373-L547 HydrophobicContact CD2-CD1 4.14Å; Y373-L547 HydrophobicContact CE1-CD1 4.48Å; Y373-L547 HydrophobicContact CG-CD1 3.59Å; V488-L547 HydrophobicContact CG1-CD1 3.5Å; V488-L547 HydrophobicContact CG1-CD2 4.14Å; V488-L547 HydrophobicContact CG1-CG 3.66Å; F489-L547 PolarHBondContact O-N 3.4Å; C491-L547 WeakPolarHBondContact CA-O 3.43Å; C491-L547 WeakPolarHBondContact CB-O 3.31Å; C491-L547 PolarHBondContact N-O 2.69Å; W531-L547 HydrophobicContact CZ3-CB 4.4Å; V532-L547 WeakPolarHBondContact O-CA 3.44Å; A533-L547 HydrophobicContact CB-CD2 3.56Å; T545-L547 HydrophobicContact CG2-CD2 3.81Å |
| 548 | M | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.8 | 174.8 | -60.3 | -179.1 | 72.8 | 0 | 0 | 109.9 | C491 V493 L504 M505 L508 W531 V532 L546 Y768 L771 | C491-M548 HydrophobicContact CB-CG 4.24Å; C491-M548 CarbonylContact O-C 3.58Å; C491-M548 WeakPolarHBondContact O-CA 3.25Å; V493-M548 HydrophobicContact CG2-CB 4.19Å; V493-M548 HydrophobicContact CG2-CE 3.48Å; V493-M548 VanDerWaalsContact CG2-CE 3.48Å; L504-M548 HydrophobicContact CD2-CE 4.29Å; L504-M548 HydrophobicContact CG-CE 4.31Å; M505-M548 HydrophobicContact CE-CB 3.99Å; M505-M548 WeakPolarHBondContact CE-O 3.45Å; M505-M548 HydrophobicContact CG-CB 4.09Å; M505-M548 HydrophobicContact CG-CE 4.05Å; M505-M548 HydrophobicContact CG-SD 4.41Å; M505-M548 HydrophobicContact SD-CB 4.42Å; L508-M548 HydrophobicContact CB-SD 4.31Å; L508-M548 HydrophobicContact CD2-CG 4.04Å; L508-M548 HydrophobicContact CD2-SD 3.74Å; W531-M548 WeakPolarHBondContact CA-O 3.42Å; V532-M548 HydrophobicContact CG2-CB 3.79Å; V532-M548 HydrophobicContact CG2-CG 4.47Å; V532-M548 PolarHBondContact N-O 2.89Å; V532-M548 PolarHBondContact O-N 2.94Å; L546-M548 HydrophobicContact CD2-CG 4.06Å; L546-M548 HydrophobicContact CD2-SD 4.04Å; L546-M548 HydrophobicContact CG-CG 3.94Å; M548-Y768 HydrophobicContact SD-CD1 4.18Å; M548-Y768 HydrophobicContact SD-CE1 4.17Å; M548-L771 HydrophobicContact CE-CD1 4.16Å |
| 549 | H | 98.5 | Very high | 93.9 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.9 | 176.9 | -178.5 | -166.4 | 0 | 0 | 0 | 110.4 | Y490 C491 V493 N530 W531 I551 | Y490-H549 HydrophobicContact CE2-CB 3.65Å; Y490-H549 PolarHBondContact OH-ND1 3.45Å; C491-H549 PolarHBondContact O-N 3.39Å; V493-H549 PolarHBondContact N-O 3.25Å; N530-H549 PolarHBondContact ND2-NE2 3.09Å; N530-H549 CarbonylContact O-C 3.53Å; N530-H549 VanDerWaalsContact O-CA 3.31Å; N530-H549 WeakPolarHBondContact O-CA 3.31Å; N530-H549 PolarHBondContact O-CD2 2.86Å; W531-H549 AromaticContact CD1-CD2 3.96Å; W531-H549 HydrophobicContact CD2-CB 3.92Å; W531-H549 AromaticContact CD2-CG 3.95Å; W531-H549 AromaticContact CE2-CD2 3.57Å; W531-H549 AromaticContact CE2-CE1 3.88Å; W531-H549 AromaticContact CE2-CG 3.45Å; W531-H549 VanDerWaalsContact CE2-CG 3.45Å; W531-H549 AromaticContact CE2-ND1 3.65Å; W531-H549 AromaticContact CE2-NE2 3.86Å; W531-H549 HydrophobicContact CE3-CB 3.83Å; W531-H549 HydrophobicContact CH2-CB 3.75Å; W531-H549 AromaticContact CH2-CG 3.89Å; W531-H549 AromaticContact CH2-ND1 3.76Å; W531-H549 HydrophobicContact CZ2-CB 3.82Å; W531-H549 AromaticContact CZ2-CD2 3.97Å; W531-H549 AromaticContact CZ2-CE1 3.65Å; W531-H549 AromaticContact CZ2-CG 3.43Å; W531-H549 VanDerWaalsContact CZ2-CG 3.43Å; W531-H549 AromaticContact CZ2-ND1 3.2Å; W531-H549 WeakPolarHBondContact CZ2-ND1 3.5Å; W531-H549 HydrophobicContact CZ3-CB 3.75Å; W531-H549 AromaticContact NE1-CD2 3.46Å; W531-H549 PolarHBondContact NE1-CD2 3.35Å; W531-H549 AromaticContact NE1-CE1 3.86Å; W531-H549 AromaticContact NE1-CG 3.85Å; W531-H549 AromaticContact NE1-NE2 3.48Å; W531-H549 PolarHBondContact NE1-NE2 2.64Å; H549-I551 PolarHBondContact O-N 3.26Å |
| 550 | E | 98.3 | Very high | 94.1 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 118.9 | 174.2 | -164.1 | 171.6 | 157.6 | 0 | 0 | 109.9 | K501 T502 M505 N530 | K501-E550 HydrophobicContact CB-CG 3.95Å; K501-E550 HydrophobicContact CD-CG 4.11Å; K501-E550 VanDerWaalsContact CE-OE1 3.22Å; K501-E550 WeakPolarHBondContact CE-OE1 3.46Å; T502-E550 WeakPolarHBondContact CA-OE2 3.26Å; T502-E550 WeakPolarHBondContact CB-OE2 3.27Å; T502-E550 PolarHBondContact N-OE2 3.21Å; T502-E550 PolarHBondContact OG1-OE1 3.03Å; T502-E550 PolarHBondContact OG1-OE2 3.3Å; M505-E550 HydrophobicContact CE-CB 4.1Å; M505-E550 HydrophobicContact SD-CB 3.51Å; M505-E550 VanDerWaalsContact SD-CB 3.51Å; M505-E550 HydrophobicContact SD-CG 4.22Å; N530-E550 HydrophobicContact CB-CB 4.15Å; N530-E550 PolarHBondContact O-N 2.79Å |
| 551 | I | 97.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 124.8 | 172.3 | -50.4 | -57 | 0 | 0 | 0 | 108.4 | R492 V493 Y494 K501 H549 A555 | R492-I551 HydrophobicContact CB-CG1 4.14Å; R492-I551 HydrophobicContact CG-CD1 4.25Å; R492-I551 HydrophobicContact CG-CG1 4.26Å; V493-I551 PolarHBondContact O-N 3.21Å; Y494-I551 HydrophobicContact CD1-CB 3.95Å; Y494-I551 HydrophobicContact CD1-CG1 4.29Å; Y494-I551 HydrophobicContact CD1-CG2 4.11Å; Y494-I551 HydrophobicContact CE1-CB 3.9Å; Y494-I551 HydrophobicContact CE1-CG1 3.87Å; Y494-I551 HydrophobicContact CE1-CG2 3.83Å; K501-I551 WeakPolarHBondContact CE-O 3.46Å; H549-I551 PolarHBondContact O-N 3.26Å; I551-A555 HydrophobicContact CG2-CB 3.91Å |
| 552 | S | 96.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -64 | 151.5 | 173.9 | 75.3 | 0 | 0 | 0 | 0 | 110.4 | S554 A555 G556 | S552-S554 VanDerWaalsContact C-N 3.26Å; S552-S554 PolarHBondContact O-N 2.91Å; S552-S554 PolarHBondContact OG-OG 2.91Å; S552-A555 PolarHBondContact O-N 2.87Å; S552-A555 VanDerWaalsContact O-N 3.11Å; S552-A555 VanDerWaalsContact OG-CB 3.22Å; S552-A555 WeakPolarHBondContact OG-CB 3.03Å; S552-A555 PolarHBondContact OG-N 3.11Å; S552-G556 PolarHBondContact O-N 3.39Å |
| 553 | A | 94.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.5 | -41.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R497 G556 E557 Y584 | R497-A553 HydrophobicContact CG-CB 4.09Å; A553-G556 PolarHBondContact O-N 2.7Å; A553-E557 WeakPolarHBondContact O-CG 3.15Å; A553-E557 PolarHBondContact O-N 2.84Å; A553-Y584 VanDerWaalsContact CA-OH 3.31Å; A553-Y584 WeakPolarHBondContact CA-OH 3.22Å; A553-Y584 HydrophobicContact CB-CE2 4Å; A553-Y584 PolarHBondContact O-OH 2.82Å |
| 554 | S | 94.5 | Very high | 94.5 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.5 | -41.1 | 177.2 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | S552 G556 E557 Q558 | S552-S554 VanDerWaalsContact C-N 3.26Å; S552-S554 PolarHBondContact O-N 2.91Å; S552-S554 PolarHBondContact OG-OG 2.91Å; S554-G556 VanDerWaalsContact C-N 3.28Å; S554-G556 PolarHBondContact O-N 3.31Å; S554-E557 PolarHBondContact O-N 2.99Å; S554-Q558 WeakPolarHBondContact O-CG 3.4Å; S554-Q558 PolarHBondContact O-N 2.89Å |
| 555 | A | 93.7 | Very high | 94.3 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I551 S552 Q558 M559 | I551-A555 HydrophobicContact CG2-CB 3.91Å; S552-A555 PolarHBondContact O-N 2.87Å; S552-A555 VanDerWaalsContact O-N 3.11Å; S552-A555 VanDerWaalsContact OG-CB 3.22Å; S552-A555 WeakPolarHBondContact OG-CB 3.03Å; S552-A555 PolarHBondContact OG-N 3.11Å; A555-Q558 PolarHBondContact O-N 2.69Å; A555-M559 WeakPolarHBondContact O-CB 3.27Å; A555-M559 PolarHBondContact O-N 3.29Å; A555-M559 VanDerWaalsContact O-N 3.13Å |
| 556 | G | 92 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S552 A553 S554 Q558 M559 I588 | S552-G556 PolarHBondContact O-N 3.39Å; A553-G556 PolarHBondContact O-N 2.7Å; S554-G556 VanDerWaalsContact C-N 3.28Å; S554-G556 PolarHBondContact O-N 3.31Å; G556-Q558 VanDerWaalsContact C-N 3.34Å; G556-M559 WeakPolarHBondContact O-CG 3.36Å; G556-I588 VanDerWaalsContact O-CD1 3.29Å; G556-I588 WeakPolarHBondContact O-CD1 3.43Å |
| 557 | E | 91.7 | Very high | 93.7 | Very high | 122 Ų | 122 | 47.6 Ų | 47.6 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -72.7 | -28.3 | 177.5 | -72 | 168.4 | -179.9 | 0 | 0 | 112.8 | A553 S554 Y584 | A553-E557 WeakPolarHBondContact O-CG 3.15Å; A553-E557 PolarHBondContact O-N 2.84Å; S554-E557 PolarHBondContact O-N 2.99Å; E557-Y584 HydrophobicContact CG-CE2 3.82Å; E557-Y584 WeakPolarHBondContact OE1-CE2 3.31Å |
| 558 | Q | 91 | Very high | 93.5 | Very high | 160 Ų | 160 | 48.4 Ų | 48.4 | 75% | 0.748 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -103.6 | 4.6 | -174.3 | -63.2 | 174.9 | -2.6 | 0 | 0 | 113.5 | S554 A555 G556 | S554-Q558 WeakPolarHBondContact O-CG 3.4Å; S554-Q558 PolarHBondContact O-N 2.89Å; A555-Q558 PolarHBondContact O-N 2.69Å; G556-Q558 VanDerWaalsContact C-N 3.34Å |
| 559 | M | 92.7 | Very high | 93.3 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.069 | 28% | 0.278 | C | S | . | . | trans | -71.2 | 151.2 | -176.9 | 72.1 | -176.7 | 173.6 | 0 | 0 | 112.5 | Y494 A555 G556 A564 I588 F592 Y593 | Y494-M559 HydrophobicContact CE1-CE 3.84Å; Y494-M559 HydrophobicContact CE1-SD 3.64Å; Y494-M559 PolarHBondContact OH-SD 2.97Å; A555-M559 WeakPolarHBondContact O-CB 3.27Å; A555-M559 PolarHBondContact O-N 3.29Å; A555-M559 VanDerWaalsContact O-N 3.13Å; G556-M559 WeakPolarHBondContact O-CG 3.36Å; M559-A564 HydrophobicContact CE-CB 3.87Å; M559-A564 HydrophobicContact SD-CB 4.08Å; M559-I588 HydrophobicContact CE-CG2 4.2Å; M559-F592 HydrophobicContact CE-CB 3.73Å; M559-F592 HydrophobicContact CE-CD1 3.93Å; M559-F592 HydrophobicContact CE-CD2 3.3Å; M559-F592 HydrophobicContact CE-CE1 4.35Å; M559-F592 HydrophobicContact CE-CE2 3.77Å; M559-F592 HydrophobicContact CE-CG 3.38Å; M559-F592 HydrophobicContact CE-CZ 4.27Å; M559-F592 HydrophobicContact CG-CD1 4.27Å; M559-F592 HydrophobicContact CG-CE1 3.91Å; M559-F592 HydrophobicContact CG-CE2 4.17Å; M559-F592 HydrophobicContact CG-CZ 3.84Å; M559-F592 WeakPolarHBondContact O-CE1 3.3Å; M559-F592 WeakPolarHBondContact O-CZ 3.22Å; M559-Y593 HydrophobicContact CE-CE2 4.15Å | ||
| 560 | S | 92.7 | Very high | 93.2 | Very high | 51 Ų | 51 | 47 Ų | 47 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | trans | -79.3 | 158.6 | 171.5 | 67.6 | 0 | 0 | 0 | 0 | 112 | N562 E563 A564 | S560-N562 VanDerWaalsContact C-N 3.26Å; S560-N562 PolarHBondContact O-N 2.8Å; S560-E563 WeakPolarHBondContact CB-OE2 3.33Å; S560-E563 PolarHBondContact N-OE2 3.18Å; S560-E563 PolarHBondContact O-N 3.47Å; S560-E563 VanDerWaalsContact OG-CG 3.23Å; S560-E563 WeakPolarHBondContact OG-CG 3.19Å; S560-E563 PolarHBondContact OG-N 2.68Å; S560-E563 PolarHBondContact OG-OE2 2.94Å; S560-A564 PolarHBondContact O-N 3.37Å; S560-A564 VanDerWaalsContact O-N 3.13Å | ||
| 561 | A | 88.9 | Confident | 93.2 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 48% | 0.479 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E563 A564 L565 | A561-E563 VanDerWaalsContact C-N 3.35Å; A561-E563 PolarHBondContact O-N 2.82Å; A561-A564 PolarHBondContact O-N 3.44Å; A561-L565 WeakPolarHBondContact O-CB 3.36Å; A561-L565 VanDerWaalsContact O-CG 3.24Å; A561-L565 WeakPolarHBondContact O-CG 3.45Å; A561-L565 PolarHBondContact O-N 2.8Å |
| 562 | N | 89.5 | Confident | 93.3 | Very high | 132 Ų | 132 | 44.5 Ų | 44.5 | 71% | 0.706 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 178.6 | -71.6 | -17.1 | 0 | 0 | 0 | 111.8 | S560 L565 A566 | S560-N562 VanDerWaalsContact C-N 3.26Å; S560-N562 PolarHBondContact O-N 2.8Å; N562-L565 PolarHBondContact O-N 2.95Å; N562-A566 WeakPolarHBondContact O-CB 3.29Å; N562-A566 PolarHBondContact O-N 3.03Å |
| 563 | E | 91.9 | Very high | 93.4 | Very high | 89 Ų | 89 | 41.8 Ų | 41.8 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 176.4 | -72.9 | 168.5 | 129.9 | 0 | 0 | 112.2 | R492 S560 A561 A566 | R492-E563 PolarHBondContact NH1-O 3.45Å; R492-E563 VanDerWaalsContact NH1-O 3.1Å; S560-E563 WeakPolarHBondContact CB-OE2 3.33Å; S560-E563 PolarHBondContact N-OE2 3.18Å; S560-E563 PolarHBondContact O-N 3.47Å; S560-E563 VanDerWaalsContact OG-CG 3.23Å; S560-E563 WeakPolarHBondContact OG-CG 3.19Å; S560-E563 PolarHBondContact OG-N 2.68Å; S560-E563 PolarHBondContact OG-OE2 2.94Å; A561-E563 VanDerWaalsContact C-N 3.35Å; A561-E563 PolarHBondContact O-N 2.82Å; E563-A566 PolarHBondContact O-N 3.33Å |
| 564 | A | 90.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M559 S560 A561 A566 V567 F592 Y593 | M559-A564 HydrophobicContact CE-CB 3.87Å; M559-A564 HydrophobicContact SD-CB 4.08Å; S560-A564 PolarHBondContact O-N 3.37Å; S560-A564 VanDerWaalsContact O-N 3.13Å; A561-A564 PolarHBondContact O-N 3.44Å; A564-A566 VanDerWaalsContact C-N 3.32Å; A564-A566 PolarHBondContact O-N 3.05Å; A564-V567 VanDerWaalsContact O-CG1 3.24Å; A564-V567 WeakPolarHBondContact O-CG1 3.37Å; A564-F592 HydrophobicContact CB-CB 4.02Å; A564-F592 HydrophobicContact CB-CD1 4.26Å; A564-F592 HydrophobicContact CB-CG 4.42Å; A564-Y593 HydrophobicContact CB-CE1 4.21Å; A564-Y593 WeakPolarHBondContact O-CE1 3.39Å; A564-Y593 PolarHBondContact O-OH 3.27Å |
| 565 | L | 90.6 | Very high | 93.7 | Very high | 83 Ų | 83 | 40 Ų | 40 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -79.7 | -11.4 | -179.5 | -65.1 | 174.7 | 0 | 0 | 0 | 113.9 | A561 N562 V567 T596 V598 | A561-L565 WeakPolarHBondContact O-CB 3.36Å; A561-L565 VanDerWaalsContact O-CG 3.24Å; A561-L565 WeakPolarHBondContact O-CG 3.45Å; A561-L565 PolarHBondContact O-N 2.8Å; N562-L565 PolarHBondContact O-N 2.95Å; L565-V567 PolarHBondContact O-N 2.98Å; L565-T596 HydrophobicContact CD2-CG2 3.76Å; L565-V598 HydrophobicContact CD2-CG2 4.03Å |
| 566 | A | 90.6 | Very high | 93.8 | Very high | 45 Ų | 45 | 37.9 Ų | 37.9 | 37% | 0.372 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 5.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R475 Y490 N562 E563 A564 | R475-A566 PolarHBondContact NH1-O 3.38Å; R475-A566 PolarHBondContact NH2-O 3.18Å; Y490-A566 WeakPolarHBondContact CD1-O 3.33Å; N562-A566 WeakPolarHBondContact O-CB 3.29Å; N562-A566 PolarHBondContact O-N 3.03Å; E563-A566 PolarHBondContact O-N 3.33Å; A564-A566 VanDerWaalsContact C-N 3.32Å; A564-A566 PolarHBondContact O-N 3.05Å |
| 567 | V | 93.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | trans | -103.5 | 157.2 | 178.7 | 74.9 | 0 | 0 | 0 | 0 | 112.2 | R475 Y490 R492 A564 L565 V569 Y593 V598 | R475-V567 PolarHBondContact NH1-O 2.68Å; Y490-V567 HydrophobicContact CD1-CB 4.16Å; Y490-V567 HydrophobicContact CD1-CG2 4Å; Y490-V567 HydrophobicContact CD2-CG2 4.44Å; Y490-V567 HydrophobicContact CE1-CB 4.29Å; Y490-V567 HydrophobicContact CE1-CG2 4.28Å; Y490-V567 HydrophobicContact CG-CG2 4.11Å; Y490-V567 WeakPolarHBondContact O-CG2 3.28Å; R492-V567 HydrophobicContact CB-CG2 3.97Å; R492-V567 HydrophobicContact CG-CB 4.2Å; R492-V567 HydrophobicContact CG-CG2 3.8Å; R492-V567 VanDerWaalsContact N-CG2 3.32Å; A564-V567 VanDerWaalsContact O-CG1 3.24Å; A564-V567 WeakPolarHBondContact O-CG1 3.37Å; L565-V567 PolarHBondContact O-N 2.98Å; V567-V569 WeakPolarHBondContact CG2-O 3.4Å; V567-Y593 HydrophobicContact CG1-CE1 4.29Å; V567-V598 HydrophobicContact CG1-CG1 3.53Å; V567-V598 HydrophobicContact CG1-CG2 4.46Å | ||
| 568 | D | 93.9 | Very high | 94.3 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -88.9 | -28 | 173.5 | -58.3 | -60.3 | 0 | 0 | 0 | 112 | R475 R486 F489 Y490 P599 A775 | R475-D568 WeakPolarHBondContact CD-OD1 3.23Å; R475-D568 IonicContact CZ-OD1 3.98Å; R475-D568 VanDerWaalsContact CZ-OD1 3.23Å; R475-D568 IonicContact NE-OD1 2.64Å; R475-D568 PolarHBondContact NE-OD1 2.73Å; R475-D568 IonicContact NH2-OD1 2.8Å; R475-D568 IonicContact NH2-OD2 3.2Å; R486-D568 IonicContact NH1-OD1 3.71Å; F489-D568 HydrophobicContact CB-CB 4.46Å; F489-D568 HydrophobicContact CD1-CB 4.28Å; Y490-D568 PolarHBondContact N-OD2 3.27Å; Y490-D568 WeakPolarHBondContact O-CB 3.48Å; Y490-D568 PolarHBondContact O-N 2.85Å; D568-P599 VanDerWaalsContact O-CD 3.3Å; D568-P599 WeakPolarHBondContact O-CD 3.49Å; D568-A775 HydrophobicContact CB-CB 4.01Å |
| 569 | V | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 139.9 | 175.3 | 61.2 | 0 | 0 | 0 | 0 | 112 | Y490 C491 R492 V567 P599 L771 M774 A775 | Y490-V569 PolarHBondContact O-N 3.49Å; C491-V569 VanDerWaalsContact CA-O 3.27Å; C491-V569 WeakPolarHBondContact CA-O 3.43Å; C491-V569 HydrophobicContact CB-CG1 3.66Å; R492-V569 PolarHBondContact N-O 3.37Å; V567-V569 WeakPolarHBondContact CG2-O 3.4Å; V569-P599 HydrophobicContact CG2-CB 4.29Å; V569-L771 HydrophobicContact CG1-CB 4.48Å; V569-L771 HydrophobicContact CG1-CD2 4.29Å; V569-L771 HydrophobicContact CG2-CD2 3.76Å; V569-M774 HydrophobicContact CG2-CB 4.31Å; V569-M774 HydrophobicContact CG2-CE 4.49Å; V569-A775 HydrophobicContact CB-CB 4.14Å; V569-A775 HydrophobicContact CG1-CB 4.03Å |
| 570 | A | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y494 Y593 V598 P599 C600 L601 | Y494-A570 HydrophobicContact CE2-CB 4.4Å; A570-Y593 HydrophobicContact CB-CD1 4.33Å; A570-Y593 HydrophobicContact CB-CD2 4.36Å; A570-Y593 HydrophobicContact CB-CE1 3.89Å; A570-Y593 HydrophobicContact CB-CE2 3.93Å; A570-V598 HydrophobicContact CB-CG1 4.32Å; A570-P599 PolarHBondContact N-O 3.09Å; A570-C600 WeakPolarHBondContact O-CA 3.15Å; A570-L601 PolarHBondContact O-N 3.38Å |
| 571 | C | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.3 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | R492 V493 Y494 L771 | R492-C571 PolarHBondContact O-N 3Å; V493-C571 WeakPolarHBondContact CA-O 3.41Å; V493-C571 HydrophobicContact CG2-CB 4.32Å; Y494-C571 PolarHBondContact N-O 2.95Å; C571-L771 HydrophobicContact CB-CD1 4.42Å; C571-L771 HydrophobicContact CB-CD2 3.97Å |
| 572 | L | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 96.3 | -172.5 | -65.4 | 177.9 | 0 | 0 | 0 | 109.7 | Y494 V585 I588 F589 C600 L601 F602 V603 | Y494-L572 HydrophobicContact CD2-CD2 4.08Å; Y494-L572 HydrophobicContact CG-CD2 4.34Å; L572-V585 HydrophobicContact CB-CB 4.04Å; L572-V585 HydrophobicContact CB-CG1 4.24Å; L572-V585 HydrophobicContact CD2-CB 4.42Å; L572-I588 HydrophobicContact CD2-CB 4.45Å; L572-I588 HydrophobicContact CD2-CG2 3.91Å; L572-F589 HydrophobicContact CD1-CB 3.82Å; L572-F589 HydrophobicContact CD1-CD2 4.22Å; L572-F589 HydrophobicContact CD1-CG 4.4Å; L572-C600 HydrophobicContact CD1-CB 4.07Å; L572-L601 PolarHBondContact N-O 3.3Å; L572-F602 HydrophobicContact CB-CD1 4.04Å; L572-F602 HydrophobicContact CB-CD2 4.46Å; L572-F602 HydrophobicContact CB-CE1 4.21Å; L572-F602 HydrophobicContact CB-CG 4.19Å; L572-F602 HydrophobicContact CB-CZ 4.48Å; L572-F602 HydrophobicContact CD1-CD1 4.48Å; L572-F602 HydrophobicContact CD1-CD2 3.97Å; L572-F602 HydrophobicContact CD1-CE1 4.05Å; L572-F602 HydrophobicContact CD1-CE2 3.46Å; L572-F602 VanDerWaalsContact CD1-CE2 3.46Å; L572-F602 HydrophobicContact CD1-CG 4.46Å; L572-F602 HydrophobicContact CD1-CZ 3.52Å; L572-F602 CarbonylContact O-C 3.54Å; L572-F602 WeakPolarHBondContact O-CA 3.46Å; L572-V603 PolarHBondContact O-N 2.87Å |
| 573 | V | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.8 | -171.2 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | V493 Y494 G495 V499 L504 V585 V603 A605 | V493-V573 HydrophobicContact CG1-CG2 3.68Å; Y494-V573 WeakPolarHBondContact O-CB 3.34Å; Y494-V573 PolarHBondContact O-N 3.31Å; G495-V573 VanDerWaalsContact CA-O 3.22Å; G495-V573 WeakPolarHBondContact CA-O 3.36Å; V499-V573 HydrophobicContact CG2-CB 4.3Å; V499-V573 HydrophobicContact CG2-CG1 4.09Å; L504-V573 HydrophobicContact CD2-CG2 3.67Å; V573-V585 VanDerWaalsContact O-CG1 3.26Å; V573-V585 WeakPolarHBondContact O-CG1 3.37Å; V573-V603 WeakPolarHBondContact CA-O 3.49Å; V573-V603 HydrophobicContact CG2-CB 4.31Å; V573-A605 HydrophobicContact CG1-CB 3.61Å |
| 574 | Y | 98.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 25.7 Ų | 25.7 | 6% | 0.063 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 161.7 | 169 | 75.8 | -82.1 | 0 | 0 | 0 | 110.1 | V576 F582 V603 A604 A605 Q614 I632 | Y574-V576 HydrophobicContact CE2-CG1 4.22Å; Y574-F582 AromaticContact CD1-CD2 3.9Å; Y574-F582 HydrophobicContact CD1-CD2 3.9Å; Y574-F582 HydrophobicContact CD2-CB 4.1Å; Y574-F582 HydrophobicContact CD2-CD2 4.33Å; Y574-F582 HydrophobicContact CE1-CD2 4.18Å; Y574-F582 HydrophobicContact CG-CB 4.18Å; Y574-F582 AromaticContact CG-CD2 3.97Å; Y574-F582 HydrophobicContact CG-CD2 3.97Å; Y574-V603 WeakPolarHBondContact CD1-O 3.43Å; Y574-V603 PolarHBondContact N-O 3.41Å; Y574-A604 HydrophobicContact CE1-CB 3.97Å; Y574-A604 HydrophobicContact CE2-CB 4.41Å; Y574-A605 WeakPolarHBondContact O-CB 3.43Å; Y574-A605 PolarHBondContact O-N 3.05Å; Y574-Q614 HydrophobicContact CD2-CG 4.44Å; Y574-Q614 HydrophobicContact CE2-CG 4.23Å; Y574-I632 HydrophobicContact CE1-CD1 4.22Å; Y574-I632 HydrophobicContact CE1-CG2 4.25Å |
| 575 | D | 97.6 | Very high | 96 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.8 | -177.2 | 176.5 | -7 | 0 | 0 | 0 | 109.5 | V499 S577 D578 S581 K606 Q614 | V499-D575 HydrophobicContact CB-CB 3.97Å; V499-D575 HydrophobicContact CG1-CB 4.02Å; D575-S577 VanDerWaalsContact CG-OG 3.27Å; D575-S577 PolarHBondContact O-N 2.99Å; D575-S577 VanDerWaalsContact O-N 3.16Å; D575-S577 WeakPolarHBondContact OD1-CB 3.41Å; D575-S577 PolarHBondContact OD1-N 2.9Å; D575-S577 PolarHBondContact OD1-OG 3.27Å; D575-S577 PolarHBondContact OD2-OG 3.24Å; D575-D578 HydrophobicContact CB-CB 3.99Å; D575-D578 PolarHBondContact O-N 3.17Å; D575-D578 VanDerWaalsContact O-N 3.15Å; D575-D578 VanDerWaalsContact O-O 3.08Å; D575-S581 PolarHBondContact N-OG 3.12Å; D575-S581 PolarHBondContact O-OG 3.43Å; D575-K606 WeakPolarHBondContact OD2-CD 3.31Å; D575-K606 WeakPolarHBondContact OD2-CE 3.39Å; D575-K606 IonicContact OD2-NZ 2.78Å; D575-K606 PolarHBondContact OD2-NZ 3.01Å; D575-Q614 PolarHBondContact O-NE2 2.8Å |
| 576 | V | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.1 | -177.1 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | Y574 A604 A605 K606 H611 V612 | Y574-V576 HydrophobicContact CE2-CG1 4.22Å; V576-A604 HydrophobicContact CG1-CB 3.61Å; V576-A605 WeakPolarHBondContact CG2-O 3.26Å; V576-A605 PolarHBondContact N-O 3.45Å; V576-A605 VanDerWaalsContact N-O 3.1Å; V576-K606 WeakPolarHBondContact CG2-O 3.22Å; V576-H611 VanDerWaalsContact CG1-CE1 3.46Å; V576-H611 WeakPolarHBondContact CG1-CE1 3.46Å; V576-H611 CarbonylContact O-C 3.47Å; V576-H611 WeakPolarHBondContact O-CA 3.22Å; V576-V612 WeakPolarHBondContact O-CG2 3.48Å; V576-V612 PolarHBondContact O-N 3Å |
| 577 | S | 96.8 | Very high | 96.6 | Very high | 39 Ų | 39 | 22.2 Ų | 22.2 | 27% | 0.273 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -13.4 | 178.5 | 71 | 0 | 0 | 0 | 0 | 113.7 | D575 Q609 V612 | D575-S577 VanDerWaalsContact CG-OG 3.27Å; D575-S577 PolarHBondContact O-N 2.99Å; D575-S577 VanDerWaalsContact O-N 3.16Å; D575-S577 WeakPolarHBondContact OD1-CB 3.41Å; D575-S577 PolarHBondContact OD1-N 2.9Å; D575-S577 PolarHBondContact OD1-OG 3.27Å; D575-S577 PolarHBondContact OD2-OG 3.24Å; S577-Q609 VanDerWaalsContact CB-OE1 3.31Å; S577-Q609 PolarHBondContact OG-OE1 2.84Å; S577-V612 WeakPolarHBondContact O-CG2 3.16Å |
| 578 | D | 96.7 | Very high | 96.7 | Very high | 59 Ų | 59 | 22.3 Ų | 22.3 | 32% | 0.316 | 11% | 0.111 | S | C | . | . | trans | -109.3 | 111.8 | 179.9 | 176.8 | 5.9 | 0 | 0 | 0 | 110.1 | D575 E580 S581 Q614 | D575-D578 HydrophobicContact CB-CB 3.99Å; D575-D578 PolarHBondContact O-N 3.17Å; D575-D578 VanDerWaalsContact O-N 3.15Å; D575-D578 VanDerWaalsContact O-O 3.08Å; D578-E580 PolarHBondContact O-N 3.27Å; D578-E580 PolarHBondContact OD1-N 2.74Å; D578-S581 PolarHBondContact O-N 2.93Å; D578-S581 PolarHBondContact O-OG 3.19Å; D578-Q614 PolarHBondContact O-NE2 2.91Å; D578-Q614 PolarHBondContact O-OE1 2.83Å | ||
| 579 | A | 95.6 | Very high | 96.8 | Very high | 24 Ų | 24 | 22 Ų | 22 | 20% | 0.198 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | V612 I613 Q614 N615 | A579-V612 HydrophobicContact CB-CG2 3.94Å; A579-I613 VanDerWaalsContact CB-O 3.32Å; A579-I613 WeakPolarHBondContact CB-O 3.44Å; A579-Q614 CarbonylContact O-C 3.58Å; A579-Q614 WeakPolarHBondContact O-CA 3.42Å; A579-N615 PolarHBondContact O-N 3.34Å |
| 580 | E | 94.5 | Very high | 96.8 | Very high | 96 Ų | 96 | 24.2 Ų | 24.2 | 45% | 0.449 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -12.1 | -177.6 | -65.5 | -60.3 | 142.1 | 0 | 0 | 113 | D578 F582 R583 N615 | D578-E580 PolarHBondContact O-N 3.27Å; D578-E580 PolarHBondContact OD1-N 2.74Å; E580-F582 PolarHBondContact O-N 2.9Å; E580-R583 WeakPolarHBondContact O-CB 3.46Å; E580-R583 PolarHBondContact O-N 3.45Å; E580-N615 WeakPolarHBondContact OE1-CB 3.5Å; E580-N615 PolarHBondContact OE1-ND2 2.85Å |
| 581 | S | 96.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.3 | -34.4 | -170.2 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | D575 D578 Y584 Q614 | D575-S581 PolarHBondContact N-OG 3.12Å; D575-S581 PolarHBondContact O-OG 3.43Å; D578-S581 PolarHBondContact O-N 2.93Å; D578-S581 PolarHBondContact O-OG 3.19Å; S581-Y584 PolarHBondContact O-N 3.43Å; S581-Q614 PolarHBondContact OG-OE1 3.47Å |
| 582 | F | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -35 | 178.9 | -179.5 | -107.7 | 0 | 0 | 0 | 112.9 | Y574 E580 Y584 V585 A586 F602 Q614 Y616 P620 M623 | Y574-F582 AromaticContact CD1-CD2 3.9Å; Y574-F582 HydrophobicContact CD1-CD2 3.9Å; Y574-F582 HydrophobicContact CD2-CB 4.1Å; Y574-F582 HydrophobicContact CD2-CD2 4.33Å; Y574-F582 HydrophobicContact CE1-CD2 4.18Å; Y574-F582 HydrophobicContact CG-CB 4.18Å; Y574-F582 AromaticContact CG-CD2 3.97Å; Y574-F582 HydrophobicContact CG-CD2 3.97Å; E580-F582 PolarHBondContact O-N 2.9Å; F582-Y584 PolarHBondContact O-N 2.87Å; F582-V585 HydrophobicContact CD2-CG2 4.07Å; F582-V585 WeakPolarHBondContact O-CG2 3.34Å; F582-V585 PolarHBondContact O-N 2.8Å; F582-A586 HydrophobicContact CD1-CB 4.47Å; F582-A586 HydrophobicContact CE1-CB 4.23Å; F582-A586 HydrophobicContact CZ-CB 4.49Å; F582-A586 VanDerWaalsContact O-CB 3.3Å; F582-A586 WeakPolarHBondContact O-CB 3.33Å; F582-A586 PolarHBondContact O-N 2.85Å; F582-F602 HydrophobicContact CD2-CD1 4.38Å; F582-F602 HydrophobicContact CD2-CE1 4.35Å; F582-F602 AromaticContact CE2-CD1 3.74Å; F582-F602 HydrophobicContact CE2-CD1 3.74Å; F582-F602 AromaticContact CE2-CE1 3.62Å; F582-F602 HydrophobicContact CE2-CE1 3.62Å; F582-F602 HydrophobicContact CZ-CE1 4.27Å; F582-Q614 HydrophobicContact CB-CB 3.83Å; F582-Q614 HydrophobicContact CB-CG 3.84Å; F582-Q614 HydrophobicContact CD1-CB 4.28Å; F582-Q614 HydrophobicContact CG-CB 4.29Å; F582-Q614 HydrophobicContact CG-CG 4.43Å; F582-Y616 HydrophobicContact CD1-CD1 4.27Å; F582-Y616 HydrophobicContact CD1-CG 4.15Å; F582-Y616 AromaticContact CE1-CD1 3.87Å; F582-Y616 HydrophobicContact CE1-CD1 3.87Å; F582-Y616 HydrophobicContact CE1-CG 4.23Å; F582-P620 HydrophobicContact CD1-CG 4.02Å; F582-P620 HydrophobicContact CD2-CB 4.11Å; F582-P620 HydrophobicContact CD2-CG 3.87Å; F582-P620 HydrophobicContact CE1-CB 4.35Å; F582-P620 HydrophobicContact CE1-CG 4.01Å; F582-P620 HydrophobicContact CE2-CB 3.66Å; F582-P620 HydrophobicContact CE2-CG 3.87Å; F582-P620 HydrophobicContact CG-CG 3.96Å; F582-P620 VanDerWaalsContact CZ-CA 3.46Å; F582-P620 HydrophobicContact CZ-CB 3.81Å; F582-P620 HydrophobicContact CZ-CG 3.95Å; F582-M623 HydrophobicContact CE1-CE 3.59Å; F582-M623 HydrophobicContact CE1-SD 4.27Å; F582-M623 HydrophobicContact CE2-SD 4.32Å; F582-M623 HydrophobicContact CZ-CB 4.12Å; F582-M623 HydrophobicContact CZ-CE 3.5Å; F582-M623 VanDerWaalsContact CZ-CE 3.5Å; F582-M623 HydrophobicContact CZ-CG 4.46Å; F582-M623 HydrophobicContact CZ-SD 3.54Å; F582-M623 VanDerWaalsContact CZ-SD 3.54Å |
| 583 | R | 96.4 | Very high | 96.2 | Very high | 126 Ų | 126 | 32 Ų | 32 | 48% | 0.475 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -54.6 | -40.2 | 178.7 | 177 | -177.4 | 174 | 100.2 | 2.6 | 111.7 | E580 N587 Y616 | E580-R583 WeakPolarHBondContact O-CB 3.46Å; E580-R583 PolarHBondContact O-N 3.45Å; R583-N587 WeakPolarHBondContact O-CB 3.34Å; R583-N587 PolarHBondContact O-N 2.88Å; R583-N587 VanDerWaalsContact O-N 3.08Å; R583-N587 PolarHBondContact O-ND2 2.98Å; R583-Y616 HydrophobicContact CB-CD2 3.97Å; R583-Y616 HydrophobicContact CG-CD2 3.93Å; R583-Y616 HydrophobicContact CG-CE2 4.19Å |
| 584 | Y | 96.5 | Very high | 95.9 | Very high | 24 Ų | 24 | 35.9 Ų | 35.9 | 9% | 0.094 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -54.4 | 178.8 | 176.8 | -87.8 | 0 | 0 | 0 | 111.5 | G495 A496 A553 E557 S581 F582 A586 N587 I588 | G495-Y584 VanDerWaalsContact C-CD1 3.47Å; G495-Y584 VanDerWaalsContact C-CE1 3.49Å; A496-Y584 HydrophobicContact CB-CG 4.18Å; A553-Y584 VanDerWaalsContact CA-OH 3.31Å; A553-Y584 WeakPolarHBondContact CA-OH 3.22Å; A553-Y584 HydrophobicContact CB-CE2 4Å; A553-Y584 PolarHBondContact O-OH 2.82Å; E557-Y584 HydrophobicContact CG-CE2 3.82Å; E557-Y584 WeakPolarHBondContact OE1-CE2 3.31Å; S581-Y584 PolarHBondContact O-N 3.43Å; F582-Y584 PolarHBondContact O-N 2.87Å; Y584-A586 VanDerWaalsContact C-N 3.35Å; Y584-A586 PolarHBondContact O-N 3.31Å; Y584-N587 PolarHBondContact O-N 2.87Å; Y584-I588 HydrophobicContact CD1-CG1 4.21Å; Y584-I588 HydrophobicContact CE1-CD1 4.39Å; Y584-I588 HydrophobicContact CE1-CG1 3.71Å; Y584-I588 WeakPolarHBondContact O-CG1 3.42Å; Y584-I588 PolarHBondContact O-N 3.43Å |
| 585 | V | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71 | -31.6 | -176.5 | -70.2 | 0 | 0 | 0 | 0 | 112.9 | L572 V573 F582 N587 I588 F589 F602 | L572-V585 HydrophobicContact CB-CB 4.04Å; L572-V585 HydrophobicContact CB-CG1 4.24Å; L572-V585 HydrophobicContact CD2-CB 4.42Å; V573-V585 VanDerWaalsContact O-CG1 3.26Å; V573-V585 WeakPolarHBondContact O-CG1 3.37Å; F582-V585 HydrophobicContact CD2-CG2 4.07Å; F582-V585 WeakPolarHBondContact O-CG2 3.34Å; F582-V585 PolarHBondContact O-N 2.8Å; V585-N587 VanDerWaalsContact C-N 3.35Å; V585-I588 PolarHBondContact O-N 2.82Å; V585-F589 WeakPolarHBondContact O-CB 3.41Å; V585-F589 PolarHBondContact O-N 3.41Å; V585-F602 HydrophobicContact CB-CE1 4.24Å; V585-F602 HydrophobicContact CG2-CD1 4.15Å; V585-F602 HydrophobicContact CG2-CE1 3.84Å |
| 586 | A | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | F582 Y584 F589 L590 Y616 M623 | F582-A586 HydrophobicContact CD1-CB 4.47Å; F582-A586 HydrophobicContact CE1-CB 4.23Å; F582-A586 HydrophobicContact CZ-CB 4.49Å; F582-A586 VanDerWaalsContact O-CB 3.3Å; F582-A586 WeakPolarHBondContact O-CB 3.33Å; F582-A586 PolarHBondContact O-N 2.85Å; Y584-A586 VanDerWaalsContact C-N 3.35Å; Y584-A586 PolarHBondContact O-N 3.31Å; A586-F589 PolarHBondContact O-N 3.11Å; A586-L590 VanDerWaalsContact O-CG 3.31Å; A586-L590 WeakPolarHBondContact O-CG 3.3Å; A586-L590 PolarHBondContact O-N 3.13Å; A586-Y616 HydrophobicContact CB-CD1 4.29Å; A586-Y616 HydrophobicContact CB-CD2 4.34Å; A586-Y616 HydrophobicContact CB-CE1 3.84Å; A586-Y616 HydrophobicContact CB-CE2 3.88Å; A586-M623 HydrophobicContact CB-CE 3.35Å; A586-M623 HydrophobicContact CB-SD 4.19Å |
| 587 | N | 95.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 45.5 Ų | 45.5 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.1 | -42 | 178.3 | -69.5 | -16.2 | 0 | 0 | 0 | 112 | R583 Y584 V585 F589 L590 N591 | R583-N587 WeakPolarHBondContact O-CB 3.34Å; R583-N587 PolarHBondContact O-N 2.88Å; R583-N587 VanDerWaalsContact O-N 3.08Å; R583-N587 PolarHBondContact O-ND2 2.98Å; Y584-N587 PolarHBondContact O-N 2.87Å; V585-N587 VanDerWaalsContact C-N 3.35Å; N587-F589 VanDerWaalsContact C-N 3.32Å; N587-F589 PolarHBondContact O-N 3.22Å; N587-L590 PolarHBondContact O-N 3.46Å; N587-N591 VanDerWaalsContact O-CB 3.24Å; N587-N591 WeakPolarHBondContact O-CB 3.27Å; N587-N591 PolarHBondContact O-N 3.14Å; N587-N591 PolarHBondContact O-ND2 2.95Å |
| 588 | I | 96.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 174.4 | -68 | -65.8 | 0 | 0 | 0 | 110.8 | Y494 G556 M559 L572 Y584 V585 F592 Y593 | Y494-I588 HydrophobicContact CD1-CG2 4.19Å; Y494-I588 HydrophobicContact CD2-CG2 4.48Å; Y494-I588 HydrophobicContact CG-CG2 4.14Å; G556-I588 VanDerWaalsContact O-CD1 3.29Å; G556-I588 WeakPolarHBondContact O-CD1 3.43Å; M559-I588 HydrophobicContact CE-CG2 4.2Å; L572-I588 HydrophobicContact CD2-CB 4.45Å; L572-I588 HydrophobicContact CD2-CG2 3.91Å; Y584-I588 HydrophobicContact CD1-CG1 4.21Å; Y584-I588 HydrophobicContact CE1-CD1 4.39Å; Y584-I588 HydrophobicContact CE1-CG1 3.71Å; Y584-I588 WeakPolarHBondContact O-CG1 3.42Å; Y584-I588 PolarHBondContact O-N 3.43Å; V585-I588 PolarHBondContact O-N 2.82Å; I588-F592 HydrophobicContact CD1-CD2 4.34Å; I588-F592 HydrophobicContact CD1-CE2 4.25Å; I588-F592 PolarHBondContact O-N 2.97Å; I588-Y593 HydrophobicContact CG2-CD2 4.13Å; I588-Y593 HydrophobicContact CG2-CE2 3.93Å |
| 589 | F | 96 | Very high | 93.7 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 4% | 0.044 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -58.7 | -52.7 | 176.7 | 174.2 | -103.8 | 0 | 0 | 0 | 111.6 | L572 V585 A586 N587 N591 Y593 R594 C600 F602 Y627 L629 | L572-F589 HydrophobicContact CD1-CB 3.82Å; L572-F589 HydrophobicContact CD1-CD2 4.22Å; L572-F589 HydrophobicContact CD1-CG 4.4Å; V585-F589 WeakPolarHBondContact O-CB 3.41Å; V585-F589 PolarHBondContact O-N 3.41Å; A586-F589 PolarHBondContact O-N 3.11Å; N587-F589 VanDerWaalsContact C-N 3.32Å; N587-F589 PolarHBondContact O-N 3.22Å; F589-N591 VanDerWaalsContact C-N 3.33Å; F589-N591 PolarHBondContact O-N 2.64Å; F589-Y593 CarbonylContact O-C 3.59Å; F589-Y593 WeakPolarHBondContact O-CA 3.45Å; F589-Y593 PolarHBondContact O-N 3.32Å; F589-R594 HydrophobicContact CE1-CB 4.27Å; F589-R594 HydrophobicContact CZ-CB 4.43Å; F589-R594 PolarHBondContact O-N 3.41Å; F589-C600 HydrophobicContact CD2-CB 4.06Å; F589-C600 HydrophobicContact CE2-CB 4.18Å; F589-F602 HydrophobicContact CB-CE2 4.47Å; F589-F602 HydrophobicContact CB-CZ 4.02Å; F589-F602 HydrophobicContact CD2-CE2 4.46Å; F589-F602 HydrophobicContact CG-CE2 4.34Å; F589-F602 HydrophobicContact CG-CZ 4.28Å; F589-Y627 HydrophobicContact CD1-CD2 4.48Å; F589-Y627 HydrophobicContact CE1-CD1 4.23Å; F589-Y627 AromaticContact CE1-CD2 3.72Å; F589-Y627 HydrophobicContact CE1-CD2 3.72Å; F589-Y627 HydrophobicContact CE1-CE2 4.22Å; F589-Y627 AromaticContact CE1-CG 3.73Å; F589-Y627 HydrophobicContact CE1-CG 3.73Å; F589-Y627 HydrophobicContact CZ-CG 4.19Å; F589-L629 HydrophobicContact CE1-CD1 4.24Å; F589-L629 HydrophobicContact CE2-CD1 4.08Å; F589-L629 HydrophobicContact CE2-CD2 3.81Å; F589-L629 HydrophobicContact CZ-CD1 3.9Å; F589-L629 HydrophobicContact CZ-CD2 3.91Å; F589-L629 HydrophobicContact CZ-CG 4.31Å |
| 590 | L | 94.7 | Very high | 93.7 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 24% | 0.241 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -63.5 | -37.8 | -176.7 | -68.7 | 176.5 | 0 | 0 | 0 | 113.1 | A586 N587 Y616 Y627 | A586-L590 VanDerWaalsContact O-CG 3.31Å; A586-L590 WeakPolarHBondContact O-CG 3.3Å; A586-L590 PolarHBondContact O-N 3.13Å; N587-L590 PolarHBondContact O-N 3.46Å; L590-Y616 WeakPolarHBondContact CD1-OH 3.45Å; L590-Y627 HydrophobicContact CD2-CE1 4.41Å; L590-Y627 HydrophobicContact CD2-CE2 3.93Å; L590-Y627 WeakPolarHBondContact CD2-OH 3.48Å |
| 591 | N | 93.8 | Very high | 93.7 | Very high | 121 Ų | 121 | 37 Ų | 37 | 65% | 0.647 | 18% | 0.179 | S | C | * | . | I | π-helix | trans | -79.1 | -36.3 | -175.6 | -68.8 | -16.1 | 0 | 0 | 0 | 112.9 | N587 F589 | N587-N591 VanDerWaalsContact O-CB 3.24Å; N587-N591 WeakPolarHBondContact O-CB 3.27Å; N587-N591 PolarHBondContact O-N 3.14Å; N587-N591 PolarHBondContact O-ND2 2.95Å; F589-N591 VanDerWaalsContact C-N 3.33Å; F589-N591 PolarHBondContact O-N 2.64Å |
| 592 | F | 93.9 | Very high | 93.8 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 18% | 0.18 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -119.5 | -28.5 | -168.2 | -64.7 | -76.3 | 0 | 0 | 0 | 115.2 | M559 A564 I588 T596 | M559-F592 HydrophobicContact CE-CB 3.73Å; M559-F592 HydrophobicContact CE-CD1 3.93Å; M559-F592 HydrophobicContact CE-CD2 3.3Å; M559-F592 HydrophobicContact CE-CE1 4.35Å; M559-F592 HydrophobicContact CE-CE2 3.77Å; M559-F592 HydrophobicContact CE-CG 3.38Å; M559-F592 HydrophobicContact CE-CZ 4.27Å; M559-F592 HydrophobicContact CG-CD1 4.27Å; M559-F592 HydrophobicContact CG-CE1 3.91Å; M559-F592 HydrophobicContact CG-CE2 4.17Å; M559-F592 HydrophobicContact CG-CZ 3.84Å; M559-F592 WeakPolarHBondContact O-CE1 3.3Å; M559-F592 WeakPolarHBondContact O-CZ 3.22Å; A564-F592 HydrophobicContact CB-CB 4.02Å; A564-F592 HydrophobicContact CB-CD1 4.26Å; A564-F592 HydrophobicContact CB-CG 4.42Å; I588-F592 HydrophobicContact CD1-CD2 4.34Å; I588-F592 HydrophobicContact CD1-CE2 4.25Å; I588-F592 PolarHBondContact O-N 2.97Å; F592-T596 WeakPolarHBondContact O-CG2 3.24Å |
| 593 | Y | 93.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -114.9 | -22.7 | -169.7 | -66.8 | -68.1 | 0 | 0 | 0 | 114 | Y494 M559 A564 V567 A570 I588 F589 G595 T596 V598 C600 | Y494-Y593 HydrophobicContact CD2-CE2 4.46Å; Y494-Y593 AromaticContact CE2-CE2 3.9Å; Y494-Y593 HydrophobicContact CE2-CE2 3.9Å; Y494-Y593 AromaticContact CE2-CZ 3.94Å; Y494-Y593 WeakPolarHBondContact CE2-OH 3.2Å; Y494-Y593 PolarHBondContact OH-OH 3.18Å; M559-Y593 HydrophobicContact CE-CE2 4.15Å; A564-Y593 HydrophobicContact CB-CE1 4.21Å; A564-Y593 WeakPolarHBondContact O-CE1 3.39Å; A564-Y593 PolarHBondContact O-OH 3.27Å; V567-Y593 HydrophobicContact CG1-CE1 4.29Å; A570-Y593 HydrophobicContact CB-CD1 4.33Å; A570-Y593 HydrophobicContact CB-CD2 4.36Å; A570-Y593 HydrophobicContact CB-CE1 3.89Å; A570-Y593 HydrophobicContact CB-CE2 3.93Å; I588-Y593 HydrophobicContact CG2-CD2 4.13Å; I588-Y593 HydrophobicContact CG2-CE2 3.93Å; F589-Y593 CarbonylContact O-C 3.59Å; F589-Y593 WeakPolarHBondContact O-CA 3.45Å; F589-Y593 PolarHBondContact O-N 3.32Å; Y593-G595 PolarHBondContact O-N 3.21Å; Y593-T596 WeakPolarHBondContact O-CB 3.4Å; Y593-T596 WeakPolarHBondContact O-CG2 3.45Å; Y593-T596 PolarHBondContact O-N 3.19Å; Y593-T596 PolarHBondContact O-OG1 3.21Å; Y593-V598 HydrophobicContact CD1-CB 3.87Å; Y593-V598 HydrophobicContact CD1-CG1 3.94Å; Y593-V598 HydrophobicContact CD1-CG2 4.5Å; Y593-V598 HydrophobicContact CE1-CB 4.07Å; Y593-V598 HydrophobicContact CE1-CG1 3.76Å; Y593-V598 HydrophobicContact CE1-CG2 4.45Å; Y593-C600 WeakPolarHBondContact CB-SG 3.37Å |
| 594 | R | 91.5 | Very high | 93.9 | Very high | 81 Ų | 81 | 31.1 Ų | 31.1 | 31% | 0.306 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 123.8 | 176 | 178 | -179.4 | 168.5 | 150.2 | -3.6 | 110.2 | F589 T596 Y627 D789 | F589-R594 HydrophobicContact CE1-CB 4.27Å; F589-R594 HydrophobicContact CZ-CB 4.43Å; F589-R594 PolarHBondContact O-N 3.41Å; R594-T596 PolarHBondContact O-N 3.09Å; R594-Y627 PolarHBondContact NH1-OH 3.1Å; R594-D789 IonicContact NH2-OD2 3.8Å; R594-D789 PolarHBondContact NH2-OD2 3.41Å |
| 595 | G | 86.4 | Confident | 93.9 | Very high | 38 Ų | 38 | 30 Ų | 30 | 39% | 0.392 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 2.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y593 | Y593-G595 PolarHBondContact O-N 3.21Š|
| 596 | T | 88.3 | Confident | 93.9 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -85.3 | 172 | 171.5 | 77.6 | 0 | 0 | 0 | 0 | 111 | L565 F592 Y593 R594 V598 L785 | L565-T596 HydrophobicContact CD2-CG2 3.76Å; F592-T596 WeakPolarHBondContact O-CG2 3.24Å; Y593-T596 WeakPolarHBondContact O-CB 3.4Å; Y593-T596 WeakPolarHBondContact O-CG2 3.45Å; Y593-T596 PolarHBondContact O-N 3.19Å; Y593-T596 PolarHBondContact O-OG1 3.21Å; R594-T596 PolarHBondContact O-N 3.09Å; T596-V598 PolarHBondContact OG1-N 3.42Å; T596-L785 WeakPolarHBondContact O-CD2 3.48Å |
| 597 | R | 83.9 | Confident | 93.8 | Very high | 149 Ų | 149 | 34.2 Ų | 34.2 | 56% | 0.562 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -91 | -0.8 | 174.5 | -64.5 | -176.1 | -177.5 | -177.2 | 1.3 | 113.5 | P599 L785 | R597-P599 VanDerWaalsContact O-CD 3.3Å; R597-P599 WeakPolarHBondContact O-CD 3.24Å; R597-L785 HydrophobicContact CG-CD2 4.21Å |
| 598 | V | 90 | Very high | 93.7 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.115 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -77.7 | 118.2 | -179.6 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | L565 V567 A570 Y593 T596 | L565-V598 HydrophobicContact CD2-CG2 4.03Å; V567-V598 HydrophobicContact CG1-CG1 3.53Å; V567-V598 HydrophobicContact CG1-CG2 4.46Å; A570-V598 HydrophobicContact CB-CG1 4.32Å; Y593-V598 HydrophobicContact CD1-CB 3.87Å; Y593-V598 HydrophobicContact CD1-CG1 3.94Å; Y593-V598 HydrophobicContact CD1-CG2 4.5Å; Y593-V598 HydrophobicContact CE1-CB 4.07Å; Y593-V598 HydrophobicContact CE1-CG1 3.76Å; Y593-V598 HydrophobicContact CE1-CG2 4.45Å; T596-V598 PolarHBondContact OG1-N 3.42Å |
| 599 | P | 92.1 | Very high | 93.6 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 10% | 0.104 | 19% | 0.194 | C | C | . | . | trans | -61.9 | 138.5 | 176 | -20.2 | 33.5 | 0 | 0 | 0 | 111.2 | D568 V569 A570 R597 M774 P778 | D568-P599 VanDerWaalsContact O-CD 3.3Å; D568-P599 WeakPolarHBondContact O-CD 3.49Å; V569-P599 HydrophobicContact CG2-CB 4.29Å; A570-P599 PolarHBondContact N-O 3.09Å; R597-P599 VanDerWaalsContact O-CD 3.3Å; R597-P599 WeakPolarHBondContact O-CD 3.24Å; P599-M774 HydrophobicContact CB-CB 3.99Å; P599-M774 HydrophobicContact CB-CE 3.49Å; P599-M774 VanDerWaalsContact CB-CE 3.49Å; P599-P778 HydrophobicContact CG-CB 3.65Å | ||
| 600 | C | 95.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.034 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.7 | -179.6 | -66.2 | 0 | 0 | 0 | 0 | 110.4 | A570 L572 F589 Y593 P630 | A570-C600 WeakPolarHBondContact O-CA 3.15Å; L572-C600 HydrophobicContact CD1-CB 4.07Å; F589-C600 HydrophobicContact CD2-CB 4.06Å; F589-C600 HydrophobicContact CE2-CB 4.18Å; Y593-C600 WeakPolarHBondContact CB-SG 3.37Å; C600-P630 WeakPolarHBondContact O-CD 3.35Å; C600-P630 WeakPolarHBondContact O-CG 3.37Å |
| 601 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.6 | 174.2 | -179.5 | 63.7 | 0 | 0 | 0 | 109.8 | A570 L572 V603 P630 E633 V767 L770 L771 M774 | A570-L601 PolarHBondContact O-N 3.38Å; L572-L601 PolarHBondContact N-O 3.3Å; L601-V603 HydrophobicContact CD2-CG2 4.21Å; L601-V603 HydrophobicContact CG-CG2 4.18Å; L601-P630 HydrophobicContact CD1-CB 4.3Å; L601-P630 HydrophobicContact CD1-CG 3.87Å; L601-E633 HydrophobicContact CD1-CG 4.19Å; L601-E633 HydrophobicContact CD2-CG 4.33Å; L601-V767 HydrophobicContact CD2-CG2 4.16Å; L601-L770 HydrophobicContact CD1-CD2 3.56Å; L601-L770 HydrophobicContact CD1-CG 4.38Å; L601-L770 HydrophobicContact CD2-CB 4.45Å; L601-L770 HydrophobicContact CD2-CD2 3.94Å; L601-L770 HydrophobicContact CD2-CG 4.21Å; L601-L770 HydrophobicContact CG-CD2 4.41Å; L601-L771 HydrophobicContact CB-CD2 3.94Å; L601-L771 HydrophobicContact CD2-CD2 3.77Å; L601-L771 HydrophobicContact CD2-CG 3.85Å; L601-L771 HydrophobicContact CG-CD2 4.49Å; L601-M774 HydrophobicContact CB-CE 4.23Å; L601-M774 HydrophobicContact CB-SD 4.03Å; L601-M774 HydrophobicContact CD1-SD 4.32Å |
| 602 | F | 97.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 132.8 | 169.5 | -78.4 | -100.7 | 0 | 0 | 0 | 110.3 | L572 F582 V585 F589 M623 L629 I632 E633 | L572-F602 HydrophobicContact CB-CD1 4.04Å; L572-F602 HydrophobicContact CB-CD2 4.46Å; L572-F602 HydrophobicContact CB-CE1 4.21Å; L572-F602 HydrophobicContact CB-CG 4.19Å; L572-F602 HydrophobicContact CB-CZ 4.48Å; L572-F602 HydrophobicContact CD1-CD1 4.48Å; L572-F602 HydrophobicContact CD1-CD2 3.97Å; L572-F602 HydrophobicContact CD1-CE1 4.05Å; L572-F602 HydrophobicContact CD1-CE2 3.46Å; L572-F602 VanDerWaalsContact CD1-CE2 3.46Å; L572-F602 HydrophobicContact CD1-CG 4.46Å; L572-F602 HydrophobicContact CD1-CZ 3.52Å; L572-F602 CarbonylContact O-C 3.54Å; L572-F602 WeakPolarHBondContact O-CA 3.46Å; F582-F602 HydrophobicContact CD2-CD1 4.38Å; F582-F602 HydrophobicContact CD2-CE1 4.35Å; F582-F602 AromaticContact CE2-CD1 3.74Å; F582-F602 HydrophobicContact CE2-CD1 3.74Å; F582-F602 AromaticContact CE2-CE1 3.62Å; F582-F602 HydrophobicContact CE2-CE1 3.62Å; F582-F602 HydrophobicContact CZ-CE1 4.27Å; V585-F602 HydrophobicContact CB-CE1 4.24Å; V585-F602 HydrophobicContact CG2-CD1 4.15Å; V585-F602 HydrophobicContact CG2-CE1 3.84Å; F589-F602 HydrophobicContact CB-CE2 4.47Å; F589-F602 HydrophobicContact CB-CZ 4.02Å; F589-F602 HydrophobicContact CD2-CE2 4.46Å; F589-F602 HydrophobicContact CG-CE2 4.34Å; F589-F602 HydrophobicContact CG-CZ 4.28Å; F602-M623 HydrophobicContact CE1-SD 4.04Å; F602-M623 HydrophobicContact CE2-SD 4.33Å; F602-M623 HydrophobicContact CZ-SD 3.6Å; F602-M623 VanDerWaalsContact CZ-SD 3.6Å; F602-L629 HydrophobicContact CD2-CD1 3.98Å; F602-L629 HydrophobicContact CE2-CD1 3.56Å; F602-I632 HydrophobicContact CB-CG1 3.67Å; F602-I632 WeakPolarHBondContact O-CA 3.41Å; F602-E633 PolarHBondContact O-N 3.15Å; F602-E633 VanDerWaalsContact O-N 3.13Å |
| 603 | V | 98.1 | Very high | 93.5 | 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 | -121.8 | 120.7 | -179.7 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | L504 L572 V573 Y574 L601 A605 E633 F635 V767 | L504-V603 HydrophobicContact CD2-CG1 4.48Å; L572-V603 PolarHBondContact O-N 2.87Å; V573-V603 WeakPolarHBondContact CA-O 3.49Å; V573-V603 HydrophobicContact CG2-CB 4.31Å; Y574-V603 WeakPolarHBondContact CD1-O 3.43Å; Y574-V603 PolarHBondContact N-O 3.41Å; L601-V603 HydrophobicContact CD2-CG2 4.21Å; L601-V603 HydrophobicContact CG-CG2 4.18Å; V603-A605 PolarHBondContact O-N 2.85Å; V603-E633 CarbonylContact C-O 3.55Å; V603-E633 VanDerWaalsContact CA-O 3.3Å; V603-E633 WeakPolarHBondContact CA-O 3.43Å; V603-F635 HydrophobicContact CG1-CB 3.78Å; V603-V767 HydrophobicContact CG1-CG2 4.48Å; V603-V767 HydrophobicContact CG2-CG2 3.81Å |
| 604 | A | 97.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 91.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y574 V576 I632 E633 S634 F635 | Y574-A604 HydrophobicContact CE1-CB 3.97Å; Y574-A604 HydrophobicContact CE2-CB 4.41Å; V576-A604 HydrophobicContact CG1-CB 3.61Å; A604-I632 HydrophobicContact CB-CG2 3.55Å; A604-E633 PolarHBondContact N-O 3.16Å; A604-S634 WeakPolarHBondContact O-CA 3.21Å; A604-F635 PolarHBondContact O-N 2.89Å |
| 605 | A | 97.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 159.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V499 V573 Y574 V576 V603 S607 F635 | V499-A605 VanDerWaalsContact O-CB 3.29Å; V499-A605 WeakPolarHBondContact O-CB 3.4Å; V573-A605 HydrophobicContact CG1-CB 3.61Å; Y574-A605 WeakPolarHBondContact O-CB 3.43Å; Y574-A605 PolarHBondContact O-N 3.05Å; V576-A605 WeakPolarHBondContact CG2-O 3.26Å; V576-A605 PolarHBondContact N-O 3.45Å; V576-A605 VanDerWaalsContact N-O 3.1Å; V603-A605 PolarHBondContact O-N 2.85Å; A605-S607 VanDerWaalsContact C-N 3.27Å; A605-S607 PolarHBondContact O-N 2.85Å; A605-F635 CarbonylContact C-O 3.24Å; A605-F635 WeakPolarHBondContact CA-O 3.44Å |
| 606 | K | 96.2 | Very high | 93.9 | Very high | 59 Ų | 59 | 49 Ų | 49 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | trans | 58 | 38.3 | -175.7 | -51 | -170.6 | -165.7 | 161.7 | 0 | 112.6 | K498 D575 V576 D608 Q609 F635 | K498-K606 WeakPolarHBondContact O-CE 3.29Å; K498-K606 PolarHBondContact O-NZ 3.42Å; D575-K606 WeakPolarHBondContact OD2-CD 3.31Å; D575-K606 WeakPolarHBondContact OD2-CE 3.39Å; D575-K606 IonicContact OD2-NZ 2.78Å; D575-K606 PolarHBondContact OD2-NZ 3.01Å; V576-K606 WeakPolarHBondContact CG2-O 3.22Å; K606-D608 VanDerWaalsContact C-OD1 3.31Å; K606-D608 WeakPolarHBondContact CA-OD1 3.42Å; K606-D608 PolarHBondContact O-N 2.7Å; K606-Q609 HydrophobicContact CB-CG 4.23Å; K606-Q609 WeakPolarHBondContact O-CB 3.34Å; K606-Q609 PolarHBondContact O-N 3.46Å; K606-F635 PolarHBondContact N-O 2.73Å | ||
| 607 | S | 94.7 | Very high | 94 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -2.2 | 179.6 | 69 | 0 | 0 | 0 | 0 | 114.6 | A605 Q609 F635 | A605-S607 VanDerWaalsContact C-N 3.27Å; A605-S607 PolarHBondContact O-N 2.85Å; S607-Q609 VanDerWaalsContact C-N 3.34Å; S607-F635 PolarHBondContact N-O 3.24Å; S607-F635 PolarHBondContact OG-O 2.87Å |
| 608 | D | 94.1 | Very high | 94.3 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.2 | 167.4 | 56.1 | -68.6 | 0 | 0 | 0 | 113.5 | K606 S636 Y639 | K606-D608 VanDerWaalsContact C-OD1 3.31Å; K606-D608 WeakPolarHBondContact CA-OD1 3.42Å; K606-D608 PolarHBondContact O-N 2.7Å; D608-S636 WeakPolarHBondContact OD1-CB 3.48Å; D608-S636 PolarHBondContact OD1-OG 3.3Å; D608-Y639 WeakPolarHBondContact CA-OH 3.46Å; D608-Y639 HydrophobicContact CB-CE1 4.44Å; D608-Y639 HydrophobicContact CB-CE2 3.84Å |
| 609 | Q | 95 | Very high | 94.4 | Very high | 88 Ų | 88 | 53.1 Ų | 53.1 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -97.9 | 163.9 | -179.1 | -57.2 | -166.3 | 4.2 | 0 | 0 | 112 | S577 K606 S607 H611 | S577-Q609 VanDerWaalsContact CB-OE1 3.31Å; S577-Q609 PolarHBondContact OG-OE1 2.84Å; K606-Q609 HydrophobicContact CB-CG 4.23Å; K606-Q609 WeakPolarHBondContact O-CB 3.34Å; K606-Q609 PolarHBondContact O-N 3.46Å; S607-Q609 VanDerWaalsContact C-N 3.34Å; Q609-H611 PolarHBondContact O-N 2.85Å |
| 610 | S | 94.2 | Very high | 94.5 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 71% | 0.713 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 127.9 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | V612 | S610-V612 PolarHBondContact O-N 3.13Š|
| 611 | H | 94.1 | Very high | 94.3 | Very high | 124 Ų | 124 | 56.8 Ų | 56.8 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 127.4 | 176.9 | -74.5 | -120.7 | 0 | 0 | 0 | 110.6 | V576 Q609 | V576-H611 VanDerWaalsContact CG1-CE1 3.46Å; V576-H611 WeakPolarHBondContact CG1-CE1 3.46Å; V576-H611 CarbonylContact O-C 3.47Å; V576-H611 WeakPolarHBondContact O-CA 3.22Å; Q609-H611 PolarHBondContact O-N 2.85Å |
| 612 | V | 94.8 | Very high | 94.2 | Very high | 63 Ų | 63 | 61.6 Ų | 61.6 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | trans | -105.2 | 151.3 | 170.7 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | V576 S577 A579 S610 Q614 | V576-V612 WeakPolarHBondContact O-CG2 3.48Å; V576-V612 PolarHBondContact O-N 3Å; S577-V612 WeakPolarHBondContact O-CG2 3.16Å; A579-V612 HydrophobicContact CB-CG2 3.94Å; S610-V612 PolarHBondContact O-N 3.13Å; V612-Q614 PolarHBondContact O-N 2.81Å; V612-Q614 PolarHBondContact O-NE2 3.47Å | ||
| 613 | I | 93.1 | Very high | 93.9 | Very high | 137 Ų | 137 | 61.6 Ų | 61.6 | 70% | 0.703 | 33% | 0.326 | S | S | * | . | trans | -62.1 | 132.8 | 173.7 | -60.3 | 172 | 0 | 0 | 0 | 108.1 | A579 | A579-I613 VanDerWaalsContact CB-O 3.32Å; A579-I613 WeakPolarHBondContact CB-O 3.44Å | ||
| 614 | Q | 94.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | trans | -87 | 122 | -178.1 | -63.7 | -64.6 | -55.3 | 0 | 0 | 109.3 | Y574 D575 D578 A579 S581 F582 V612 Y616 P620 | Y574-Q614 HydrophobicContact CD2-CG 4.44Å; Y574-Q614 HydrophobicContact CE2-CG 4.23Å; D575-Q614 PolarHBondContact O-NE2 2.8Å; D578-Q614 PolarHBondContact O-NE2 2.91Å; D578-Q614 PolarHBondContact O-OE1 2.83Å; A579-Q614 CarbonylContact O-C 3.58Å; A579-Q614 WeakPolarHBondContact O-CA 3.42Å; S581-Q614 PolarHBondContact OG-OE1 3.47Å; F582-Q614 HydrophobicContact CB-CB 3.83Å; F582-Q614 HydrophobicContact CB-CG 3.84Å; F582-Q614 HydrophobicContact CD1-CB 4.28Å; F582-Q614 HydrophobicContact CG-CB 4.29Å; F582-Q614 HydrophobicContact CG-CG 4.43Å; V612-Q614 PolarHBondContact O-N 2.81Å; V612-Q614 PolarHBondContact O-NE2 3.47Å; Q614-Y616 PolarHBondContact O-N 3.43Å; Q614-P620 HydrophobicContact CB-CG 4.16Å; Q614-P620 HydrophobicContact CG-CG 3.91Å | ||
| 615 | N | 91.7 | Very high | 93.4 | Very high | 89 Ų | 89 | 67.7 Ų | 67.7 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | trans | -73.5 | 72.8 | -177.2 | -70 | -17.2 | 0 | 0 | 0 | 111.1 | A579 E580 | A579-N615 PolarHBondContact O-N 3.34Å; E580-N615 WeakPolarHBondContact OE1-CB 3.5Å; E580-N615 PolarHBondContact OE1-ND2 2.85Å | ||
| 616 | Y | 93.5 | Very high | 93.1 | Very high | 41 Ų | 41 | 73 Ų | 73 | 16% | 0.161 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -137 | 162.5 | 176 | -164.4 | -110.7 | 0 | 0 | 0 | 110.6 | F582 R583 A586 L590 Q614 I618 M623 | F582-Y616 HydrophobicContact CD1-CD1 4.27Å; F582-Y616 HydrophobicContact CD1-CG 4.15Å; F582-Y616 AromaticContact CE1-CD1 3.87Å; F582-Y616 HydrophobicContact CE1-CD1 3.87Å; F582-Y616 HydrophobicContact CE1-CG 4.23Å; R583-Y616 HydrophobicContact CB-CD2 3.97Å; R583-Y616 HydrophobicContact CG-CD2 3.93Å; R583-Y616 HydrophobicContact CG-CE2 4.19Å; A586-Y616 HydrophobicContact CB-CD1 4.29Å; A586-Y616 HydrophobicContact CB-CD2 4.34Å; A586-Y616 HydrophobicContact CB-CE1 3.84Å; A586-Y616 HydrophobicContact CB-CE2 3.88Å; L590-Y616 WeakPolarHBondContact CD1-OH 3.45Å; Q614-Y616 PolarHBondContact O-N 3.43Å; Y616-I618 HydrophobicContact CD1-CG1 3.84Å; Y616-I618 WeakPolarHBondContact CD1-O 3.39Å; Y616-I618 HydrophobicContact CE1-CG1 3.89Å; Y616-I618 PolarHBondContact O-N 3.06Å; Y616-I618 VanDerWaalsContact O-N 3.17Å; Y616-M623 HydrophobicContact CD1-CE 3.86Å; Y616-M623 HydrophobicContact CE1-CE 3.39Å |
| 617 | Q | 90.7 | Very high | 92.8 | Very high | 182 Ų | 182 | 71.3 Ų | 71.3 | 85% | 0.85 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -63.4 | -23 | -175.3 | -67 | 179.4 | -2.2 | 0 | 0 | 113.7 | ||
| 618 | I | 91 | Very high | 92.6 | Very high | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -137.7 | 146.5 | 177.6 | 57.8 | 176.7 | 0 | 0 | 0 | 108.8 | Y616 E622 M623 K626 | Y616-I618 HydrophobicContact CD1-CG1 3.84Å; Y616-I618 WeakPolarHBondContact CD1-O 3.39Å; Y616-I618 HydrophobicContact CE1-CG1 3.89Å; Y616-I618 PolarHBondContact O-N 3.06Å; Y616-I618 VanDerWaalsContact O-N 3.17Å; I618-E622 HydrophobicContact CB-CB 4.36Å; I618-E622 HydrophobicContact CB-CG 4.4Å; I618-E622 WeakPolarHBondContact CB-OE2 3.48Å; I618-M623 HydrophobicContact CD1-CB 3.79Å; I618-M623 HydrophobicContact CD1-CE 4.1Å; I618-M623 HydrophobicContact CD1-CG 4.12Å; I618-M623 HydrophobicContact CG1-CB 4.29Å; I618-M623 HydrophobicContact CG1-CE 4.18Å; I618-K626 HydrophobicContact CD1-CD 4.07Å |
| 619 | D | 91.4 | Very high | 92.4 | Very high | 88 Ų | 88 | 73.6 Ų | 73.6 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | trans | -66.9 | 154.6 | 177.7 | -76.9 | -32.2 | 0 | 0 | 0 | 111.4 | S621 E622 M623 | D619-S621 VanDerWaalsContact C-N 3.3Å; D619-S621 PolarHBondContact O-N 3.1Å; D619-E622 HydrophobicContact CB-CB 4.33Å; D619-E622 WeakPolarHBondContact O-CB 3.34Å; D619-E622 PolarHBondContact O-N 3.39Å; D619-M623 PolarHBondContact O-N 2.96Å | ||
| 620 | P | 93.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 69.8 Ų | 69.8 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -52.3 | -44.6 | 177 | -27.5 | 34.1 | 0 | 0 | 0 | 113.8 | F582 Q614 E622 M623 I624 I632 | F582-P620 HydrophobicContact CD1-CG 4.02Å; F582-P620 HydrophobicContact CD2-CB 4.11Å; F582-P620 HydrophobicContact CD2-CG 3.87Å; F582-P620 HydrophobicContact CE1-CB 4.35Å; F582-P620 HydrophobicContact CE1-CG 4.01Å; F582-P620 HydrophobicContact CE2-CB 3.66Å; F582-P620 HydrophobicContact CE2-CG 3.87Å; F582-P620 HydrophobicContact CG-CG 3.96Å; F582-P620 VanDerWaalsContact CZ-CA 3.46Å; F582-P620 HydrophobicContact CZ-CB 3.81Å; F582-P620 HydrophobicContact CZ-CG 3.95Å; Q614-P620 HydrophobicContact CB-CG 4.16Å; Q614-P620 HydrophobicContact CG-CG 3.91Å; P620-E622 VanDerWaalsContact C-N 3.33Å; P620-E622 PolarHBondContact O-N 3.31Å; P620-M623 WeakPolarHBondContact O-CB 3.24Å; P620-M623 PolarHBondContact O-N 3.13Å; P620-I624 WeakPolarHBondContact O-CG1 3.43Å; P620-I624 PolarHBondContact O-N 3.47Å; P620-I624 VanDerWaalsContact O-N 3.12Å; P620-I632 HydrophobicContact CB-CD1 3.52Å |
| 621 | S | 92.2 | Very high | 92.1 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 57% | 0.573 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.9 | -35.5 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | D619 T625 | D619-S621 VanDerWaalsContact C-N 3.3Å; D619-S621 PolarHBondContact O-N 3.1Å; S621-T625 PolarHBondContact O-N 3.33Å; S621-T625 PolarHBondContact O-OG1 3Å |
| 622 | E | 93.4 | Very high | 92.1 | Very high | 102 Ų | 102 | 65.1 Ų | 65.1 | 48% | 0.477 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 176 | -169 | -173.6 | 171.6 | 0 | 0 | 110.5 | I618 D619 P620 I624 T625 K626 | I618-E622 HydrophobicContact CB-CB 4.36Å; I618-E622 HydrophobicContact CB-CG 4.4Å; I618-E622 WeakPolarHBondContact CB-OE2 3.48Å; D619-E622 HydrophobicContact CB-CB 4.33Å; D619-E622 WeakPolarHBondContact O-CB 3.34Å; D619-E622 PolarHBondContact O-N 3.39Å; P620-E622 VanDerWaalsContact C-N 3.33Å; P620-E622 PolarHBondContact O-N 3.31Å; E622-I624 PolarHBondContact O-N 3.23Å; E622-T625 PolarHBondContact O-N 3.36Å; E622-K626 WeakPolarHBondContact O-CB 3.2Å; E622-K626 PolarHBondContact O-N 2.86Å |
| 623 | M | 92.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 175.1 | -173.1 | 179.7 | -70.5 | 0 | 0 | 112.3 | F582 A586 F602 Y616 I618 D619 P620 T625 K626 Y627 | F582-M623 HydrophobicContact CE1-CE 3.59Å; F582-M623 HydrophobicContact CE1-SD 4.27Å; F582-M623 HydrophobicContact CE2-SD 4.32Å; F582-M623 HydrophobicContact CZ-CB 4.12Å; F582-M623 HydrophobicContact CZ-CE 3.5Å; F582-M623 VanDerWaalsContact CZ-CE 3.5Å; F582-M623 HydrophobicContact CZ-CG 4.46Å; F582-M623 HydrophobicContact CZ-SD 3.54Å; F582-M623 VanDerWaalsContact CZ-SD 3.54Å; A586-M623 HydrophobicContact CB-CE 3.35Å; A586-M623 HydrophobicContact CB-SD 4.19Å; F602-M623 HydrophobicContact CE1-SD 4.04Å; F602-M623 HydrophobicContact CE2-SD 4.33Å; F602-M623 HydrophobicContact CZ-SD 3.6Å; F602-M623 VanDerWaalsContact CZ-SD 3.6Å; Y616-M623 HydrophobicContact CD1-CE 3.86Å; Y616-M623 HydrophobicContact CE1-CE 3.39Å; I618-M623 HydrophobicContact CD1-CB 3.79Å; I618-M623 HydrophobicContact CD1-CE 4.1Å; I618-M623 HydrophobicContact CD1-CG 4.12Å; I618-M623 HydrophobicContact CG1-CB 4.29Å; I618-M623 HydrophobicContact CG1-CE 4.18Å; D619-M623 PolarHBondContact O-N 2.96Å; P620-M623 WeakPolarHBondContact O-CB 3.24Å; P620-M623 PolarHBondContact O-N 3.13Å; M623-T625 VanDerWaalsContact C-N 3.29Å; M623-T625 PolarHBondContact O-N 2.79Å; M623-K626 PolarHBondContact O-N 2.82Å; M623-Y627 HydrophobicContact CG-CD2 3.66Å; M623-Y627 HydrophobicContact CG-CE2 3.93Å; M623-Y627 VanDerWaalsContact O-CD2 3.3Å; M623-Y627 WeakPolarHBondContact O-CD2 3.4Å; M623-Y627 PolarHBondContact O-N 3.11Å |
| 624 | I | 92.2 | Very high | 92.2 | Very high | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.5 | -49.2 | 177.1 | -60.5 | 162.2 | 0 | 0 | 0 | 110.2 | P620 E622 Y627 H628 L629 P630 I632 | P620-I624 WeakPolarHBondContact O-CG1 3.43Å; P620-I624 PolarHBondContact O-N 3.47Å; P620-I624 VanDerWaalsContact O-N 3.12Å; E622-I624 PolarHBondContact O-N 3.23Å; I624-Y627 PolarHBondContact O-N 3.28Å; I624-H628 PolarHBondContact O-N 2.83Å; I624-L629 HydrophobicContact CG2-CB 4.07Å; I624-L629 WeakPolarHBondContact CG2-O 3.44Å; I624-L629 PolarHBondContact O-N 2.88Å; I624-P630 WeakPolarHBondContact CG2-O 3.3Å; I624-I632 HydrophobicContact CD1-CB 4.06Å; I624-I632 HydrophobicContact CD1-CD1 3.47Å; I624-I632 VanDerWaalsContact CD1-CD1 3.47Å; I624-I632 HydrophobicContact CD1-CG1 3.36Å; I624-I632 HydrophobicContact CG1-CD1 4.09Å; I624-I632 HydrophobicContact CG1-CG1 3.96Å |
| 625 | T | 91.7 | Very high | 92.2 | Very high | 105 Ų | 105 | 61.2 Ų | 61.2 | 64% | 0.644 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | -177.2 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | S621 E622 M623 Y627 H628 | S621-T625 PolarHBondContact O-N 3.33Å; S621-T625 PolarHBondContact O-OG1 3Å; E622-T625 PolarHBondContact O-N 3.36Å; M623-T625 VanDerWaalsContact C-N 3.29Å; M623-T625 PolarHBondContact O-N 2.79Å; T625-Y627 VanDerWaalsContact C-N 3.29Å; T625-Y627 PolarHBondContact O-N 3.37Å; T625-H628 PolarHBondContact O-N 2.64Å |
| 626 | K | 91.3 | Very high | 92.3 | Very high | 115 Ų | 115 | 57.4 Ų | 57.4 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -36.1 | -179.8 | -178.4 | 173.4 | -178 | 169.7 | 0 | 113 | I618 E622 M623 | I618-K626 HydrophobicContact CD1-CD 4.07Å; E622-K626 WeakPolarHBondContact O-CB 3.2Å; E622-K626 PolarHBondContact O-N 2.86Å; M623-K626 PolarHBondContact O-N 2.82Å |
| 627 | Y | 90.8 | Very high | 92.3 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -108.4 | 10.7 | -175.5 | -63.4 | -63 | 0 | 0 | 0 | 114.4 | F589 L590 R594 M623 I624 T625 L629 | F589-Y627 HydrophobicContact CD1-CD2 4.48Å; F589-Y627 HydrophobicContact CE1-CD1 4.23Å; F589-Y627 AromaticContact CE1-CD2 3.72Å; F589-Y627 HydrophobicContact CE1-CD2 3.72Å; F589-Y627 HydrophobicContact CE1-CE2 4.22Å; F589-Y627 AromaticContact CE1-CG 3.73Å; F589-Y627 HydrophobicContact CE1-CG 3.73Å; F589-Y627 HydrophobicContact CZ-CG 4.19Å; L590-Y627 HydrophobicContact CD2-CE1 4.41Å; L590-Y627 HydrophobicContact CD2-CE2 3.93Å; L590-Y627 WeakPolarHBondContact CD2-OH 3.48Å; R594-Y627 PolarHBondContact NH1-OH 3.1Å; M623-Y627 HydrophobicContact CG-CD2 3.66Å; M623-Y627 HydrophobicContact CG-CE2 3.93Å; M623-Y627 VanDerWaalsContact O-CD2 3.3Å; M623-Y627 WeakPolarHBondContact O-CD2 3.4Å; M623-Y627 PolarHBondContact O-N 3.11Å; I624-Y627 PolarHBondContact O-N 3.28Å; T625-Y627 VanDerWaalsContact C-N 3.29Å; T625-Y627 PolarHBondContact O-N 3.37Å; Y627-L629 PolarHBondContact O-N 2.95Å |
| 628 | H | 88.8 | Confident | 92.1 | Very high | 106 Ų | 106 | 50 Ų | 50 | 49% | 0.491 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.2 | -179.8 | -53.7 | 92.3 | 0 | 0 | 0 | 113.1 | I624 T625 | I624-H628 PolarHBondContact O-N 2.83Å; T625-H628 PolarHBondContact O-N 2.64Å |
| 629 | L | 90.6 | Very high | 91.6 | Very high | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 161.8 | 179.8 | -64.7 | 175.7 | 0 | 0 | 0 | 110.8 | F589 F602 I624 Y627 | F589-L629 HydrophobicContact CE1-CD1 4.24Å; F589-L629 HydrophobicContact CE2-CD1 4.08Å; F589-L629 HydrophobicContact CE2-CD2 3.81Å; F589-L629 HydrophobicContact CZ-CD1 3.9Å; F589-L629 HydrophobicContact CZ-CD2 3.91Å; F589-L629 HydrophobicContact CZ-CG 4.31Å; F602-L629 HydrophobicContact CD2-CD1 3.98Å; F602-L629 HydrophobicContact CE2-CD1 3.56Å; I624-L629 HydrophobicContact CG2-CB 4.07Å; I624-L629 WeakPolarHBondContact CG2-O 3.44Å; I624-L629 PolarHBondContact O-N 2.88Å; Y627-L629 PolarHBondContact O-N 2.95Å |
| 630 | P | 89.9 | Confident | 91 | Very high | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 155.3 | 170.9 | 29.2 | -35.9 | 0 | 0 | 0 | 110.9 | C600 L601 I624 M774 F783 | C600-P630 WeakPolarHBondContact O-CD 3.35Å; C600-P630 WeakPolarHBondContact O-CG 3.37Å; L601-P630 HydrophobicContact CD1-CB 4.3Å; L601-P630 HydrophobicContact CD1-CG 3.87Å; I624-P630 WeakPolarHBondContact CG2-O 3.3Å; P630-M774 HydrophobicContact CB-SD 4.4Å; P630-M774 HydrophobicContact CG-CE 3.72Å; P630-M774 HydrophobicContact CG-SD 3.9Å; P630-F783 HydrophobicContact CB-CE1 4.18Å; P630-F783 HydrophobicContact CB-CZ 4.26Å; P630-F783 HydrophobicContact CG-CE1 4.32Å |
| 631 | P | 92.3 | Very high | 89.4 | Confident | 94 Ų | 94 | 57.9 Ų | 57.9 | 61% | 0.61 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -53 | 146.5 | 172.8 | -24.2 | 33.9 | 0 | 0 | 0 | 112.1 | E633 | P631-E633 PolarHBondContact O-N 3.41Š|
| 632 | I | 94.4 | Very high | 87.6 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 128.9 | 174.6 | -75.2 | 162.6 | 0 | 0 | 0 | 108.9 | Y574 F602 A604 P620 I624 | Y574-I632 HydrophobicContact CE1-CD1 4.22Å; Y574-I632 HydrophobicContact CE1-CG2 4.25Å; F602-I632 HydrophobicContact CB-CG1 3.67Å; F602-I632 WeakPolarHBondContact O-CA 3.41Å; A604-I632 HydrophobicContact CB-CG2 3.55Å; P620-I632 HydrophobicContact CB-CD1 3.52Å; I624-I632 HydrophobicContact CD1-CB 4.06Å; I624-I632 HydrophobicContact CD1-CD1 3.47Å; I624-I632 VanDerWaalsContact CD1-CD1 3.47Å; I624-I632 HydrophobicContact CD1-CG1 3.36Å; I624-I632 HydrophobicContact CG1-CD1 4.09Å; I624-I632 HydrophobicContact CG1-CG1 3.96Å |
| 633 | E | 95.2 | Very high | 85.7 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 132.8 | 171.3 | -74.7 | -68.7 | 138 | 0 | 0 | 110.1 | L601 F602 V603 A604 P631 S766 V767 L770 | L601-E633 HydrophobicContact CD1-CG 4.19Å; L601-E633 HydrophobicContact CD2-CG 4.33Å; F602-E633 PolarHBondContact O-N 3.15Å; F602-E633 VanDerWaalsContact O-N 3.13Å; V603-E633 CarbonylContact C-O 3.55Å; V603-E633 VanDerWaalsContact CA-O 3.3Å; V603-E633 WeakPolarHBondContact CA-O 3.43Å; A604-E633 PolarHBondContact N-O 3.16Å; P631-E633 PolarHBondContact O-N 3.41Å; E633-S766 WeakPolarHBondContact OE2-CB 3.46Å; E633-S766 PolarHBondContact OE2-OG 3.35Å; E633-V767 HydrophobicContact CB-CB 4.45Å; E633-V767 HydrophobicContact CB-CG2 4.38Å; E633-L770 HydrophobicContact CG-CD2 3.54Å |
| 634 | S | 94.7 | Very high | 83.1 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 141.6 | 173.7 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | A604 | A604-S634 WeakPolarHBondContact O-CA 3.21Å |
| 635 | F | 95.8 | Very high | 80.5 | Confident | 11 Ų | 11 | 77 Ų | 77 | 5% | 0.048 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.4 | 177.1 | 179.8 | -94 | 0 | 0 | 0 | 111.9 | L504 V603 A604 A605 K606 S607 L640 V767 Y768 | L504-F635 HydrophobicContact CB-CD1 4.25Å; L504-F635 HydrophobicContact CB-CE1 3.99Å; L504-F635 HydrophobicContact CB-CZ 4.38Å; L504-F635 HydrophobicContact CD1-CB 4.29Å; L504-F635 HydrophobicContact CD1-CD1 3.79Å; L504-F635 HydrophobicContact CD1-CD2 3.53Å; L504-F635 HydrophobicContact CD1-CE1 3.95Å; L504-F635 HydrophobicContact CD1-CE2 3.69Å; L504-F635 HydrophobicContact CD1-CG 3.58Å; L504-F635 HydrophobicContact CD1-CZ 3.9Å; V603-F635 HydrophobicContact CG1-CB 3.78Å; A604-F635 PolarHBondContact O-N 2.89Å; A605-F635 CarbonylContact C-O 3.24Å; A605-F635 WeakPolarHBondContact CA-O 3.44Å; K606-F635 PolarHBondContact N-O 2.73Å; S607-F635 PolarHBondContact N-O 3.24Å; S607-F635 PolarHBondContact OG-O 2.87Å; F635-L640 HydrophobicContact CE2-CD1 4.42Å; F635-L640 HydrophobicContact CZ-CD1 4.07Å; F635-V767 HydrophobicContact CD2-CG1 4.11Å; F635-Y768 WeakPolarHBondContact CE2-OH 3.36Å |
| 636 | S | 93.7 | Very high | 77.5 | Confident | 8 Ų | 8 | 80.2 Ų | 80.2 | 6% | 0.056 | 39% | 0.386 | C | S | . | . | trans | -139.1 | 134.5 | 166.8 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | D608 V638 Y639 | D608-S636 WeakPolarHBondContact OD1-CB 3.48Å; D608-S636 PolarHBondContact OD1-OG 3.3Å; S636-V638 VanDerWaalsContact C-N 3.26Å; S636-V638 PolarHBondContact O-N 3.49Å; S636-V638 PolarHBondContact OG-N 2.88Å; S636-V638 VanDerWaalsContact OG-N 3.12Å; S636-Y639 VanDerWaalsContact CB-CD2 3.49Å | ||
| 637 | S | 91.8 | Very high | 74.7 | Confident | 6 Ų | 6 | 84 Ų | 84 | 4% | 0.042 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -71.9 | -21.9 | 174.1 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | S512 L513 Y639 L640 | S512-S637 WeakPolarHBondContact CB-O 3.49Å; L513-S637 PolarHBondContact N-OG 3.2Å; S637-Y639 VanDerWaalsContact C-N 3.34Å; S637-Y639 PolarHBondContact O-N 3.05Å; S637-L640 WeakPolarHBondContact O-CB 3.49Å; S637-L640 PolarHBondContact O-N 3.45Å |
| 638 | V | 87 | Confident | 71.8 | Confident | 62 Ų | 62 | 90.2 Ų | 90.2 | 38% | 0.376 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -37 | 179.1 | -178.2 | 0 | 0 | 0 | 0 | 111 | L513 S636 L640 | L513-V638 HydrophobicContact CD1-CG2 4.45Å; S636-V638 VanDerWaalsContact C-N 3.26Å; S636-V638 PolarHBondContact O-N 3.49Å; S636-V638 PolarHBondContact OG-N 2.88Å; S636-V638 VanDerWaalsContact OG-N 3.12Å; V638-L640 PolarHBondContact O-N 3.23Å |
| 639 | Y | 80.1 | Confident | 69 | Low | 128 Ų | 128 | 90.2 Ų | 90.2 | 50% | 0.502 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -0.2 | -179.1 | -58.6 | -42.6 | 0 | 0 | 0 | 114.2 | D608 S636 S637 L641 R765 | D608-Y639 WeakPolarHBondContact CA-OH 3.46Å; D608-Y639 HydrophobicContact CB-CE1 4.44Å; D608-Y639 HydrophobicContact CB-CE2 3.84Å; S636-Y639 VanDerWaalsContact CB-CD2 3.49Å; S637-Y639 VanDerWaalsContact C-N 3.34Å; S637-Y639 PolarHBondContact O-N 3.05Å; Y639-L641 PolarHBondContact O-N 2.89Å; Y639-R765 PolarHBondContact O-NH2 3.42Å |
| 640 | L | 78.6 | Confident | 66.2 | Low | 24 Ų | 24 | 96.6 Ų | 96.6 | 13% | 0.126 | 48% | 0.476 | C | S | . | . | trans | -80.8 | 71.5 | 171.1 | -62 | 174.3 | 0 | 0 | 0 | 109.6 | R511 S512 F635 S637 V638 R765 | R511-L640 WeakPolarHBondContact O-CD1 3.2Å; S512-L640 VanDerWaalsContact CB-CB 3.44Å; S512-L640 WeakPolarHBondContact CB-O 3.16Å; S512-L640 PolarHBondContact OG-O 3.31Å; F635-L640 HydrophobicContact CE2-CD1 4.42Å; F635-L640 HydrophobicContact CZ-CD1 4.07Å; S637-L640 WeakPolarHBondContact O-CB 3.49Å; S637-L640 PolarHBondContact O-N 3.45Å; V638-L640 PolarHBondContact O-N 3.23Å; L640-R765 HydrophobicContact CD2-CG 4Å | ||
| 641 | L | 61.1 | Low | 63.4 | Low | 140 Ų | 140 | 103 Ų | 103 | 73% | 0.733 | 51% | 0.51 | S | S | * | . | trans | -68.5 | 132.6 | 176.9 | -79 | 159.2 | 0 | 0 | 0 | 111 | Y639 K643 | Y639-L641 PolarHBondContact O-N 2.89Å; L641-K643 PolarHBondContact O-N 3.34Å | ||
| 642 | P | 54.7 | Low | 60.4 | Low | 68 Ų | 68 | 105.9 Ų | 105.9 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | trans | -62.2 | 127.7 | 168.1 | -17.5 | 29.4 | 0 | 0 | 0 | 109.8 | R644 | P642-R644 PolarHBondContact O-N 2.87Š| ||
| 643 | K | 52.1 | Low | 57.4 | Low | 146 Ų | 146 | 109.2 Ų | 109.2 | 64% | 0.635 | 55% | 0.546 | S | S | * | . | trans | -60.7 | 100.1 | 174.8 | -70.8 | -175.9 | 178.6 | 178.9 | 0 | 109.3 | L641 K645 D763 | L641-K643 PolarHBondContact O-N 3.34Å; K643-K645 PolarHBondContact O-N 3.3Å; K643-D763 IonicContact NZ-OD2 3.73Å | ||
| 644 | R | 38.6 | Very low | 54.2 | Low | 224 Ų | 224 | 116.8 Ų | 116.8 | 85% | 0.845 | 58% | 0.579 | S | S | * | * | trans | -66.3 | 113.4 | 168.6 | -87.8 | -176.6 | 172.7 | 145.9 | -1.3 | 108.3 | P642 H646 | P642-R644 PolarHBondContact O-N 2.87Å; R644-H646 PolarHBondContact O-N 3.31Å | ||
| 645 | K | 36.9 | Very low | 51 | Low | 173 Ų | 173 | 118.1 Ų | 118.1 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | trans | -67.7 | 101 | 167.1 | -71.6 | -176.8 | 179.5 | 178.9 | 0 | 107.6 | K643 Y647 | K643-K645 PolarHBondContact O-N 3.3Å; K645-Y647 HydrophobicContact CB-CE2 4.23Å; K645-Y647 PolarHBondContact O-N 3.07Å | ||
| 646 | H | 30.2 | Very low | 47.9 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 79% | 0.792 | 63% | 0.628 | S | S | * | * | trans | -65.2 | 98 | 169.7 | -80.4 | -84.5 | 0 | 0 | 0 | 108.9 | R644 L648 | R644-H646 PolarHBondContact O-N 3.31Å; H646-L648 PolarHBondContact O-N 3.01Å | ||
| 647 | Y | 31.7 | Very low | 44.6 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | trans | -79.4 | 106.4 | 154.8 | -69.3 | -79.1 | 0 | 0 | 0 | 106.2 | K645 P649 | K645-Y647 HydrophobicContact CB-CE2 4.23Å; K645-Y647 PolarHBondContact O-N 3.07Å; Y647-P649 WeakPolarHBondContact O-CD 3.3Å | ||
| 648 | L | 29.3 | Very low | 41.5 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 80% | 0.801 | 70% | 0.695 | S | S | * | * | trans | -59.8 | 122.2 | 166.4 | -79.1 | 158.2 | 0 | 0 | 0 | 107.2 | H646 L650 | H646-L648 PolarHBondContact O-N 3.01Å; L648-L650 PolarHBondContact O-N 3.16Å | ||
| 649 | P | 30.5 | Very low | 38.7 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 69% | 0.688 | 72% | 0.717 | S | S | * | * | trans | -67.6 | 123.4 | 178 | 26.3 | -28.8 | 0 | 0 | 0 | 108.1 | Y647 N651 | Y647-P649 WeakPolarHBondContact O-CD 3.3Å; P649-N651 PolarHBondContact O-N 3.06Å | ||
| 650 | L | 31.5 | Very low | 36.3 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -61.4 | 107.1 | 169.6 | -85.2 | 95.7 | 0 | 0 | 0 | 107.9 | L648 N652 | L648-L650 PolarHBondContact O-N 3.16Å; L650-N652 PolarHBondContact O-N 3.4Å | ||
| 651 | N | 31.7 | Very low | 33.8 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -64.1 | 96.8 | 170.3 | -85.2 | -6.8 | 0 | 0 | 0 | 109.2 | P649 S653 | P649-N651 PolarHBondContact O-N 3.06Å; N651-S653 PolarHBondContact O-N 2.93Å | ||
| 652 | N | 28.2 | Very low | 32.3 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -81.5 | 91.1 | 159.1 | -85.1 | -11.3 | 0 | 0 | 0 | 108.1 | L650 | L650-N652 PolarHBondContact O-N 3.4Š| ||
| 653 | S | 31.4 | Very low | 30.9 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -124.5 | 75.9 | 164.3 | 60.2 | 0 | 0 | 0 | 0 | 108.8 | N651 | N651-S653 PolarHBondContact O-N 2.93Š| ||
| 654 | F | 28.1 | Very low | 29.7 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | trans | -99.1 | 92.3 | 162 | -98.1 | -82.8 | 0 | 0 | 0 | 107.6 | ||||
| 655 | S | 27.3 | Very low | 29 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | 166 | 102.1 | 154.8 | 53.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 656 | D | 31.9 | Very low | 28.6 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | 179 | 122.7 | 109.1 | -85.3 | -23.5 | 0 | 0 | 0 | 110.2 | |||||
| 657 | L | 24.9 | Very low | 28.2 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -73.2 | 154.4 | 173.2 | -82.3 | 139.8 | 0 | 0 | 0 | 110.3 | ||||
| 658 | S | 26.3 | Very low | 28.1 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | 103 | 118.8 | 140.6 | 81.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 659 | N | 27.3 | Very low | 28 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | 76.7 | 96.1 | 138.1 | -57.3 | -14.7 | 0 | 0 | 0 | 119.1 | ||||
| 660 | A | 30 | Very low | 27.8 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | -164 | 97.8 | 126.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 661 | A | 26.2 | Very low | 27.6 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -95.2 | 117.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 662 | T | 28.7 | Very low | 27.3 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 170.5 | 110.1 | 152.6 | 28.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 663 | A | 25.6 | Very low | 27.3 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | 63.2 | 121.6 | 98.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 664 | T | 27.2 | Very low | 27.2 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | cis | -165.8 | 148.2 | 36.9 | 34.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 665 | T | 24 | Very low | 27.1 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -15 | 118.8 | 154.4 | 43.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 666 | T | 27.9 | Very low | 27.1 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -134.5 | 105.3 | 145.9 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 667 | T | 23.2 | Very low | 26.8 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 126.8 | 166.9 | 42.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 668 | S | 30 | Very low | 26.8 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -164.2 | 108.1 | 148.5 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 669 | N | 26.1 | Very low | 26.7 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | 12.2 | 124.6 | 138.9 | -54.1 | -14 | 0 | 0 | 0 | 115.1 | ||||
| 670 | G | 25.6 | Very low | 26.6 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | cis | 125.6 | 109.5 | 41.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 671 | N | 29.1 | Very low | 26.3 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -165 | 85.3 | 162 | -98.5 | -8.6 | 0 | 0 | 0 | 106.4 | ||||
| 672 | G | 25.1 | Very low | 26.2 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -83 | 115.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 673 | L | 28.5 | Very low | 26.1 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -113.1 | 108.2 | 146.5 | -97.7 | 95.9 | 0 | 0 | 0 | 105.9 | D675 | L673-D675 PolarHBondContact O-N 3.38Š| ||
| 674 | D | 28.1 | Very low | 26 | Very low | 154 Ų | 154 | 136 Ų | 136 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -68.5 | 102.4 | 172.2 | -84.4 | -35.7 | 0 | 0 | 0 | 109.1 | T676 | D674-T676 PolarHBondContact O-N 2.76Š| ||
| 675 | D | 26.7 | Very low | 25.9 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -69 | 84.6 | 158.4 | -81.9 | -31.3 | 0 | 0 | 0 | 108.4 | L673 N677 | L673-D675 PolarHBondContact O-N 3.38Å; D675-N677 PolarHBondContact O-N 3.33Å | ||
| 676 | T | 27.8 | Very low | 26.1 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | trans | -69.3 | 86.4 | 165.4 | 51 | 0 | 0 | 0 | 0 | 108.8 | D674 T678 | D674-T676 PolarHBondContact O-N 2.76Å; T676-T678 PolarHBondContact O-N 3.35Å | ||
| 677 | N | 23.6 | Very low | 26.1 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -62.2 | 80.8 | 160.8 | -88.5 | -34.6 | 0 | 0 | 0 | 109 | D675 T679 | D675-N677 PolarHBondContact O-N 3.33Å; N677-T679 PolarHBondContact O-N 2.94Å | ||
| 678 | T | 24.9 | Very low | 26.3 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | trans | -72.1 | 87.5 | 163.5 | 47.7 | 0 | 0 | 0 | 0 | 107.9 | T676 T680 | T676-T678 PolarHBondContact O-N 3.35Å; T678-T680 PolarHBondContact O-N 3.39Å | ||
| 679 | T | 25.3 | Very low | 26.1 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -53.1 | 106.5 | 160.4 | 43 | 0 | 0 | 0 | 0 | 108.1 | N677 L681 | N677-T679 PolarHBondContact O-N 2.94Å; T679-L681 VanDerWaalsContact C-N 3.31Å; T679-L681 PolarHBondContact O-N 3.43Å | ||
| 680 | T | 24.2 | Very low | 26.2 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -65.5 | 92.8 | 172.7 | 42.6 | 0 | 0 | 0 | 0 | 108.2 | T678 S682 | T678-T680 PolarHBondContact O-N 3.39Å; T680-S682 PolarHBondContact O-N 2.94Å | ||
| 681 | L | 23.6 | Very low | 26.1 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -53.2 | 108.7 | 165.3 | -88.6 | 149.7 | 0 | 0 | 0 | 107.6 | T679 T683 | T679-L681 VanDerWaalsContact C-N 3.31Å; T679-L681 PolarHBondContact O-N 3.43Å; L681-T683 PolarHBondContact O-N 3.33Å | ||
| 682 | S | 24.9 | Very low | 26 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -53.4 | 102.5 | 172.7 | 54.8 | 0 | 0 | 0 | 0 | 108.6 | T680 R684 | T680-S682 PolarHBondContact O-N 2.94Å; S682-R684 PolarHBondContact O-N 3.07Å | ||
| 683 | T | 25.9 | Very low | 26 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -59.9 | 105 | 175.5 | 43 | 0 | 0 | 0 | 0 | 108.3 | L681 R685 | L681-T683 PolarHBondContact O-N 3.33Å; T683-R685 PolarHBondContact O-N 3.07Å | ||
| 684 | R | 24.9 | Very low | 25.9 | Very low | 244 Ų | 244 | 141.3 Ų | 141.3 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -57.8 | 97.6 | 170.4 | -154.2 | 178.2 | -170 | -168.2 | 1.3 | 107 | S682 R686 | S682-R684 PolarHBondContact O-N 3.07Å; R684-R686 PolarHBondContact O-N 3.01Å | ||
| 685 | R | 25 | Very low | 25.6 | Very low | 242 Ų | 242 | 146.1 Ų | 146.1 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -63.3 | 100.1 | 176.4 | -76.8 | -173.2 | -177 | -179.1 | 2.1 | 107.8 | T683 A687 | T683-R685 PolarHBondContact O-N 3.07Å; R685-A687 PolarHBondContact O-N 3.38Å | ||
| 686 | R | 27 | Very low | 25.5 | Very low | 237 Ų | 237 | 143.7 Ų | 143.7 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -75.5 | 109.5 | 168.6 | -158.5 | 173.8 | -170.4 | 176.8 | 1.4 | 106.4 | R684 G688 | R684-R686 PolarHBondContact O-N 3.01Å; R686-G688 PolarHBondContact O-N 3.45Å | ||
| 687 | A | 29.5 | Very low | 25.3 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -63.5 | 116.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109 | R685 | R685-A687 PolarHBondContact O-N 3.38Š|
| 688 | G | 26.4 | Very low | 25.4 | Very low | 69 Ų | 69 | 144.7 Ų | 144.7 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 134.9 | 110.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R686 | R686-G688 PolarHBondContact O-N 3.45Š|
| 689 | S | 26.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 81.2 | 97.5 | -178.6 | -162.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 690 | A | 28 | Very low | 25.5 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -143 | 96.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 691 | D | 24.4 | Very low | 25.5 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -56.4 | 154.6 | 163.5 | -78.5 | -44.2 | 0 | 0 | 0 | 110.8 | I693 | D691-I693 PolarHBondContact O-N 2.92Š| ||
| 692 | P | 26.1 | Very low | 25.5 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -70.7 | 115.9 | -163.8 | 27 | -33.1 | 0 | 0 | 0 | 111.9 | S694 | P692-S694 PolarHBondContact O-N 3.47Å; P692-S694 VanDerWaalsContact O-N 3.16Å | ||
| 693 | I | 25.7 | Very low | 25.5 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -65.6 | 114.2 | 169.1 | -61 | 171.5 | 0 | 0 | 0 | 108 | D691 | D691-I693 PolarHBondContact O-N 2.92Š| ||
| 694 | S | 25.6 | Very low | 25.4 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -60.7 | 131.5 | 173.9 | -31 | 0 | 0 | 0 | 0 | 109.7 | P692 S696 | P692-S694 PolarHBondContact O-N 3.47Å; P692-S694 VanDerWaalsContact O-N 3.16Å; S694-S696 PolarHBondContact O-N 3.2Å; S694-S696 VanDerWaalsContact O-N 3.13Å | ||
| 695 | R | 22.6 | Very low | 25.6 | Very low | 256 Ų | 256 | 141 Ų | 141 | 97% | 0.966 | 80% | 0.803 | S | S | * | * | trans | -52 | 113.8 | 173.6 | -81.5 | 175.8 | 167.4 | 176 | -4.5 | 110.8 | ||||
| 696 | S | 24.3 | Very low | 25.5 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -110.5 | 111.5 | 155.2 | 61.1 | 0 | 0 | 0 | 0 | 108.8 | S694 L698 | S694-S696 PolarHBondContact O-N 3.2Å; S694-S696 VanDerWaalsContact O-N 3.13Å; S696-L698 PolarHBondContact O-N 3.33Å | ||
| 697 | S | 23.3 | Very low | 25.6 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -54.9 | 113.9 | 172 | 45.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 698 | L | 26.4 | Very low | 25.3 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -107.6 | 111.7 | 163.7 | -80.8 | 159.6 | 0 | 0 | 0 | 107.8 | S696 | S696-L698 PolarHBondContact O-N 3.33Š| ||
| 699 | T | 26.5 | Very low | 25.4 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 129 | 175.8 | 44.2 | 0 | 0 | 0 | 0 | 110.5 | N701 | T699-N701 PolarHBondContact O-N 3.2Š| ||
| 700 | S | 25.3 | Very low | 25.6 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -60.7 | 111.8 | 175.1 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 701 | N | 24.9 | Very low | 25.5 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -90.8 | 107.4 | 160.4 | -83.4 | -11 | 0 | 0 | 0 | 108.5 | T699 L703 | T699-N701 PolarHBondContact O-N 3.2Å; N701-L703 PolarHBondContact O-N 3.47Å | ||
| 702 | T | 23.5 | Very low | 25.6 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -61.3 | 107.6 | 167.3 | 32.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 703 | L | 24.9 | Very low | 25.5 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -101 | 99.2 | 164.9 | -79.4 | 167.4 | 0 | 0 | 0 | 108.8 | N701 N705 | N701-L703 PolarHBondContact O-N 3.47Å; L703-N705 PolarHBondContact O-N 3.03Å | ||
| 704 | T | 23.6 | Very low | 25.5 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -70.7 | 109 | 164.5 | 47.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 705 | N | 27.7 | Very low | 25.7 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -116.9 | 99.9 | 165.8 | -88.1 | -15.5 | 0 | 0 | 0 | 109.7 | L703 L707 | L703-N705 PolarHBondContact O-N 3.03Å; N705-L707 PolarHBondContact O-N 3.24Å | ||
| 706 | N | 24.2 | Very low | 25.9 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -59.3 | 120 | 162.2 | -75.6 | -45 | 0 | 0 | 0 | 109.6 | ||||
| 707 | L | 28.4 | Very low | 25.9 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -129.8 | 78 | 159.5 | -100.6 | 145.8 | 0 | 0 | 0 | 107.6 | N705 | N705-L707 PolarHBondContact O-N 3.24Š| ||
| 708 | N | 23.2 | Very low | 26.1 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -78.4 | 113.7 | 159.1 | -80.5 | -23.4 | 0 | 0 | 0 | 107.5 | ||||
| 709 | Q | 28.3 | Very low | 26.2 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -135 | 141.6 | 148.8 | -83.3 | -161.4 | -1.9 | 0 | 0 | 110.3 | ||||
| 710 | P | 31.8 | Very low | 26 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | trans | -98.2 | 134.8 | -155.7 | 28.9 | -15 | 0 | 0 | 0 | 112.7 | L712 | P710-L712 PolarHBondContact O-N 3.08Š| ||
| 711 | L | 24.9 | Very low | 25.9 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | 22.6 | 93.9 | 131.7 | -67.9 | 155.6 | 0 | 0 | 0 | 115.9 | ||||
| 712 | L | 26 | Very low | 25.9 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | trans | -80.4 | 113 | 154.2 | -88.9 | 158.3 | 0 | 0 | 0 | 108.5 | P710 | P710-L712 PolarHBondContact O-N 3.08Š| ||
| 713 | N | 25.2 | Very low | 26.1 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | -66.4 | 139.2 | 178.4 | -92.6 | -20.5 | 0 | 0 | 0 | 112.8 | ||||
| 714 | S | 25.7 | Very low | 26.1 | Very low | 94 Ų | 94 | 143.9 Ų | 143.9 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | 35 | 106.8 | 139.9 | 65.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 715 | H | 28.6 | Very low | 26.2 | Very low | 186 Ų | 186 | 145.7 Ų | 145.7 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -120.5 | 108.7 | 142.9 | -91 | -67.2 | 0 | 0 | 0 | 109.8 | ||||
| 716 | D | 28.2 | Very low | 26.2 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | 14.2 | 112.8 | 153.6 | -60.4 | -41.7 | 0 | 0 | 0 | 119.2 | A718 | D716-A718 PolarHBondContact O-N 3.34Š| ||
| 717 | S | 24.2 | Very low | 26.2 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -52.2 | 114.1 | 147.9 | 45 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 718 | A | 25.9 | Very low | 25.9 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | trans | -154.6 | 127.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D716 | D716-A718 PolarHBondContact O-N 3.34Š| ||
| 719 | S | 28.5 | Very low | 26 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 61.2 | 80.9 | 156.9 | 57.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 720 | L | 22.8 | Very low | 26 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | trans | -73.7 | 104 | 138.8 | -100.8 | 110.8 | 0 | 0 | 0 | 107.7 | ||||
| 721 | E | 23.4 | Very low | 25.6 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | -172.3 | 140.9 | 149.6 | -109.5 | 170.5 | -166.5 | 0 | 0 | 108.5 | ||||
| 722 | N | 26.1 | Very low | 25.8 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 86.1 | 83.2 | 175.3 | -51.5 | -30.3 | 0 | 0 | 0 | 117 | ||||
| 723 | S | 27.5 | Very low | 25.8 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -162.1 | 60.4 | 139.6 | -76 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 724 | L | 24.3 | Very low | 25.8 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -129 | 77.6 | 162.6 | -83.9 | 174.5 | 0 | 0 | 0 | 106.4 | ||||
| 725 | N | 25.8 | Very low | 25.8 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -168.7 | 91.5 | 164.6 | -88.8 | -24.8 | 0 | 0 | 0 | 106.4 | ||||
| 726 | D | 28.1 | Very low | 25.6 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -168.9 | 65.8 | 152.9 | -88.9 | -22.2 | 0 | 0 | 0 | 107.1 | ||||
| 727 | I | 24.1 | Very low | 25.5 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -123.5 | 92.6 | 162.1 | -60.3 | 175.3 | 0 | 0 | 0 | 104.8 | ||||
| 728 | C | 22.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -164.7 | 141.4 | 152.4 | -99.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 729 | D | 25.5 | Very low | 25.5 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | trans | 74.4 | 86.1 | 160.5 | -57.9 | -21.2 | 0 | 0 | 0 | 118.9 | ||||
| 730 | N | 27.4 | Very low | 25.3 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -136.2 | 90.9 | 139.5 | -108 | -24.9 | 0 | 0 | 0 | 110.3 | Y732 | N730-Y732 HydrophobicContact CB-CD2 4.31Å; N730-Y732 HydrophobicContact CB-CE2 4.22Å; N730-Y732 PolarHBondContact O-N 3.31Å | ||
| 731 | S | 24.4 | Very low | 25.4 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -72.1 | 101 | 170.4 | 44.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 732 | Y | 27.9 | Very low | 25.5 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -109.5 | 106.7 | 165.3 | -78.7 | -80.8 | 0 | 0 | 0 | 110 | N730 V734 | N730-Y732 HydrophobicContact CB-CD2 4.31Å; N730-Y732 HydrophobicContact CB-CE2 4.22Å; N730-Y732 PolarHBondContact O-N 3.31Å; Y732-V734 PolarHBondContact O-N 3.45Å | ||
| 733 | S | 26.9 | Very low | 25.5 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -54.4 | 114.6 | 174.5 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | T735 | S733-T735 PolarHBondContact O-N 3.42Š| ||
| 734 | V | 25.6 | Very low | 25.5 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -74.7 | 104.7 | 170.8 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | Y732 | Y732-V734 PolarHBondContact O-N 3.45Š| ||
| 735 | T | 25.7 | Very low | 25.5 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -92.1 | 120.3 | 168.8 | 46.4 | 0 | 0 | 0 | 0 | 109.4 | S733 G737 | S733-T735 PolarHBondContact O-N 3.42Å; T735-G737 PolarHBondContact O-N 3.3Å; T735-G737 VanDerWaalsContact O-N 3.07Å | ||
| 736 | N | 23.9 | Very low | 25.6 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -63.7 | 101.8 | 176.9 | -83.5 | -25.4 | 0 | 0 | 0 | 110.7 | ||||
| 737 | G | 25.5 | Very low | 25.6 | Very low | 65 Ų | 65 | 148.5 Ų | 148.5 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | trans | -111.9 | 96.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T735 R739 | T735-G737 PolarHBondContact O-N 3.3Å; T735-G737 VanDerWaalsContact O-N 3.07Å; G737-R739 PolarHBondContact O-N 3.24Å | ||
| 738 | S | 24 | Very low | 25.7 | Very low | 126 Ų | 126 | 148 Ų | 148 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -58.8 | 96.4 | 174.6 | -39.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 739 | R | 25.3 | Very low | 25.8 | Very low | 237 Ų | 237 | 152.9 Ų | 152.9 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -102.4 | 98.7 | 172.6 | -80.9 | -174.5 | 172.1 | 178 | -1.2 | 110.9 | G737 R741 | G737-R739 PolarHBondContact O-N 3.24Å; R739-R741 PolarHBondContact O-N 2.77Å | ||
| 740 | S | 24.4 | Very low | 25.8 | Very low | 97 Ų | 97 | 153.7 Ų | 153.7 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -51.1 | 116.3 | 164.1 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | H742 | S740-H742 PolarHBondContact O-N 2.77Å; S740-H742 VanDerWaalsContact O-N 3.13Å | ||
| 741 | R | 26.6 | Very low | 25.7 | Very low | 230 Ų | 230 | 154 Ų | 154 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -75.3 | 94.9 | 174 | -79.6 | -179.9 | 174.4 | 167.7 | -2.2 | 108.8 | R739 H743 | R739-R741 PolarHBondContact O-N 2.77Å; R741-H743 PolarHBondContact O-N 3.19Å | ||
| 742 | H | 25.1 | Very low | 25.8 | Very low | 170 Ų | 170 | 153.6 Ų | 153.6 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | trans | -69.5 | 119.6 | 163.6 | -82.1 | -73.7 | 0 | 0 | 0 | 109.3 | S740 S744 | S740-H742 PolarHBondContact O-N 2.77Å; S740-H742 VanDerWaalsContact O-N 3.13Å; H742-S744 PolarHBondContact O-N 3.32Å | ||
| 743 | H | 24.7 | Very low | 25.6 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -61.4 | 102.9 | 172.9 | -70.3 | -77.5 | 0 | 0 | 0 | 110.2 | R741 | R741-H743 PolarHBondContact O-N 3.19Š| ||
| 744 | S | 28.7 | Very low | 25.6 | Very low | 122 Ų | 122 | 157 Ų | 157 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -73.2 | 129.7 | 168.7 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | H742 | H742-S744 PolarHBondContact O-N 3.32Š| ||
| 745 | R | 23.9 | Very low | 25.7 | Very low | 229 Ų | 229 | 156.9 Ų | 156.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -88.1 | 139.7 | -175.3 | -125.3 | 176.1 | 167.6 | -179.3 | -5.7 | 110.7 | ||||
| 746 | S | 28.7 | Very low | 25.9 | Very low | 93 Ų | 93 | 159 Ų | 159 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | 53.8 | 86.6 | 146.1 | 58.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 747 | D | 27.5 | Very low | 26 | Very low | 175 Ų | 175 | 159.8 Ų | 159.8 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | trans | -102.8 | 68.4 | 144.8 | -74.9 | -32.9 | 0 | 0 | 0 | 109.1 | ||||
| 748 | L | 26.6 | Very low | 26.2 | Very low | 154 Ų | 154 | 161.6 Ų | 161.6 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -102.2 | 105.5 | 160.3 | -83.1 | 166.5 | 0 | 0 | 0 | 106.2 | ||||
| 749 | Y | 23.8 | Very low | 26.9 | Very low | 219 Ų | 219 | 161.9 Ų | 161.9 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | 153.9 | 78.1 | 151.5 | -99.1 | -84.5 | 0 | 0 | 0 | 108.2 | ||||
| 750 | N | 25.5 | Very low | 27.7 | Very low | 157 Ų | 157 | 154.7 Ų | 154.7 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -147.2 | 88.9 | 146.9 | -101.1 | -25.5 | 0 | 0 | 0 | 109.4 | T752 | N750-T752 VanDerWaalsContact C-N 3.29Å; N750-T752 PolarHBondContact O-N 3.19Å | ||
| 751 | N | 24.7 | Very low | 28.8 | Very low | 144 Ų | 144 | 158.2 Ų | 158.2 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 86.4 | 170.9 | -158.2 | 7.7 | 0 | 0 | 0 | 108.4 | ||||
| 752 | T | 26.7 | Very low | 30.2 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -105.8 | 104.4 | 158.7 | 51.6 | 0 | 0 | 0 | 0 | 107.1 | N750 R754 | N750-T752 VanDerWaalsContact C-N 3.29Å; N750-T752 PolarHBondContact O-N 3.19Å; T752-R754 PolarHBondContact O-N 3.27Å | ||
| 753 | N | 25 | Very low | 32.5 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -54 | 74.9 | 165.3 | -91.7 | -29.8 | 0 | 0 | 0 | 109.8 | N755 | N753-N755 PolarHBondContact O-N 3.19Š| ||
| 754 | R | 26.6 | Very low | 35.4 | Very low | 214 Ų | 214 | 139.8 Ų | 139.8 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | trans | -79 | 98.5 | 161.9 | -74.3 | -170.7 | 176.8 | -173.9 | 0.4 | 105.7 | T752 L756 | T752-R754 PolarHBondContact O-N 3.27Å; R754-L756 PolarHBondContact O-N 3.18Å | ||
| 755 | N | 26.1 | Very low | 38.2 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -32 | 102.2 | 163.1 | -90 | -61.2 | 0 | 0 | 0 | 110.6 | N753 K757 | N753-N755 PolarHBondContact O-N 3.19Å; N755-K757 HydrophobicContact CB-CB 4.49Å; N755-K757 PolarHBondContact O-N 2.95Å | ||
| 756 | L | 29.9 | Very low | 41.4 | Very low | 169 Ų | 169 | 132 Ų | 132 | 89% | 0.885 | 68% | 0.68 | S | S | * | * | trans | -71.5 | 29.6 | 167.5 | -91.3 | 132.6 | 0 | 0 | 0 | 111.8 | R754 S758 | R754-L756 PolarHBondContact O-N 3.18Å; L756-S758 VanDerWaalsContact C-N 3.33Å; L756-S758 PolarHBondContact O-N 3.15Å | ||
| 757 | K | 26.9 | Very low | 44.5 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | trans | -80.9 | 79.6 | 173 | -74.6 | -174.9 | 176.2 | 179.1 | 0 | 109.4 | N755 | N755-K757 HydrophobicContact CB-CB 4.49Å; N755-K757 PolarHBondContact O-N 2.95Å | ||
| 758 | S | 29.9 | Very low | 47.8 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 72% | 0.72 | 61% | 0.605 | S | S | * | * | trans | 168.4 | 73.3 | 140.3 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | L756 S760 | L756-S758 VanDerWaalsContact C-N 3.33Å; L756-S758 PolarHBondContact O-N 3.15Å; S758-S760 PolarHBondContact O-N 3.27Å | ||
| 759 | Q | 37.4 | Very low | 51 | Low | 131 Ų | 131 | 114.6 Ų | 114.6 | 61% | 0.612 | 58% | 0.579 | S | S | * | * | trans | -72.8 | 90.5 | 146 | -76.5 | -172 | -0.9 | 0 | 0 | 105.6 | Y405 E761 | Y405-Q759 PolarHBondContact OH-OE1 3.07Å; Q759-E761 PolarHBondContact O-N 2.99Å | ||
| 760 | S | 43.3 | Very low | 54.3 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 61% | 0.608 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 120.5 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 108.2 | S758 | S758-S760 PolarHBondContact O-N 3.27Š|
| 761 | E | 47.9 | Very low | 57.7 | Low | 170 Ų | 170 | 98.7 Ų | 98.7 | 79% | 0.794 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -48.8 | 139.2 | 168.3 | -77.2 | -172.8 | 150.9 | 0 | 0 | 109.9 | Q759 D763 | Q759-E761 PolarHBondContact O-N 2.99Å; E761-D763 PolarHBondContact O-N 3.12Å |
| 762 | P | 56 | Low | 61 | Low | 53 Ų | 53 | 91.9 Ų | 91.9 | 34% | 0.344 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 121.9 | 175.8 | 24.1 | -34.9 | 0 | 0 | 0 | 109.6 | F764 | P762-F764 HydrophobicContact CB-CD2 4.19Å; P762-F764 HydrophobicContact CB-CE2 3.74Å; P762-F764 HydrophobicContact CB-CZ 4.08Å; P762-F764 HydrophobicContact CG-CD2 4.15Å; P762-F764 HydrophobicContact CG-CE2 3.44Å; P762-F764 VanDerWaalsContact CG-CE2 3.44Å; P762-F764 HydrophobicContact CG-CZ 4.02Å; P762-F764 VanDerWaalsContact O-CD2 3.3Å; P762-F764 WeakPolarHBondContact O-CD2 3.46Å; P762-F764 PolarHBondContact O-N 3.47Å |
| 763 | D | 72.9 | Confident | 64.1 | Low | 130 Ų | 130 | 88.2 Ų | 88.2 | 70% | 0.695 | 45% | 0.45 | S | S | * | . | trans | -83.2 | 86.7 | -178.2 | -166.8 | 8.1 | 0 | 0 | 0 | 108.9 | K643 E761 | K643-D763 IonicContact NZ-OD2 3.73Å; E761-D763 PolarHBondContact O-N 3.12Å | ||
| 764 | F | 85.1 | Confident | 67.2 | Low | 19 Ų | 19 | 81.2 Ų | 81.2 | 8% | 0.083 | 41% | 0.413 | C | S | . | . | trans | -73.2 | 134.6 | 179.6 | -69.9 | -78 | 0 | 0 | 0 | 111.2 | Q362 L508 S534 G536 V537 P762 Y768 I769 | Q362-F764 VanDerWaalsContact NE2-CZ 3.3Å; L508-F764 HydrophobicContact CD1-CD1 4.1Å; L508-F764 HydrophobicContact CD1-CE1 3.91Å; S534-F764 WeakPolarHBondContact OG-CE1 3.24Å; S534-F764 WeakPolarHBondContact OG-CZ 3.32Å; G536-F764 VanDerWaalsContact C-CE2 3.42Å; G536-F764 WeakPolarHBondContact O-CE2 3.39Å; V537-F764 HydrophobicContact CB-CE2 4.37Å; V537-F764 HydrophobicContact CB-CZ 4.49Å; V537-F764 HydrophobicContact CG2-CD1 4.16Å; V537-F764 HydrophobicContact CG2-CD2 4.42Å; V537-F764 HydrophobicContact CG2-CE1 3.78Å; V537-F764 HydrophobicContact CG2-CE2 4.05Å; V537-F764 HydrophobicContact CG2-CG 4.44Å; V537-F764 HydrophobicContact CG2-CZ 3.69Å; P762-F764 HydrophobicContact CB-CD2 4.19Å; P762-F764 HydrophobicContact CB-CE2 3.74Å; P762-F764 HydrophobicContact CB-CZ 4.08Å; P762-F764 HydrophobicContact CG-CD2 4.15Å; P762-F764 HydrophobicContact CG-CE2 3.44Å; P762-F764 VanDerWaalsContact CG-CE2 3.44Å; P762-F764 HydrophobicContact CG-CZ 4.02Å; P762-F764 VanDerWaalsContact O-CD2 3.3Å; P762-F764 WeakPolarHBondContact O-CD2 3.46Å; P762-F764 PolarHBondContact O-N 3.47Å; F764-Y768 HydrophobicContact CD1-CD2 4.49Å; F764-I769 HydrophobicContact CB-CD1 4.2Å; F764-I769 HydrophobicContact CB-CG1 3.93Å; F764-I769 WeakPolarHBondContact O-CD1 3.5Å | ||
| 765 | R | 87.7 | Confident | 70.3 | Confident | 120 Ų | 120 | 71.5 Ų | 71.5 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | trans | -63.5 | 155.2 | 171.9 | -64.8 | -65.3 | -173.1 | 169.1 | 0.6 | 111.4 | Y639 L640 V767 Y768 I769 | Y639-R765 PolarHBondContact O-NH2 3.42Å; L640-R765 HydrophobicContact CD2-CG 4Å; R765-V767 HydrophobicContact CB-CG1 4.26Å; R765-V767 PolarHBondContact O-N 2.96Å; R765-Y768 HydrophobicContact CB-CD2 3.95Å; R765-Y768 HydrophobicContact CB-CE2 3.98Å; R765-Y768 HydrophobicContact CG-CE2 4.38Å; R765-Y768 PolarHBondContact O-N 2.79Å; R765-Y768 VanDerWaalsContact O-N 3.12Å; R765-I769 PolarHBondContact O-N 3.25Å | ||
| 766 | S | 90.2 | Very high | 73.3 | Confident | 68 Ų | 68 | 65.6 Ų | 65.6 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -51.3 | -41.3 | -179 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | E633 Y768 I769 L770 | E633-S766 WeakPolarHBondContact OE2-CB 3.46Å; E633-S766 PolarHBondContact OE2-OG 3.35Å; S766-Y768 VanDerWaalsContact C-N 3.33Å; S766-Y768 PolarHBondContact O-N 3.24Å; S766-I769 PolarHBondContact O-N 3.44Å; S766-L770 VanDerWaalsContact O-CB 3.27Å; S766-L770 WeakPolarHBondContact O-CB 3.45Å; S766-L770 PolarHBondContact O-N 3.33Å |
| 767 | V | 94.9 | Very high | 75.4 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.3 | -43.7 | -179.7 | 67 | 0 | 0 | 0 | 0 | 112.8 | L504 L601 V603 E633 F635 R765 L771 | L504-V767 HydrophobicContact CD1-CG1 4.16Å; L504-V767 HydrophobicContact CD1-CG2 4.38Å; L601-V767 HydrophobicContact CD2-CG2 4.16Å; V603-V767 HydrophobicContact CG1-CG2 4.48Å; V603-V767 HydrophobicContact CG2-CG2 3.81Å; E633-V767 HydrophobicContact CB-CB 4.45Å; E633-V767 HydrophobicContact CB-CG2 4.38Å; F635-V767 HydrophobicContact CD2-CG1 4.11Å; R765-V767 HydrophobicContact CB-CG1 4.26Å; R765-V767 PolarHBondContact O-N 2.96Å; V767-L771 HydrophobicContact CG2-CD1 4.42Å; V767-L771 VanDerWaalsContact O-CG 3.26Å; V767-L771 WeakPolarHBondContact O-CG 3.14Å; V767-L771 PolarHBondContact O-N 3.21Å |
| 768 | Y | 95.9 | Very high | 77 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.5 | -40.5 | -178.4 | -51.1 | -59.9 | 0 | 0 | 0 | 111.6 | L504 G507 L508 L546 M548 F635 F764 R765 S766 L770 L771 C772 | L504-Y768 HydrophobicContact CD1-CE1 4.07Å; L504-Y768 WeakPolarHBondContact O-CE1 3.33Å; L504-Y768 PolarHBondContact O-OH 3.25Å; G507-Y768 VanDerWaalsContact CA-OH 3.32Å; G507-Y768 WeakPolarHBondContact CA-OH 3.5Å; L508-Y768 HydrophobicContact CB-CD1 4.14Å; L508-Y768 HydrophobicContact CB-CE1 3.76Å; L508-Y768 HydrophobicContact CD1-CD1 3.66Å; L508-Y768 HydrophobicContact CD1-CD2 4.12Å; L508-Y768 HydrophobicContact CD1-CE1 4.17Å; L508-Y768 HydrophobicContact CD1-CG 3.64Å; L508-Y768 HydrophobicContact CG-CD1 4.42Å; L508-Y768 PolarHBondContact N-OH 3.23Å; L546-Y768 HydrophobicContact CD2-CD1 4.45Å; M548-Y768 HydrophobicContact SD-CD1 4.18Å; M548-Y768 HydrophobicContact SD-CE1 4.17Å; F635-Y768 WeakPolarHBondContact CE2-OH 3.36Å; F764-Y768 HydrophobicContact CD1-CD2 4.49Å; R765-Y768 HydrophobicContact CB-CD2 3.95Å; R765-Y768 HydrophobicContact CB-CE2 3.98Å; R765-Y768 HydrophobicContact CG-CE2 4.38Å; R765-Y768 PolarHBondContact O-N 2.79Å; R765-Y768 VanDerWaalsContact O-N 3.12Å; S766-Y768 VanDerWaalsContact C-N 3.33Å; S766-Y768 PolarHBondContact O-N 3.24Å; Y768-L770 VanDerWaalsContact C-N 3.3Å; Y768-L770 PolarHBondContact O-N 3.4Å; Y768-L771 PolarHBondContact O-N 2.9Å; Y768-C772 PolarHBondContact O-N 3.43Å |
| 769 | I | 93.7 | Very high | 78.1 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 174.7 | -63.8 | 173.3 | 0 | 0 | 0 | 109.9 | V537 P538 F764 R765 S766 C772 T773 | V537-I769 HydrophobicContact CG1-CG1 4.36Å; P538-I769 HydrophobicContact CG-CD1 4.08Å; P538-I769 HydrophobicContact CG-CG1 4.17Å; F764-I769 HydrophobicContact CB-CD1 4.2Å; F764-I769 HydrophobicContact CB-CG1 3.93Å; F764-I769 WeakPolarHBondContact O-CD1 3.5Å; R765-I769 PolarHBondContact O-N 3.25Å; S766-I769 PolarHBondContact O-N 3.44Å; I769-C772 PolarHBondContact O-N 2.93Å; I769-T773 VanDerWaalsContact O-CB 3.25Å; I769-T773 WeakPolarHBondContact O-CB 3.36Å; I769-T773 PolarHBondContact O-N 3.03Å; I769-T773 PolarHBondContact O-OG1 2.96Å |
| 770 | L | 93.9 | Very high | 78.7 | Confident | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.225 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | -180 | -175.3 | 60.1 | 0 | 0 | 0 | 111.6 | L601 E633 S766 Y768 C772 T773 M774 | L601-L770 HydrophobicContact CD1-CD2 3.56Å; L601-L770 HydrophobicContact CD1-CG 4.38Å; L601-L770 HydrophobicContact CD2-CB 4.45Å; L601-L770 HydrophobicContact CD2-CD2 3.94Å; L601-L770 HydrophobicContact CD2-CG 4.21Å; L601-L770 HydrophobicContact CG-CD2 4.41Å; E633-L770 HydrophobicContact CG-CD2 3.54Å; S766-L770 VanDerWaalsContact O-CB 3.27Å; S766-L770 WeakPolarHBondContact O-CB 3.45Å; S766-L770 PolarHBondContact O-N 3.33Å; Y768-L770 VanDerWaalsContact C-N 3.3Å; Y768-L770 PolarHBondContact O-N 3.4Å; L770-C772 PolarHBondContact O-N 2.8Å; L770-T773 PolarHBondContact O-N 3.3Å; L770-M774 HydrophobicContact CD1-CG 4.18Å; L770-M774 HydrophobicContact CD1-SD 4.24Å; L770-M774 HydrophobicContact CG-CG 4.4Å; L770-M774 HydrophobicContact CG-SD 3.97Å; L770-M774 WeakPolarHBondContact O-CB 3.43Å; L770-M774 VanDerWaalsContact O-CG 3.27Å; L770-M774 WeakPolarHBondContact O-CG 3.42Å; L770-M774 PolarHBondContact O-N 2.97Å |
| 771 | L | 95.8 | Very high | 78.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.9 | -49 | 174.2 | -75.2 | 170 | 0 | 0 | 0 | 111.6 | L546 M548 V569 C571 L601 V767 Y768 M774 A775 | L546-L771 HydrophobicContact CD2-CB 4.44Å; M548-L771 HydrophobicContact CE-CD1 4.16Å; V569-L771 HydrophobicContact CG1-CB 4.48Å; V569-L771 HydrophobicContact CG1-CD2 4.29Å; V569-L771 HydrophobicContact CG2-CD2 3.76Å; C571-L771 HydrophobicContact CB-CD1 4.42Å; C571-L771 HydrophobicContact CB-CD2 3.97Å; L601-L771 HydrophobicContact CB-CD2 3.94Å; L601-L771 HydrophobicContact CD2-CD2 3.77Å; L601-L771 HydrophobicContact CD2-CG 3.85Å; L601-L771 HydrophobicContact CG-CD2 4.49Å; V767-L771 HydrophobicContact CG2-CD1 4.42Å; V767-L771 VanDerWaalsContact O-CG 3.26Å; V767-L771 WeakPolarHBondContact O-CG 3.14Å; V767-L771 PolarHBondContact O-N 3.21Å; Y768-L771 PolarHBondContact O-N 2.9Å; L771-M774 PolarHBondContact O-N 2.9Å; L771-A775 WeakPolarHBondContact O-CB 3.37Å; L771-A775 PolarHBondContact O-N 3.02Å |
| 772 | C | 94 | Very high | 78.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -39 | 176.3 | -77.5 | 0 | 0 | 0 | 0 | 112.8 | V537 V539 L546 Y768 I769 L770 A775 N776 | V537-C772 HydrophobicContact CG1-CB 3.91Å; V539-C772 HydrophobicContact CG2-CB 3.45Å; V539-C772 VanDerWaalsContact CG2-CB 3.45Å; L546-C772 VanDerWaalsContact CB-SG 3.57Å; Y768-C772 PolarHBondContact O-N 3.43Å; I769-C772 PolarHBondContact O-N 2.93Å; L770-C772 PolarHBondContact O-N 2.8Å; C772-A775 PolarHBondContact O-N 3.16Å; C772-N776 WeakPolarHBondContact O-CB 3.31Å; C772-N776 PolarHBondContact O-N 3.13Å |
| 773 | T | 92.2 | Very high | 78.2 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 179 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | Y540 I769 L770 N776 Y777 | Y540-T773 HydrophobicContact CE2-CG2 3.9Å; Y540-T773 WeakPolarHBondContact OH-CG2 3.32Å; I769-T773 VanDerWaalsContact O-CB 3.25Å; I769-T773 WeakPolarHBondContact O-CB 3.36Å; I769-T773 PolarHBondContact O-N 3.03Å; I769-T773 PolarHBondContact O-OG1 2.96Å; L770-T773 PolarHBondContact O-N 3.3Å; T773-N776 PolarHBondContact O-N 3.43Å; T773-Y777 PolarHBondContact O-N 3.05Å; T773-Y777 VanDerWaalsContact O-N 3.09Å |
| 774 | M | 91.3 | Very high | 76.7 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 176 | -71.9 | 174.6 | 62.2 | 0 | 0 | 111.9 | V569 P599 L601 P630 L770 L771 N776 Y777 | V569-M774 HydrophobicContact CG2-CB 4.31Å; V569-M774 HydrophobicContact CG2-CE 4.49Å; P599-M774 HydrophobicContact CB-CB 3.99Å; P599-M774 HydrophobicContact CB-CE 3.49Å; P599-M774 VanDerWaalsContact CB-CE 3.49Å; L601-M774 HydrophobicContact CB-CE 4.23Å; L601-M774 HydrophobicContact CB-SD 4.03Å; L601-M774 HydrophobicContact CD1-SD 4.32Å; P630-M774 HydrophobicContact CB-SD 4.4Å; P630-M774 HydrophobicContact CG-CE 3.72Å; P630-M774 HydrophobicContact CG-SD 3.9Å; L770-M774 HydrophobicContact CD1-CG 4.18Å; L770-M774 HydrophobicContact CD1-SD 4.24Å; L770-M774 HydrophobicContact CG-CG 4.4Å; L770-M774 HydrophobicContact CG-SD 3.97Å; L770-M774 WeakPolarHBondContact O-CB 3.43Å; L770-M774 VanDerWaalsContact O-CG 3.27Å; L770-M774 WeakPolarHBondContact O-CG 3.42Å; L770-M774 PolarHBondContact O-N 2.97Å; L771-M774 PolarHBondContact O-N 2.9Å; M774-N776 VanDerWaalsContact C-N 3.34Å; M774-Y777 CarbonylContact O-C 3.45Å; M774-Y777 PolarHBondContact O-N 3.29Å |
| 775 | A | 91.8 | Very high | 74.7 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F489 D568 V569 L771 C772 | F489-A775 HydrophobicContact CB-CB 3.72Å; F489-A775 HydrophobicContact CD1-CB 3.71Å; F489-A775 HydrophobicContact CD2-CB 4.07Å; F489-A775 HydrophobicContact CE1-CB 4.36Å; F489-A775 HydrophobicContact CG-CB 3.55Å; D568-A775 HydrophobicContact CB-CB 4.01Å; V569-A775 HydrophobicContact CB-CB 4.14Å; V569-A775 HydrophobicContact CG1-CB 4.03Å; L771-A775 WeakPolarHBondContact O-CB 3.37Å; L771-A775 PolarHBondContact O-N 3.02Å; C772-A775 PolarHBondContact O-N 3.16Å |
| 776 | N | 87.9 | Confident | 72.6 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.3 | -31.9 | 179.1 | -167.6 | 52.7 | 0 | 0 | 0 | 112.8 | T484 F489 V539 C772 T773 M774 | T484-N776 WeakPolarHBondContact CG2-O 3.46Å; T484-N776 WeakPolarHBondContact CG2-OD1 3.47Å; F489-N776 HydrophobicContact CE2-CB 3.76Å; F489-N776 HydrophobicContact CZ-CB 3.65Å; F489-N776 WeakPolarHBondContact CZ-OD1 3.2Å; V539-N776 HydrophobicContact CG1-CB 3.87Å; V539-N776 WeakPolarHBondContact CG1-ND2 3.43Å; C772-N776 WeakPolarHBondContact O-CB 3.31Å; C772-N776 PolarHBondContact O-N 3.13Å; T773-N776 PolarHBondContact O-N 3.43Å; M774-N776 VanDerWaalsContact C-N 3.34Å |
| 777 | Y | 74.7 | Confident | 70.3 | Confident | 88 Ų | 88 | 62.8 Ų | 62.8 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | trans | -137.9 | 85 | 177.7 | -79.6 | -87.7 | 0 | 0 | 0 | 111.6 | R482 Y540 T773 M774 H779 Y780 | R482-Y777 WeakPolarHBondContact O-CE1 3.18Å; Y540-Y777 HydrophobicContact CD2-CD2 4.06Å; Y540-Y777 AromaticContact CD2-CE2 3.94Å; Y540-Y777 HydrophobicContact CD2-CE2 3.94Å; Y540-Y777 AromaticContact CE2-CD2 3.53Å; Y540-Y777 HydrophobicContact CE2-CD2 3.53Å; Y540-Y777 AromaticContact CE2-CE2 3.85Å; Y540-Y777 HydrophobicContact CE2-CE2 3.85Å; T773-Y777 PolarHBondContact O-N 3.05Å; T773-Y777 VanDerWaalsContact O-N 3.09Å; M774-Y777 CarbonylContact O-C 3.45Å; M774-Y777 PolarHBondContact O-N 3.29Å; Y777-H779 PolarHBondContact O-N 2.9Å; Y777-H779 VanDerWaalsContact O-N 3.07Å; Y777-Y780 PolarHBondContact O-N 3.27Å | ||
| 778 | P | 59.6 | Low | 68 | Low | 40 Ų | 40 | 66.9 Ų | 66.9 | 26% | 0.26 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.3 | 174.3 | 23.8 | -32.4 | 0 | 0 | 0 | 112.7 | P599 | P599-P778 HydrophobicContact CG-CB 3.65Š|
| 779 | H | 54.9 | Low | 65.8 | Low | 70 Ų | 70 | 70.3 Ų | 70.3 | 32% | 0.324 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 16.7 | -177.2 | -56 | -63.4 | 0 | 0 | 0 | 114.9 | A479 R482 Y777 R781 | A479-H779 VanDerWaalsContact CA-NE2 3.34Å; A479-H779 WeakPolarHBondContact CA-NE2 3.3Å; A479-H779 PolarHBondContact O-NE2 3.22Å; R482-H779 HydrophobicContact CG-CB 4.48Å; Y777-H779 PolarHBondContact O-N 2.9Å; Y777-H779 VanDerWaalsContact O-N 3.07Å; H779-R781 PolarHBondContact O-N 3.41Å |
| 780 | Y | 50.1 | Low | 64 | Low | 138 Ų | 138 | 72 Ų | 72 | 54% | 0.541 | 36% | 0.355 | S | S | . | . | trans | -51.1 | 129.5 | 174.2 | -159 | -97.4 | 0 | 0 | 0 | 109.6 | Y540 Y777 G782 F783 | Y540-Y780 WeakPolarHBondContact OH-CD2 3.47Å; Y540-Y780 VanDerWaalsContact OH-CE2 3.22Å; Y540-Y780 WeakPolarHBondContact OH-CE2 3.25Å; Y777-Y780 PolarHBondContact O-N 3.27Å; Y780-G782 PolarHBondContact O-N 3.33Å; Y780-F783 WeakPolarHBondContact O-CD2 3.21Å; Y780-F783 PolarHBondContact O-N 3.38Å | ||
| 781 | R | 42.1 | Very low | 62.2 | Low | 244 Ų | 244 | 73.8 Ų | 73.8 | 92% | 0.921 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | 120.7 | -172.8 | -73.4 | 179.7 | 173.7 | 177.1 | -2.2 | 110.3 | H779 | H779-R781 PolarHBondContact O-N 3.41Š|
| 782 | G | 47.3 | Very low | 60.2 | Low | 55 Ų | 55 | 81.1 Ų | 81.1 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.4 | -20.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y780 E784 | Y780-G782 PolarHBondContact O-N 3.33Å; G782-E784 PolarHBondContact O-N 3.06Å |
| 783 | F | 45.9 | Very low | 58.6 | Low | 68 Ų | 68 | 86.5 Ų | 86.5 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | trans | -80.2 | 58.5 | 167.6 | -53.7 | -53.3 | 0 | 0 | 0 | 110.2 | P630 Y780 L785 | P630-F783 HydrophobicContact CB-CE1 4.18Å; P630-F783 HydrophobicContact CB-CZ 4.26Å; P630-F783 HydrophobicContact CG-CE1 4.32Å; Y780-F783 WeakPolarHBondContact O-CD2 3.21Å; Y780-F783 PolarHBondContact O-N 3.38Å; F783-L785 PolarHBondContact O-N 2.82Å; F783-L785 VanDerWaalsContact O-N 3.15Å | ||
| 784 | E | 41.6 | Very low | 57.2 | Low | 154 Ų | 154 | 94.2 Ų | 94.2 | 72% | 0.72 | 45% | 0.445 | S | S | * | . | trans | -57.8 | 121.4 | 164 | -73.5 | -169.7 | 167.6 | 0 | 0 | 106.7 | G782 A786 | G782-E784 PolarHBondContact O-N 3.06Å; E784-A786 PolarHBondContact O-N 3.04Å | ||
| 785 | L | 43.3 | Very low | 56.1 | Low | 101 Ų | 101 | 98 Ų | 98 | 53% | 0.529 | 47% | 0.469 | S | S | . | . | trans | -48.7 | 114.5 | 172.3 | -76.3 | 162.3 | 0 | 0 | 0 | 106.4 | T596 R597 F783 Q787 | T596-L785 WeakPolarHBondContact O-CD2 3.48Å; R597-L785 HydrophobicContact CG-CD2 4.21Å; F783-L785 PolarHBondContact O-N 2.82Å; F783-L785 VanDerWaalsContact O-N 3.15Å; L785-Q787 PolarHBondContact O-N 2.91Å | ||
| 786 | A | 42.7 | Very low | 54.9 | Low | 24 Ų | 24 | 102.4 Ų | 102.4 | 20% | 0.198 | 49% | 0.49 | C | S | . | . | trans | -46.1 | 122.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | E784 T788 | E784-A786 PolarHBondContact O-N 3.04Å; A786-T788 PolarHBondContact O-N 3.17Å | ||
| 787 | Q | 42.8 | Very low | 54 | Low | 186 Ų | 186 | 104 Ų | 104 | 87% | 0.869 | 51% | 0.505 | S | S | * | . | trans | -46.8 | 124.7 | -176.8 | -75.8 | -174.5 | -7.1 | 0 | 0 | 107.9 | L785 D789 | L785-Q787 PolarHBondContact O-N 2.91Å; Q787-D789 PolarHBondContact O-N 3.47Å | ||
| 788 | T | 47.2 | Very low | 53.8 | Low | 86 Ų | 86 | 102.4 Ų | 102.4 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | trans | -59.2 | 107.7 | -177.4 | 45.2 | 0 | 0 | 0 | 0 | 107.5 | A786 H790 | A786-T788 PolarHBondContact O-N 3.17Å; T788-H790 PolarHBondContact O-N 3.09Å; T788-H790 PolarHBondContact O-ND1 2.83Å; T788-H790 PolarHBondContact OG1-CE1 3.24Å | ||
| 789 | D | 49.3 | Very low | 54.4 | Low | 75 Ų | 75 | 104.8 Ų | 104.8 | 40% | 0.401 | 52% | 0.524 | S | S | . | . | trans | -66.5 | 100.9 | 178.1 | -161.4 | -17.5 | 0 | 0 | 0 | 106.7 | R594 Q787 T791 | R594-D789 IonicContact NH2-OD2 3.8Å; R594-D789 PolarHBondContact NH2-OD2 3.41Å; Q787-D789 PolarHBondContact O-N 3.47Å; D789-T791 PolarHBondContact O-N 2.89Å; D789-T791 VanDerWaalsContact O-N 3.1Å; D789-T791 WeakPolarHBondContact OD1-CB 3.37Å; D789-T791 WeakPolarHBondContact OD1-CG2 3.19Å; D789-T791 PolarHBondContact OD1-OG1 3.14Å | ||
| 790 | H | 55 | Low | 55.2 | Low | 89 Ų | 89 | 105 Ų | 105 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -1.5 | -175 | -67.9 | -43.4 | 0 | 0 | 0 | 112.4 | T788 W792 K793 W794 | T788-H790 PolarHBondContact O-N 3.09Å; T788-H790 PolarHBondContact O-ND1 2.83Å; T788-H790 PolarHBondContact OG1-CE1 3.24Å; H790-W792 VanDerWaalsContact C-N 3.27Å; H790-W792 PolarHBondContact O-N 2.94Å; H790-K793 WeakPolarHBondContact O-CA 3.47Å; H790-K793 WeakPolarHBondContact O-CB 3.49Å; H790-K793 PolarHBondContact O-N 3.1Å; H790-W794 PolarHBondContact O-N 2.72Å; H790-W794 VanDerWaalsContact O-N 3.14Å |
| 791 | T | 56 | Low | 56.5 | Low | 79 Ų | 79 | 104.3 Ų | 104.3 | 49% | 0.485 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -47.8 | -45.4 | 177 | 38.6 | 0 | 0 | 0 | 0 | 112.6 | D789 K793 W794 T795 | D789-T791 PolarHBondContact O-N 2.89Å; D789-T791 VanDerWaalsContact O-N 3.1Å; D789-T791 WeakPolarHBondContact OD1-CB 3.37Å; D789-T791 WeakPolarHBondContact OD1-CG2 3.19Å; D789-T791 PolarHBondContact OD1-OG1 3.14Å; T791-K793 VanDerWaalsContact C-N 3.33Å; T791-K793 PolarHBondContact O-N 2.93Å; T791-W794 CarbonylContact O-C 3.6Å; T791-W794 WeakPolarHBondContact O-CB 3.39Å; T791-W794 PolarHBondContact O-N 2.86Å; T791-W794 VanDerWaalsContact O-N 3.13Å; T791-T795 PolarHBondContact O-N 3.13Å; T791-T795 PolarHBondContact O-OG1 3.36Å |
| 792 | W | 54.2 | Low | 57.9 | Low | 155 Ų | 155 | 95.8 Ų | 95.8 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.6 | -30.9 | 178.3 | 79.1 | -92.5 | 0 | 0 | 0 | 113.6 | H790 W794 T795 L796 | H790-W792 VanDerWaalsContact C-N 3.27Å; H790-W792 PolarHBondContact O-N 2.94Å; W792-W794 VanDerWaalsContact C-N 3.31Å; W792-T795 PolarHBondContact O-N 2.88Å; W792-L796 HydrophobicContact CE3-CB 4.43Å; W792-L796 HydrophobicContact CZ3-CD2 4.17Å; W792-L796 WeakPolarHBondContact O-CB 3.47Å; W792-L796 PolarHBondContact O-N 3.45Å |
| 793 | K | 60.7 | Low | 59.1 | Low | 112 Ų | 112 | 94.9 Ų | 94.9 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 174 | -67.6 | -174.1 | 177.5 | -179 | 0 | 110.3 | H790 T791 A797 | H790-K793 WeakPolarHBondContact O-CA 3.47Å; H790-K793 WeakPolarHBondContact O-CB 3.49Å; H790-K793 PolarHBondContact O-N 3.1Å; T791-K793 VanDerWaalsContact C-N 3.33Å; T791-K793 PolarHBondContact O-N 2.93Å; K793-A797 VanDerWaalsContact O-CB 3.22Å; K793-A797 WeakPolarHBondContact O-CB 3.36Å; K793-A797 PolarHBondContact O-N 3.29Å |
| 794 | W | 63.9 | Low | 60.4 | Low | 191 Ų | 191 | 98.5 Ų | 98.5 | 72% | 0.723 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.8 | -40.4 | 172.6 | -66.9 | 108.9 | 0 | 0 | 0 | 111.9 | H790 T791 W792 A797 A798 | H790-W794 PolarHBondContact O-N 2.72Å; H790-W794 VanDerWaalsContact O-N 3.14Å; T791-W794 CarbonylContact O-C 3.6Å; T791-W794 WeakPolarHBondContact O-CB 3.39Å; T791-W794 PolarHBondContact O-N 2.86Å; T791-W794 VanDerWaalsContact O-N 3.13Å; W792-W794 VanDerWaalsContact C-N 3.31Å; W794-A797 PolarHBondContact O-N 2.83Å; W794-A798 VanDerWaalsContact O-CB 3.22Å; W794-A798 WeakPolarHBondContact O-CB 3.31Å; W794-A798 PolarHBondContact O-N 2.86Å |
| 795 | T | 67.6 | Low | 61.7 | Low | 86 Ų | 86 | 93.1 Ų | 93.1 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 174.8 | -42 | 0 | 0 | 0 | 0 | 111.4 | T791 W792 A798 T799 | T791-T795 PolarHBondContact O-N 3.13Å; T791-T795 PolarHBondContact O-OG1 3.36Å; W792-T795 PolarHBondContact O-N 2.88Å; T795-A798 PolarHBondContact O-N 2.8Å; T795-T799 WeakPolarHBondContact O-CB 3.22Å; T795-T799 PolarHBondContact O-N 3.31Å; T795-T799 PolarHBondContact O-OG1 3.23Å |
| 796 | L | 65.3 | Low | 62.8 | Low | 101 Ų | 101 | 94.8 Ų | 94.8 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 175.8 | -170.3 | 83.9 | 0 | 0 | 0 | 110.7 | W792 A798 T799 V800 | W792-L796 HydrophobicContact CE3-CB 4.43Å; W792-L796 HydrophobicContact CZ3-CD2 4.17Å; W792-L796 WeakPolarHBondContact O-CB 3.47Å; W792-L796 PolarHBondContact O-N 3.45Å; L796-A798 VanDerWaalsContact C-N 3.32Å; L796-A798 PolarHBondContact O-N 2.64Å; L796-T799 PolarHBondContact O-N 3.16Å; L796-T799 VanDerWaalsContact O-N 3.16Å; L796-V800 WeakPolarHBondContact O-CB 3.23Å; L796-V800 VanDerWaalsContact O-CG2 3.31Å; L796-V800 WeakPolarHBondContact O-CG2 3.19Å; L796-V800 PolarHBondContact O-N 3.49Å |
| 797 | A | 69.2 | Low | 63.7 | Low | 42 Ų | 42 | 100.7 Ų | 100.7 | 35% | 0.347 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K793 W794 T799 V800 L801 | K793-A797 VanDerWaalsContact O-CB 3.22Å; K793-A797 WeakPolarHBondContact O-CB 3.36Å; K793-A797 PolarHBondContact O-N 3.29Å; W794-A797 PolarHBondContact O-N 2.83Å; A797-T799 VanDerWaalsContact C-N 3.34Å; A797-T799 PolarHBondContact O-N 3.48Å; A797-V800 PolarHBondContact O-N 3.38Å; A797-L801 VanDerWaalsContact O-CB 3.26Å; A797-L801 WeakPolarHBondContact O-CB 3.26Å; A797-L801 WeakPolarHBondContact O-CG 3.2Å; A797-L801 PolarHBondContact O-N 2.83Å |
| 798 | A | 70.2 | Confident | 64.6 | Low | 55 Ų | 55 | 94.8 Ų | 94.8 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W794 T795 L796 L801 A802 | W794-A798 VanDerWaalsContact O-CB 3.22Å; W794-A798 WeakPolarHBondContact O-CB 3.31Å; W794-A798 PolarHBondContact O-N 2.86Å; T795-A798 PolarHBondContact O-N 2.8Å; L796-A798 VanDerWaalsContact C-N 3.32Å; L796-A798 PolarHBondContact O-N 2.64Å; A798-L801 PolarHBondContact O-N 2.79Å; A798-A802 WeakPolarHBondContact O-CB 3.48Å; A798-A802 PolarHBondContact O-N 3.43Å |
| 799 | T | 72.3 | Confident | 65.4 | Low | 90 Ų | 90 | 97.5 Ų | 97.5 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.2 | -42.1 | 178.3 | -44.2 | 0 | 0 | 0 | 0 | 111 | T795 L796 A797 A802 G803 | T795-T799 WeakPolarHBondContact O-CB 3.22Å; T795-T799 PolarHBondContact O-N 3.31Å; T795-T799 PolarHBondContact O-OG1 3.23Å; L796-T799 PolarHBondContact O-N 3.16Å; L796-T799 VanDerWaalsContact O-N 3.16Å; A797-T799 VanDerWaalsContact C-N 3.34Å; A797-T799 PolarHBondContact O-N 3.48Å; T799-A802 PolarHBondContact O-N 3.42Å; T799-G803 PolarHBondContact O-N 2.9Å |
| 800 | V | 72.6 | Confident | 66 | Low | 75 Ų | 75 | 99.2 Ų | 99.2 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 174 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L796 A797 A802 G803 F804 | L796-V800 WeakPolarHBondContact O-CB 3.23Å; L796-V800 VanDerWaalsContact O-CG2 3.31Å; L796-V800 WeakPolarHBondContact O-CG2 3.19Å; L796-V800 PolarHBondContact O-N 3.49Å; A797-V800 PolarHBondContact O-N 3.38Å; V800-A802 PolarHBondContact O-N 2.88Å; V800-G803 PolarHBondContact O-N 2.81Å; V800-F804 HydrophobicContact CG1-CD2 3.76Å; V800-F804 HydrophobicContact CG1-CE2 3.62Å; V800-F804 VanDerWaalsContact O-CD2 3.23Å; V800-F804 WeakPolarHBondContact O-CD2 3.22Å; V800-F804 PolarHBondContact O-N 3.49Å |
| 801 | L | 76.8 | Confident | 66.3 | Low | 123 Ų | 123 | 101.2 Ų | 101.2 | 64% | 0.644 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -39 | 175.8 | -75.1 | 168.3 | 0 | 0 | 0 | 112.4 | A797 A798 F804 G805 | A797-L801 VanDerWaalsContact O-CB 3.26Å; A797-L801 WeakPolarHBondContact O-CB 3.26Å; A797-L801 WeakPolarHBondContact O-CG 3.2Å; A797-L801 PolarHBondContact O-N 2.83Å; A798-L801 PolarHBondContact O-N 2.79Å; L801-F804 PolarHBondContact O-N 3.3Å; L801-G805 PolarHBondContact O-N 3.46Å |
| 802 | A | 72.3 | Confident | 66.5 | Low | 64 Ų | 64 | 99.6 Ų | 99.6 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A798 T799 V800 G805 F806 | A798-A802 WeakPolarHBondContact O-CB 3.48Å; A798-A802 PolarHBondContact O-N 3.43Å; T799-A802 PolarHBondContact O-N 3.42Å; V800-A802 PolarHBondContact O-N 2.88Å; A802-G805 PolarHBondContact O-N 3.28Å; A802-F806 WeakPolarHBondContact O-CB 3.32Å; A802-F806 PolarHBondContact O-N 2.84Å |
| 803 | G | 72.7 | Confident | 66.6 | Low | 36 Ų | 36 | 99.4 Ų | 99.4 | 37% | 0.371 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T799 V800 F806 F807 | T799-G803 PolarHBondContact O-N 2.9Å; V800-G803 PolarHBondContact O-N 2.81Å; G803-F806 PolarHBondContact O-N 3.35Å; G803-F807 PolarHBondContact O-N 3.47Å |
| 804 | F | 72.6 | Confident | 66.5 | Low | 144 Ų | 144 | 99.1 Ų | 99.1 | 63% | 0.632 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 172.5 | -84.1 | -68.5 | 0 | 0 | 0 | 112.3 | V800 L801 F806 F807 A808 | V800-F804 HydrophobicContact CG1-CD2 3.76Å; V800-F804 HydrophobicContact CG1-CE2 3.62Å; V800-F804 VanDerWaalsContact O-CD2 3.23Å; V800-F804 WeakPolarHBondContact O-CD2 3.22Å; V800-F804 PolarHBondContact O-N 3.49Å; L801-F804 PolarHBondContact O-N 3.3Å; F804-F806 VanDerWaalsContact C-N 3.31Å; F804-F806 PolarHBondContact O-N 2.96Å; F804-F807 PolarHBondContact O-N 2.85Å; F804-A808 WeakPolarHBondContact O-CB 3.34Å; F804-A808 PolarHBondContact O-N 2.89Å |
| 805 | G | 69.4 | Low | 65.9 | Low | 41 Ų | 41 | 98.2 Ų | 98.2 | 42% | 0.423 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L801 A802 A808 F809 | L801-G805 PolarHBondContact O-N 3.46Å; A802-G805 PolarHBondContact O-N 3.28Å; G805-A808 PolarHBondContact O-N 2.8Å; G805-F809 WeakPolarHBondContact O-CB 3.47Å; G805-F809 PolarHBondContact O-N 3.32Å |
| 806 | F | 65.4 | Low | 64.8 | Low | 137 Ų | 137 | 103.7 Ų | 103.7 | 60% | 0.601 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -44 | 175.5 | -163.2 | -90.8 | 0 | 0 | 0 | 111.8 | A802 G803 F804 F809 Q810 | A802-F806 WeakPolarHBondContact O-CB 3.32Å; A802-F806 PolarHBondContact O-N 2.84Å; G803-F806 PolarHBondContact O-N 3.35Å; F804-F806 VanDerWaalsContact C-N 3.31Å; F804-F806 PolarHBondContact O-N 2.96Å; F806-F809 PolarHBondContact O-N 3.26Å; F806-Q810 WeakPolarHBondContact O-CB 3.41Å; F806-Q810 PolarHBondContact O-N 2.8Å |
| 807 | F | 61.7 | Low | 64.8 | Low | 147 Ų | 147 | 103.8 Ų | 103.8 | 65% | 0.645 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.4 | -44.1 | 174 | -109.7 | -84.4 | 0 | 0 | 0 | 112.4 | G803 F804 F809 Q810 M811 | G803-F807 PolarHBondContact O-N 3.47Å; F804-F807 PolarHBondContact O-N 2.85Å; F807-F809 VanDerWaalsContact C-N 3.35Å; F807-Q810 PolarHBondContact O-N 3.39Å; F807-M811 PolarHBondContact O-N 2.92Å |
| 808 | A | 62.3 | Low | 64.5 | Low | 62 Ų | 62 | 107.1 Ų | 107.1 | 51% | 0.512 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.6 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F804 G805 Q810 M811 A812 | F804-A808 WeakPolarHBondContact O-CB 3.34Å; F804-A808 PolarHBondContact O-N 2.89Å; G805-A808 PolarHBondContact O-N 2.8Å; A808-Q810 VanDerWaalsContact C-N 3.33Å; A808-Q810 PolarHBondContact O-N 3.48Å; A808-M811 PolarHBondContact O-N 3.37Å; A808-A812 WeakPolarHBondContact O-CB 3.49Å; A808-A812 PolarHBondContact O-N 3.49Å |
| 809 | F | 64.7 | Low | 64.2 | Low | 144 Ų | 144 | 109.9 Ų | 109.9 | 63% | 0.632 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.5 | -38.3 | 175.4 | -166.1 | -95.3 | 0 | 0 | 0 | 111.9 | G805 F806 F807 A812 K813 | G805-F809 WeakPolarHBondContact O-CB 3.47Å; G805-F809 PolarHBondContact O-N 3.32Å; F806-F809 PolarHBondContact O-N 3.26Å; F807-F809 VanDerWaalsContact C-N 3.35Å; F809-A812 PolarHBondContact O-N 3Å; F809-K813 PolarHBondContact O-N 3.32Å; F809-K813 VanDerWaalsContact O-N 3.08Å |
| 810 | Q | 60.6 | Low | 63.7 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.9 | -36.7 | 178.2 | -158.2 | 157 | 12.5 | 0 | 0 | 112.2 | F806 F807 A808 K813 | F806-Q810 WeakPolarHBondContact O-CB 3.41Å; F806-Q810 PolarHBondContact O-N 2.8Å; F807-Q810 PolarHBondContact O-N 3.39Å; A808-Q810 VanDerWaalsContact C-N 3.33Å; A808-Q810 PolarHBondContact O-N 3.48Å; Q810-K813 PolarHBondContact O-N 3.08Å |
| 811 | M | 62.6 | Low | 63.2 | Low | 130 Ų | 130 | 113.4 Ų | 113.4 | 64% | 0.64 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.5 | -37.2 | 171.4 | -74.3 | -151.1 | 126.5 | 0 | 0 | 113.3 | F807 A808 K813 T814 | F807-M811 PolarHBondContact O-N 2.92Å; A808-M811 PolarHBondContact O-N 3.37Å; M811-K813 VanDerWaalsContact C-N 3.26Å; M811-K813 PolarHBondContact O-N 2.95Å; M811-T814 PolarHBondContact O-N 3.28Å; M811-T814 PolarHBondContact O-OG1 3.35Å |
| 812 | A | 60.3 | Low | 62.3 | Low | 45 Ų | 45 | 112.7 Ų | 112.7 | 37% | 0.372 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.7 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A808 F809 T814 H815 L816 | A808-A812 WeakPolarHBondContact O-CB 3.49Å; A808-A812 PolarHBondContact O-N 3.49Å; F809-A812 PolarHBondContact O-N 3Å; A812-T814 VanDerWaalsContact C-N 3.27Å; A812-T814 PolarHBondContact O-N 3.12Å; A812-H815 PolarHBondContact O-N 3.13Å; A812-H815 VanDerWaalsContact O-N 3.12Å; A812-L816 PolarHBondContact O-N 3.41Å; A812-L816 VanDerWaalsContact O-N 3.13Å |
| 813 | K | 54.6 | Low | 61.6 | Low | 152 Ų | 152 | 116.2 Ų | 116.2 | 66% | 0.661 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -16.8 | 178.9 | -138.9 | -177 | -173.4 | -175.9 | 0 | 114.4 | F809 Q810 M811 | F809-K813 PolarHBondContact O-N 3.32Å; F809-K813 VanDerWaalsContact O-N 3.08Å; Q810-K813 PolarHBondContact O-N 3.08Å; M811-K813 VanDerWaalsContact C-N 3.26Å; M811-K813 PolarHBondContact O-N 2.95Å |
| 814 | T | 58.4 | Low | 60.7 | Low | 106 Ų | 106 | 122.4 Ų | 122.4 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -9.8 | 171.5 | 45.4 | 0 | 0 | 0 | 0 | 113.1 | M811 A812 | M811-T814 PolarHBondContact O-N 3.28Å; M811-T814 PolarHBondContact O-OG1 3.35Å; A812-T814 VanDerWaalsContact C-N 3.27Å; A812-T814 PolarHBondContact O-N 3.12Å |
| 815 | H | 53.4 | Low | 59.7 | Low | 171 Ų | 171 | 120.6 Ų | 120.6 | 79% | 0.792 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -0.4 | -179.9 | -76.5 | -70.8 | 0 | 0 | 0 | 114.2 | A812 | A812-H815 PolarHBondContact O-N 3.13Å; A812-H815 VanDerWaalsContact O-N 3.12Å |
| 816 | L | 43.2 | Very low | 58.8 | Low | 201 Ų | 201 | 127.8 Ų | 127.8 | 100% | 1.052 | 64% | 0.643 | S | S | * | * | trans | -107.5 | 0 | 166.8 | -81.7 | 158.2 | 0 | 0 | 0 | 108.4 | A812 | A812-L816 PolarHBondContact O-N 3.41Å; A812-L816 VanDerWaalsContact O-N 3.13Å |
Retrieved 816 of 816 residues in 1430.2 ms
(Link to these results)