| 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 | 39.7 | Very low | 73.6 | Confident | 245 Ų | 245 | 115.6 Ų | 115.6 | 100% | 1.207 | 59% | 0.586 | S | S | * | * | 0 | 103.3 | 0 | -81.6 | 171.3 | 163.2 | 0 | 0 | 106.3 | T3 | M1-T3 PolarHBondContact O-N 3.09Š| |||
| 2 | G | 49.9 | Very low | 75.6 | Confident | 69 Ų | 69 | 106.6 Ų | 106.6 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | trans | -67.2 | 129.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | T | 54.9 | Low | 77.3 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | trans | -69.1 | 151.2 | 168.7 | 48.9 | 0 | 0 | 0 | 0 | 107.9 | M1 D5 D6 | M1-T3 PolarHBondContact O-N 3.09Å; T3-D5 PolarHBondContact O-N 3.08Å; T3-D6 PolarHBondContact O-N 3.02Å | ||
| 4 | R | 60.5 | Low | 78.7 | Confident | 227 Ų | 227 | 94.1 Ų | 94.1 | 86% | 0.857 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -53.7 | -20.9 | 177.1 | -78.2 | 179.2 | 169.5 | 179 | -4 | 113.4 | D6 E7 | R4-D6 PolarHBondContact O-N 3.27Å; R4-E7 PolarHBondContact O-N 3.09Å |
| 5 | D | 62 | Low | 79.9 | Confident | 123 Ų | 123 | 87.9 Ų | 87.9 | 66% | 0.658 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -67.7 | -14.2 | 175.8 | -65.2 | -25.6 | 0 | 0 | 0 | 114.2 | T3 | T3-D5 PolarHBondContact O-N 3.08Š|
| 6 | D | 72 | Confident | 81 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -89.5 | -16.5 | 176.5 | -73.8 | -33.4 | 0 | 0 | 0 | 113.9 | T3 R4 Y8 K61 | T3-D6 PolarHBondContact O-N 3.02Å; R4-D6 PolarHBondContact O-N 3.27Å; D6-Y8 WeakPolarHBondContact O-CD1 3.15Å; D6-Y8 PolarHBondContact O-N 3.31Å; D6-K61 IonicContact OD1-NZ 3.02Å; D6-K61 PolarHBondContact OD1-NZ 3Å |
| 7 | E | 88.2 | Confident | 81.9 | Confident | 153 Ų | 153 | 77.5 Ų | 77.5 | 72% | 0.715 | 39% | 0.391 | S | S | * | . | trans | -78.8 | 119.9 | 174.4 | -72.1 | -178.6 | -178.1 | 0 | 0 | 110 | R4 | R4-E7 PolarHBondContact O-N 3.09Š| ||
| 8 | Y | 93.9 | Very high | 82.7 | Confident | 105 Ų | 105 | 73.3 Ų | 73.3 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | trans | -138.6 | 148.9 | 175.6 | 59.7 | -96.2 | 0 | 0 | 0 | 110.4 | D6 Y10 L11 K61 | D6-Y8 WeakPolarHBondContact O-CD1 3.15Å; D6-Y8 PolarHBondContact O-N 3.31Å; Y8-Y10 VanDerWaalsContact CD2-C 3.45Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.4Å; Y8-L11 HydrophobicContact CD2-CB 4.09Å; Y8-L11 HydrophobicContact CE2-CB 3.52Å; Y8-L11 HydrophobicContact CE2-CD1 4.5Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; Y8-K61 HydrophobicContact CD1-CB 3.95Å; Y8-K61 HydrophobicContact CD1-CD 3.41Å; Y8-K61 VanDerWaalsContact CD1-CD 3.41Å; Y8-K61 HydrophobicContact CD1-CG 4.32Å; Y8-K61 HydrophobicContact CD2-CB 4.43Å; Y8-K61 HydrophobicContact CE1-CD 3.82Å; Y8-K61 HydrophobicContact CG-CB 3.79Å; Y8-K61 HydrophobicContact CG-CD 4.15Å | ||
| 9 | D | 95.8 | Very high | 83.4 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -81 | -35.6 | 172.6 | -64.4 | -93.5 | 0 | 0 | 0 | 111 | K58 T59 | D9-K58 HydrophobicContact CB-CB 4.19Å; D9-K58 HydrophobicContact CB-CD 3.91Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.3Å; D9-K58 IonicContact OD1-NZ 3.84Å; D9-K58 PolarHBondContact OD1-NZ 2.86Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; D9-T59 PolarHBondContact N-O 3.16Å; D9-T59 PolarHBondContact OD2-N 2.95Å |
| 10 | Y | 96.7 | Very high | 83.9 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 13% | 0.125 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 139.6 | -177.2 | -63.4 | -88.2 | 0 | 0 | 0 | 111.8 | Y8 F12 K58 T59 K61 Y173 V176 Q180 | Y8-Y10 VanDerWaalsContact CD2-C 3.45Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.4Å; Y10-F12 AromaticContact CD1-CE1 3.9Å; Y10-F12 HydrophobicContact CD1-CE1 3.9Å; Y10-F12 AromaticContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CG-CE1 4.13Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; Y10-K58 HydrophobicContact CD2-CB 4.25Å; Y10-K58 HydrophobicContact CE2-CB 4.16Å; Y10-K58 HydrophobicContact CE2-CD 4.33Å; Y10-K58 HydrophobicContact CE2-CG 4.09Å; Y10-T59 PolarHBondContact N-O 2.95Å; Y10-K61 PolarHBondContact O-N 3.29Å; Y10-Y173 AromaticContact CD2-CD2 3.98Å; Y10-Y173 HydrophobicContact CD2-CD2 3.98Å; Y10-Y173 AromaticContact CD2-CE2 3.96Å; Y10-Y173 HydrophobicContact CD2-CE2 3.96Å; Y10-Y173 AromaticContact CE2-CD2 3.85Å; Y10-Y173 HydrophobicContact CE2-CD2 3.85Å; Y10-Y173 AromaticContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CE2-CE2 3.41Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CG-CD2 4.44Å; Y10-Y173 AromaticContact CZ-CE2 3.76Å; Y10-V176 HydrophobicContact CD1-CG1 4.11Å; Y10-V176 HydrophobicContact CE1-CG1 3.93Å; Y10-Q180 PolarHBondContact OH-OE1 2.77Å |
| 11 | L | 96.5 | Very high | 84.3 | Confident | 70 Ų | 70 | 68 Ų | 68 | 37% | 0.366 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 113.9 | 171.1 | -174.8 | 69 | 0 | 0 | 0 | 108.8 | Y8 K61 Q63 | Y8-L11 HydrophobicContact CD2-CB 4.09Å; Y8-L11 HydrophobicContact CE2-CB 3.52Å; Y8-L11 HydrophobicContact CE2-CD1 4.5Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; L11-K61 WeakPolarHBondContact CA-O 3.46Å; L11-K61 HydrophobicContact CD1-CB 3.92Å; L11-K61 HydrophobicContact CD1-CD 4.27Å; L11-K61 HydrophobicContact CD1-CG 3.95Å; L11-Q63 HydrophobicContact CD1-CG 3.8Å; L11-Q63 HydrophobicContact CG-CG 4.46Å |
| 12 | F | 97.5 | Very high | 87 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.2 | -178.9 | -65.6 | -20.9 | 0 | 0 | 0 | 111.4 | Y10 I60 K61 A62 Q63 V85 L169 I172 V176 | Y10-F12 AromaticContact CD1-CE1 3.9Å; Y10-F12 HydrophobicContact CD1-CE1 3.9Å; Y10-F12 AromaticContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CG-CE1 4.13Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; F12-I60 HydrophobicContact CB-CG2 4.44Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.26Å; F12-I60 HydrophobicContact CE2-CG2 3.73Å; F12-I60 HydrophobicContact CG-CG2 4.03Å; F12-K61 PolarHBondContact N-O 2.91Å; F12-A62 CarbonylContact O-C 3.25Å; F12-A62 WeakPolarHBondContact O-CA 3.22Å; F12-Q63 PolarHBondContact O-N 3.37Å; F12-V85 HydrophobicContact CB-CG2 3.81Å; F12-V85 HydrophobicContact CD1-CG2 4.16Å; F12-V85 HydrophobicContact CG-CG2 4.13Å; F12-L169 HydrophobicContact CB-CD2 4.21Å; F12-L169 HydrophobicContact CD2-CD2 4.11Å; F12-I172 HydrophobicContact CD1-CG2 4.02Å; F12-I172 HydrophobicContact CD2-CB 4.14Å; F12-I172 HydrophobicContact CD2-CG2 3.66Å; F12-I172 HydrophobicContact CE1-CG2 4.02Å; F12-I172 HydrophobicContact CE2-CB 4.1Å; F12-I172 HydrophobicContact CE2-CG2 3.64Å; F12-I172 HydrophobicContact CG-CG2 3.88Å; F12-I172 HydrophobicContact CZ-CG2 3.85Å; F12-V176 HydrophobicContact CE1-CB 4.46Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.18Å; F12-V176 HydrophobicContact CZ-CB 4.41Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å |
| 13 | K | 96.9 | Very high | 89.3 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.7 | 171.8 | 179.7 | 175.1 | 173.1 | -170.5 | 0 | 110.1 | Q63 Y80 R82 A84 V85 G86 | K13-Q63 WeakPolarHBondContact CA-O 3.1Å; K13-Y80 WeakPolarHBondContact CE-O 3.49Å; K13-Y80 PolarHBondContact NZ-O 3.42Å; K13-R82 PolarHBondContact NZ-O 2.96Å; K13-A84 HydrophobicContact CG-CB 4.36Å; K13-V85 WeakPolarHBondContact O-CG2 3.35Å; K13-V85 PolarHBondContact O-N 2.95Å; K13-G86 PolarHBondContact O-N 3.07Å |
| 14 | V | 97.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.1 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | Q63 I64 W65 G86 L169 I172 | V14-Q63 PolarHBondContact N-O 2.93Å; V14-I64 HydrophobicContact CB-CG1 4.49Å; V14-I64 WeakPolarHBondContact O-CA 3.28Å; V14-W65 PolarHBondContact O-N 2.72Å; V14-G86 VanDerWaalsContact CA-O 3.29Å; V14-G86 WeakPolarHBondContact CA-O 3.31Å; V14-L169 HydrophobicContact CG2-CD2 3.9Å; V14-I172 HydrophobicContact CG2-CD1 4.11Å |
| 15 | V | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141.2 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 111 | I17 W65 Y81 A84 G86 A87 L88 L109 | V15-I17 HydrophobicContact CB-CG2 4.42Å; V15-I17 HydrophobicContact CG2-CG2 4.14Å; V15-W65 HydrophobicContact CG1-CB 4.23Å; V15-Y81 HydrophobicContact CG2-CD1 4.31Å; V15-A84 HydrophobicContact CG1-CB 3.89Å; V15-A84 HydrophobicContact CG2-CB 4.19Å; V15-G86 PolarHBondContact N-O 3.2Å; V15-A87 HydrophobicContact CG2-CB 3.73Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.36Å; V15-L88 PolarHBondContact O-N 3.31Å; V15-L109 HydrophobicContact CG2-CD1 4.23Å |
| 16 | L | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.3 | 169.3 | -49.2 | -176.8 | 0 | 0 | 0 | 108.3 | K24 L28 I64 W65 D66 T67 L88 F165 | L16-K24 HydrophobicContact CB-CB 4.15Å; L16-K24 HydrophobicContact CB-CD 4.2Å; L16-K24 HydrophobicContact CB-CG 4.46Å; L16-K24 HydrophobicContact CD1-CB 4.4Å; L16-K24 WeakPolarHBondContact CD1-O 3.21Å; L16-L28 HydrophobicContact CD1-CB 3.89Å; L16-I64 HydrophobicContact CD1-CG2 4.1Å; L16-I64 HydrophobicContact CD2-CG2 4Å; L16-I64 HydrophobicContact CG-CG2 3.85Å; L16-W65 PolarHBondContact N-O 2.82Å; L16-D66 HydrophobicContact CD1-CB 4.28Å; L16-T67 PolarHBondContact O-N 2.95Å; L16-T67 PolarHBondContact O-OG1 3.23Å; L16-L88 HydrophobicContact CD2-CB 3.66Å; L16-L88 HydrophobicContact CD2-CD1 3.65Å; L16-L88 HydrophobicContact CD2-CG 3.85Å; L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.04Å |
| 17 | I | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 161.2 | -178.1 | 65.2 | 170.1 | 0 | 0 | 0 | 111.2 | V15 K24 Y81 L88 L89 V90 W105 L109 | V15-I17 HydrophobicContact CB-CG2 4.42Å; V15-I17 HydrophobicContact CG2-CG2 4.14Å; I17-K24 VanDerWaalsContact C-CD 3.49Å; I17-Y81 HydrophobicContact CG2-CD1 4.46Å; I17-Y81 HydrophobicContact CG2-CE1 3.52Å; I17-L88 PolarHBondContact N-O 3.37Å; I17-L89 HydrophobicContact CD1-CB 4.47Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.25Å; I17-L89 HydrophobicContact CG1-CD1 3.77Å; I17-V90 PolarHBondContact O-N 3.14Å; I17-W105 HydrophobicContact CB-CE3 4.31Å; I17-W105 HydrophobicContact CD1-CB 4.4Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.3Å; I17-L109 HydrophobicContact CD1-CD2 3.82Å; I17-L109 HydrophobicContact CD1-CG 4.22Å |
| 18 | G | 96.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 132.2 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K24 G69 W105 | G18-K24 PolarHBondContact O-NZ 3.34Å; G18-G69 VanDerWaalsContact O-CA 3.26Å; G18-G69 WeakPolarHBondContact O-CA 3.24Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.2Å |
| 19 | D | 95.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 19.1 Ų | 19.1 | 11% | 0.107 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -59 | 160.9 | -174.8 | -83 | 2.5 | 0 | 0 | 0 | 113.5 | G21 V22 K24 T98 N101 R104 W105 | D19-G21 PolarHBondContact O-N 3.04Å; D19-V22 HydrophobicContact CB-CG1 3.86Å; D19-V22 VanDerWaalsContact O-CG2 3.28Å; D19-V22 WeakPolarHBondContact O-CG2 3.16Å; D19-K24 PolarHBondContact O-NZ 3.39Å; D19-T98 HydrophobicContact CB-CG2 4.2Å; D19-N101 PolarHBondContact OD2-ND2 2.95Å; D19-R104 IonicContact OD1-NH2 3.43Å; D19-R104 PolarHBondContact OD1-NH2 3.2Å; D19-W105 PolarHBondContact OD1-NE1 3.29Å |
| 20 | S | 93.3 | Very high | 96.6 | Very high | 44 Ų | 44 | 17.7 Ų | 17.7 | 31% | 0.308 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 137.7 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | V22 S42 G69 | S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.4Å; S20-S42 PolarHBondContact OG-OG 3.2Å; S20-G69 PolarHBondContact N-O 3.1Å; S20-G69 VanDerWaalsContact N-O 3.09Å |
| 21 | G | 93.8 | Very high | 96.6 | Very high | 44 Ų | 44 | 16.4 Ų | 16.4 | 45% | 0.454 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 5.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D19 G23 K125 | D19-G21 PolarHBondContact O-N 3.04Å; G21-G23 PolarHBondContact O-N 3.49Å; G21-K125 WeakPolarHBondContact O-CE 3.41Å; G21-K125 PolarHBondContact O-NZ 3.35Å |
| 22 | V | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -71.5 | -15.3 | 172.3 | -56.8 | 0 | 0 | 0 | 0 | 113 | D19 S20 K24 V90 D92 T98 N124 K125 | D19-V22 HydrophobicContact CB-CG1 3.86Å; D19-V22 VanDerWaalsContact O-CG2 3.28Å; D19-V22 WeakPolarHBondContact O-CG2 3.16Å; S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.4Å; V22-K24 HydrophobicContact CG2-CD 4.29Å; V22-K24 HydrophobicContact CG2-CG 3.6Å; V22-V90 HydrophobicContact CB-CG1 4.31Å; V22-V90 HydrophobicContact CG2-CB 3.92Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; V22-D92 HydrophobicContact CB-CB 4.36Å; V22-D92 HydrophobicContact CG1-CB 4.26Å; V22-T98 HydrophobicContact CG1-CG2 3.86Å; V22-N124 PolarHBondContact O-ND2 3.16Å; V22-K125 WeakPolarHBondContact O-CE 3.29Å |
| 23 | G | 97.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 10% | 0.103 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 103.9 | 20.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G21 S25 N26 L27 | G21-G23 PolarHBondContact O-N 3.49Å; G23-S25 PolarHBondContact O-N 3.07Å; G23-N26 PolarHBondContact O-N 3.27Å; G23-N26 VanDerWaalsContact O-N 3.16Å; G23-L27 PolarHBondContact O-N 3.05Å |
| 24 | K | 96.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.7 | -50 | 177.4 | -55.8 | -170.7 | -60.6 | -77 | 0 | 113.3 | L16 I17 G18 D19 V22 N26 L27 L28 D66 T67 V90 | L16-K24 HydrophobicContact CB-CB 4.15Å; L16-K24 HydrophobicContact CB-CD 4.2Å; L16-K24 HydrophobicContact CB-CG 4.46Å; L16-K24 HydrophobicContact CD1-CB 4.4Å; L16-K24 WeakPolarHBondContact CD1-O 3.21Å; I17-K24 VanDerWaalsContact C-CD 3.49Å; G18-K24 PolarHBondContact O-NZ 3.34Å; D19-K24 PolarHBondContact O-NZ 3.39Å; V22-K24 HydrophobicContact CG2-CD 4.29Å; V22-K24 HydrophobicContact CG2-CG 3.6Å; K24-N26 VanDerWaalsContact C-N 3.31Å; K24-N26 PolarHBondContact O-N 3.23Å; K24-L27 WeakPolarHBondContact O-CB 3.42Å; K24-L27 PolarHBondContact O-N 3.14Å; K24-L27 VanDerWaalsContact O-N 3.13Å; K24-L28 PolarHBondContact O-N 2.94Å; K24-D66 WeakPolarHBondContact CB-OD1 3.28Å; K24-T67 WeakPolarHBondContact CE-O 3.27Å; K24-V90 HydrophobicContact CG-CB 4.09Å; K24-V90 HydrophobicContact CG-CG2 4.15Å |
| 25 | S | 96.2 | Very high | 96.4 | Very high | 25 Ų | 25 | 28.3 Ų | 28.3 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 178.2 | -37.1 | 0 | 0 | 0 | 0 | 112.4 | G23 L28 S29 T43 D66 | G23-S25 PolarHBondContact O-N 3.07Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.4Å; S25-S29 PolarHBondContact O-N 3.31Å; S25-S29 PolarHBondContact O-OG 2.87Å; S25-T43 PolarHBondContact OG-OG1 3.42Å; S25-D66 WeakPolarHBondContact CA-OD2 3.48Å; S25-D66 VanDerWaalsContact CB-OD2 3.23Å; S25-D66 WeakPolarHBondContact CB-OD2 3.25Å; S25-D66 PolarHBondContact OG-OD2 3.34Å |
| 26 | N | 97.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.064 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.7 | -34.2 | 175.8 | -86.8 | -39.4 | 0 | 0 | 0 | 112.3 | G23 K24 S29 R30 F36 N37 S40 A155 | G23-N26 PolarHBondContact O-N 3.27Å; G23-N26 VanDerWaalsContact O-N 3.16Å; K24-N26 VanDerWaalsContact C-N 3.31Å; K24-N26 PolarHBondContact O-N 3.23Å; N26-S29 WeakPolarHBondContact CA-OG 3.45Å; N26-S29 PolarHBondContact O-OG 2.86Å; N26-R30 WeakPolarHBondContact O-CB 3.31Å; N26-R30 PolarHBondContact O-N 3.08Å; N26-F36 HydrophobicContact CB-CD2 3.84Å; N26-F36 HydrophobicContact CB-CE2 3.96Å; N26-N37 PolarHBondContact ND2-O 3.36Å; N26-N37 PolarHBondContact OD1-N 3.43Å; N26-N37 PolarHBondContact OD1-O 2.94Å; N26-S40 PolarHBondContact ND2-OG 3.2Å; N26-A155 HydrophobicContact CB-CB 3.8Å |
| 27 | L | 98.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 170.2 | -73 | 170.7 | 0 | 0 | 0 | 110.7 | G23 K24 R30 F31 V90 V122 N124 A155 V161 F165 | G23-L27 PolarHBondContact O-N 3.05Å; K24-L27 WeakPolarHBondContact O-CB 3.42Å; K24-L27 PolarHBondContact O-N 3.14Å; K24-L27 VanDerWaalsContact O-N 3.13Å; L27-R30 PolarHBondContact O-N 3.31Å; L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 2.96Å; L27-V90 HydrophobicContact CD1-CG1 3.85Å; L27-V90 HydrophobicContact CD1-CG2 4.12Å; L27-V122 HydrophobicContact CD1-CG1 4.31Å; L27-N124 HydrophobicContact CD1-CB 4.29Å; L27-A155 HydrophobicContact CD2-CB 3.99Å; L27-A155 HydrophobicContact CG-CB 4.27Å; L27-V161 HydrophobicContact CD2-CG1 4.29Å; L27-V161 HydrophobicContact CD2-CG2 3.82Å; L27-F165 HydrophobicContact CB-CE2 4.49Å |
| 28 | L | 97.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -50.9 | 177.2 | -178 | 59.7 | 0 | 0 | 0 | 111.8 | L16 K24 S25 F31 T32 E47 A49 I64 D66 | L16-L28 HydrophobicContact CD1-CB 3.89Å; K24-L28 PolarHBondContact O-N 2.94Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.4Å; L28-F31 PolarHBondContact O-N 3.06Å; L28-T32 HydrophobicContact CD1-CG2 3.85Å; L28-T32 WeakPolarHBondContact O-CB 3.11Å; L28-T32 WeakPolarHBondContact O-CG2 3.1Å; L28-T32 PolarHBondContact O-N 3.26Å; L28-T32 PolarHBondContact O-OG1 3.05Å; L28-E47 HydrophobicContact CD2-CB 4.49Å; L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.23Å; L28-A49 HydrophobicContact CG-CB 4.24Å; L28-I64 HydrophobicContact CD1-CB 3.65Å; L28-I64 HydrophobicContact CD1-CD1 4.22Å; L28-I64 HydrophobicContact CD1-CG2 3.52Å; L28-D66 HydrophobicContact CD2-CB 3.63Å |
| 29 | S | 96.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 50 Ų | 50 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.8 | -37.8 | -179.7 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | S25 N26 T32 R33 N34 E35 | S25-S29 PolarHBondContact O-N 3.31Å; S25-S29 PolarHBondContact O-OG 2.87Å; N26-S29 WeakPolarHBondContact CA-OG 3.45Å; N26-S29 PolarHBondContact O-OG 2.86Å; S29-T32 PolarHBondContact O-N 3.46Å; S29-R33 CarbonylContact O-C 3.33Å; S29-R33 WeakPolarHBondContact O-CA 3.49Å; S29-R33 PolarHBondContact O-N 2.78Å; S29-N34 PolarHBondContact O-N 3.02Å; S29-N34 VanDerWaalsContact O-N 3.15Å; S29-E35 CarbonylContact C-O 3.59Å; S29-E35 VanDerWaalsContact C-O 3.25Å; S29-E35 WeakPolarHBondContact CB-O 3.43Å; S29-E35 PolarHBondContact O-N 3.28Å; S29-E35 PolarHBondContact OG-O 3.03Å |
| 30 | R | 97.7 | Very high | 94.5 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 17% | 0.166 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 176.8 | 179.7 | 61 | 73.3 | -169 | 7.3 | 110.7 | N26 L27 N34 E35 A155 L156 V161 | N26-R30 WeakPolarHBondContact O-CB 3.31Å; N26-R30 PolarHBondContact O-N 3.08Å; L27-R30 PolarHBondContact O-N 3.31Å; R30-N34 WeakPolarHBondContact CD-OD1 3.34Å; R30-N34 PolarHBondContact NH1-O 2.82Å; R30-N34 PolarHBondContact NH1-OD1 3.17Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.25Å; R30-N34 VanDerWaalsContact O-N 3.12Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.46Å; R30-E35 PolarHBondContact N-O 3.21Å; R30-A155 PolarHBondContact NE-O 3.38Å; R30-A155 PolarHBondContact NH2-O 3.05Å; R30-L156 PolarHBondContact NH2-O 3.42Å; R30-V161 HydrophobicContact CB-CG1 4.22Å; R30-V161 HydrophobicContact CG-CB 4.19Å; R30-V161 HydrophobicContact CG-CG1 3.94Å; R30-V161 HydrophobicContact CG-CG2 4.05Å |
| 31 | F | 98 | Very high | 94.1 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68 | -46.4 | 175.7 | -178.8 | -114.9 | 0 | 0 | 0 | 111.7 | L27 L28 R51 I53 I64 V161 F165 | L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 2.96Å; L28-F31 PolarHBondContact O-N 3.06Å; F31-R51 HydrophobicContact CE1-CB 3.9Å; F31-R51 HydrophobicContact CE1-CG 4.17Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.32Å; F31-R51 WeakPolarHBondContact O-CD 3.34Å; F31-R51 PolarHBondContact O-NH1 2.81Å; F31-I53 HydrophobicContact CZ-CG2 4.17Å; F31-I64 HydrophobicContact CD1-CD1 3.48Å; F31-I64 VanDerWaalsContact CD1-CD1 3.48Å; F31-I64 HydrophobicContact CE1-CD1 3.48Å; F31-I64 VanDerWaalsContact CE1-CD1 3.48Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; F31-F165 HydrophobicContact CB-CD2 3.61Å; F31-F165 HydrophobicContact CB-CE2 3.54Å; F31-F165 HydrophobicContact CB-CG 4.36Å; F31-F165 HydrophobicContact CB-CZ 4.23Å; F31-F165 HydrophobicContact CD1-CB 4.24Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.2Å; F31-F165 AromaticContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CZ 4.37Å; F31-F165 HydrophobicContact CD2-CB 3.69Å; F31-F165 AromaticContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CE2 4.36Å; F31-F165 AromaticContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CE1-CB 3.95Å; F31-F165 HydrophobicContact CE1-CD1 4.02Å; F31-F165 HydrophobicContact CE1-CD2 4.46Å; F31-F165 AromaticContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE2-CB 3.37Å; F31-F165 HydrophobicContact CE2-CD2 4.16Å; F31-F165 AromaticContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CG-CB 4.12Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.39Å; F31-F165 HydrophobicContact CG-CD2 3.39Å; F31-F165 AromaticContact CG-CE2 3.79Å; F31-F165 HydrophobicContact CG-CE2 3.79Å; F31-F165 AromaticContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CZ 4.39Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.45Å; F31-F165 AromaticContact CZ-CG 3.97Å; F31-F165 HydrophobicContact CZ-CG 3.97Å |
| 32 | T | 96.3 | Very high | 93.7 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -84.6 | -30.4 | -169.4 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | L28 S29 A49 R51 | L28-T32 HydrophobicContact CD1-CG2 3.85Å; L28-T32 WeakPolarHBondContact O-CB 3.11Å; L28-T32 WeakPolarHBondContact O-CG2 3.1Å; L28-T32 PolarHBondContact O-N 3.26Å; L28-T32 PolarHBondContact O-OG1 3.05Å; S29-T32 PolarHBondContact O-N 3.46Å; T32-A49 HydrophobicContact CG2-CB 3.78Å; T32-R51 HydrophobicContact CG2-CB 4.32Å |
| 33 | R | 95 | Very high | 92.9 | Very high | 127 Ų | 127 | 60 Ų | 60 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -132.2 | 1 | -172.9 | -61 | -172.6 | -62 | -84.7 | 2.8 | 114 | S29 E35 | S29-R33 CarbonylContact O-C 3.33Å; S29-R33 WeakPolarHBondContact O-CA 3.49Å; S29-R33 PolarHBondContact O-N 2.78Å; R33-E35 HydrophobicContact CB-CB 4.32Å; R33-E35 HydrophobicContact CB-CG 3.89Å; R33-E35 IonicContact CZ-OE2 3.06Å; R33-E35 IonicContact NE-OE1 2.64Å; R33-E35 IonicContact NE-OE2 3.91Å; R33-E35 PolarHBondContact NE-OE2 2.77Å; R33-E35 IonicContact NH2-OE2 2.86Å; R33-E35 PolarHBondContact NH2-OE2 3.45Å; R33-E35 PolarHBondContact O-N 3.31Å |
| 34 | N | 96.2 | Very high | 91.9 | Very high | 112 Ų | 112 | 65.8 Ų | 65.8 | 60% | 0.599 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 54.7 | 37.1 | -170.5 | -164.6 | 23.4 | 0 | 0 | 0 | 113.2 | S29 R30 | S29-N34 PolarHBondContact O-N 3.02Å; S29-N34 VanDerWaalsContact O-N 3.15Å; R30-N34 WeakPolarHBondContact CD-OD1 3.34Å; R30-N34 PolarHBondContact NH1-O 2.82Å; R30-N34 PolarHBondContact NH1-OD1 3.17Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.25Å; R30-N34 VanDerWaalsContact O-N 3.12Å |
| 35 | E | 95.8 | Very high | 90.8 | Very high | 98 Ų | 98 | 66.4 Ų | 66.4 | 46% | 0.458 | 34% | 0.337 | S | S | . | . | trans | -111.4 | 145.3 | -179 | -72.6 | 170.8 | -179.1 | 0 | 0 | 111.4 | S29 R30 R33 | S29-E35 CarbonylContact C-O 3.59Å; S29-E35 VanDerWaalsContact C-O 3.25Å; S29-E35 WeakPolarHBondContact CB-O 3.43Å; S29-E35 PolarHBondContact O-N 3.28Å; S29-E35 PolarHBondContact OG-O 3.03Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.46Å; R30-E35 PolarHBondContact N-O 3.21Å; R33-E35 HydrophobicContact CB-CB 4.32Å; R33-E35 HydrophobicContact CB-CG 3.89Å; R33-E35 IonicContact CZ-OE2 3.06Å; R33-E35 IonicContact NE-OE1 2.64Å; R33-E35 IonicContact NE-OE2 3.91Å; R33-E35 PolarHBondContact NE-OE2 2.77Å; R33-E35 IonicContact NH2-OE2 2.86Å; R33-E35 PolarHBondContact NH2-OE2 3.45Å; R33-E35 PolarHBondContact O-N 3.31Å | ||
| 36 | F | 95.5 | Very high | 90.3 | Very high | 64 Ų | 64 | 66.9 Ų | 66.9 | 28% | 0.281 | 34% | 0.339 | S | S | . | . | trans | -136 | 134.4 | 171.3 | 174.9 | -91.2 | 0 | 0 | 0 | 110 | N26 L38 A155 L156 | N26-F36 HydrophobicContact CB-CD2 3.84Å; N26-F36 HydrophobicContact CB-CE2 3.96Å; F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.01Å; F36-L38 HydrophobicContact CZ-CD1 4.29Å; F36-A155 HydrophobicContact CD2-CB 4.01Å; F36-A155 WeakPolarHBondContact CD2-O 3.23Å; F36-A155 HydrophobicContact CE2-CB 4.15Å; F36-L156 HydrophobicContact CD1-CD1 3.82Å; F36-L156 HydrophobicContact CE1-CB 4.49Å; F36-L156 HydrophobicContact CE1-CD1 3.38Å; F36-L156 HydrophobicContact CE2-CB 4.07Å; F36-L156 HydrophobicContact CE2-CD1 4.45Å; F36-L156 HydrophobicContact CZ-CB 4.03Å; F36-L156 HydrophobicContact CZ-CD1 3.74Å; F36-L156 HydrophobicContact CZ-CG 4.48Å | ||
| 37 | N | 92.6 | Very high | 89.9 | Confident | 88 Ų | 88 | 71 Ų | 71 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | trans | -116.4 | 112.3 | 175.8 | -174.7 | -1.2 | 0 | 0 | 0 | 110.1 | N26 E39 S40 | N26-N37 PolarHBondContact ND2-O 3.36Å; N26-N37 PolarHBondContact OD1-N 3.43Å; N26-N37 PolarHBondContact OD1-O 2.94Å; N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.35Å; N37-E39 WeakPolarHBondContact OD1-CA 3.46Å; N37-E39 PolarHBondContact OD1-N 3.25Å; N37-S40 WeakPolarHBondContact O-CB 3.27Å; N37-S40 PolarHBondContact O-N 3.23Å | ||
| 38 | L | 87.8 | Confident | 89.6 | Confident | 143 Ų | 143 | 75.4 Ų | 75.4 | 75% | 0.749 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -32.4 | 176.4 | -171.9 | 66.3 | 0 | 0 | 0 | 111.9 | F36 S40 | F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.01Å; F36-L38 HydrophobicContact CZ-CD1 4.29Å; L38-S40 PolarHBondContact O-N 2.97Å |
| 39 | E | 84.8 | Confident | 89.4 | Confident | 162 Ų | 162 | 75.9 Ų | 75.9 | 76% | 0.757 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 24.7 | 178.3 | -58.3 | -173.6 | 172.5 | 0 | 0 | 112.2 | N37 K41 | N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.35Å; N37-E39 WeakPolarHBondContact OD1-CA 3.46Å; N37-E39 PolarHBondContact OD1-N 3.25Å; E39-K41 PolarHBondContact O-N 3.23Å |
| 40 | S | 81.8 | Confident | 89.4 | Confident | 54 Ų | 54 | 78 Ų | 78 | 38% | 0.378 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 116.1 | 177.9 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | N26 N37 L38 | N26-S40 PolarHBondContact ND2-OG 3.2Å; N37-S40 WeakPolarHBondContact O-CB 3.27Å; N37-S40 PolarHBondContact O-N 3.23Å; L38-S40 PolarHBondContact O-N 2.97Å |
| 41 | K | 83.9 | Confident | 89.3 | Confident | 191 Ų | 191 | 79.5 Ų | 79.5 | 83% | 0.83 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -77 | 164 | 175.1 | -64 | -177.5 | -178.6 | 176.4 | 0 | 110.2 | E39 T43 | E39-K41 PolarHBondContact O-N 3.23Å; K41-T43 PolarHBondContact O-N 2.81Å |
| 42 | S | 85.2 | Confident | 89.2 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 39% | 0.392 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 124.5 | 170.3 | -70.1 | 0 | 0 | 0 | 0 | 110.6 | S20 I44 | S20-S42 PolarHBondContact OG-OG 3.2Å; S42-I44 PolarHBondContact O-N 2.84Å |
| 43 | T | 81.1 | Confident | 89.2 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 10% | 0.104 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 128.2 | 172.1 | -39.9 | 0 | 0 | 0 | 0 | 110.2 | S25 K41 E47 D66 A68 | S25-T43 PolarHBondContact OG-OG1 3.42Å; K41-T43 PolarHBondContact O-N 2.81Å; T43-E47 HydrophobicContact CG2-CG 4.1Å; T43-D66 PolarHBondContact OG1-OD2 3.46Å; T43-A68 WeakPolarHBondContact O-CB 3.43Å |
| 44 | I | 75.2 | Confident | 89.3 | Confident | 132 Ų | 132 | 80.3 Ų | 80.3 | 68% | 0.677 | 41% | 0.413 | S | S | * | . | trans | -104.6 | 117.2 | 172 | -61.5 | 175.2 | 0 | 0 | 0 | 106.5 | S42 | S42-I44 PolarHBondContact O-N 2.84Š| ||
| 45 | G | 75.2 | Confident | 89.2 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 80.6 | -132.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A68 | G45-A68 VanDerWaalsContact O-CB 3.24Å; G45-A68 WeakPolarHBondContact O-CB 3.31Å; G45-A68 PolarHBondContact O-N 2.83Å |
| 46 | V | 84.9 | Confident | 89.1 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 21% | 0.212 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 131.4 | -173.9 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | W65 D66 Y80 | V46-W65 HydrophobicContact CG1-CB 4.28Å; V46-W65 HydrophobicContact CG1-CE3 3.71Å; V46-D66 CarbonylContact C-O 3.52Å; V46-D66 VanDerWaalsContact CA-O 3.3Å; V46-D66 WeakPolarHBondContact CA-O 3.44Å; V46-D66 WeakPolarHBondContact CG1-O 3.45Å; V46-Y80 HydrophobicContact CB-CE1 4.1Å; V46-Y80 HydrophobicContact CB-CE2 4.22Å; V46-Y80 HydrophobicContact CG1-CD1 4.1Å; V46-Y80 HydrophobicContact CG1-CE1 3.91Å; V46-Y80 HydrophobicContact CG2-CD1 4.39Å; V46-Y80 HydrophobicContact CG2-CD2 3.71Å; V46-Y80 HydrophobicContact CG2-CE1 4.05Å; V46-Y80 HydrophobicContact CG2-CE2 3.33Å; V46-Y80 HydrophobicContact CG2-CG 4.23Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.49Å |
| 47 | E | 89 | Confident | 89 | Confident | 98 Ų | 98 | 76.5 Ų | 76.5 | 46% | 0.458 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 145.6 | 169.4 | -67 | -169.6 | 176.1 | 0 | 0 | 110.3 | L28 T43 W65 D66 | L28-E47 HydrophobicContact CD2-CB 4.49Å; T43-E47 HydrophobicContact CG2-CG 4.1Å; E47-W65 CarbonylContact O-C 3.46Å; E47-W65 WeakPolarHBondContact O-CA 3.24Å; E47-D66 HydrophobicContact CB-CB 4.23Å; E47-D66 PolarHBondContact N-O 3Å; E47-D66 PolarHBondContact O-N 2.81Å |
| 48 | F | 91 | Very high | 89.2 | Confident | 97 Ų | 97 | 75.8 Ų | 75.8 | 43% | 0.425 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133 | -178.1 | 169.8 | -98.9 | 0 | 0 | 0 | 109.7 | T50 Q63 W65 | F48-T50 WeakPolarHBondContact CZ-OG1 3.5Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.82Å; F48-Q63 HydrophobicContact CZ-CB 4.4Å; F48-Q63 HydrophobicContact CZ-CG 3.95Å; F48-W65 HydrophobicContact CB-CE3 4.24Å; F48-W65 HydrophobicContact CB-CZ3 4.3Å; F48-W65 AromaticContact CD2-CD2 3.79Å; F48-W65 HydrophobicContact CD2-CD2 3.79Å; F48-W65 AromaticContact CD2-CE2 3.55Å; F48-W65 HydrophobicContact CD2-CE3 4.07Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.03Å; F48-W65 AromaticContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ3 4.19Å; F48-W65 AromaticContact CD2-NE1 3.92Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 HydrophobicContact CE2-CH2 4.5Å; F48-W65 AromaticContact CE2-CZ2 3.87Å; F48-W65 HydrophobicContact CE2-CZ2 3.87Å; F48-W65 AromaticContact CE2-NE1 3.96Å |
| 49 | A | 95.2 | Very high | 89.6 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 156.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L28 T32 I64 | L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.23Å; L28-A49 HydrophobicContact CG-CB 4.24Å; T32-A49 HydrophobicContact CG2-CB 3.78Å; A49-I64 PolarHBondContact N-O 2.86Å; A49-I64 PolarHBondContact O-N 3.45Å |
| 50 | T | 95.8 | Very high | 90.2 | Very high | 55 Ų | 55 | 62.7 Ų | 62.7 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.2 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | F48 K61 A62 | F48-T50 WeakPolarHBondContact CZ-OG1 3.5Å; T50-K61 HydrophobicContact CG2-CD 4.07Å; T50-K61 HydrophobicContact CG2-CG 3.44Å; T50-K61 VanDerWaalsContact CG2-CG 3.44Å; T50-A62 CarbonylContact C-O 3.55Å; T50-A62 VanDerWaalsContact CA-O 3.23Å; T50-A62 WeakPolarHBondContact CA-O 3.3Å |
| 51 | R | 95.7 | Very high | 90.9 | Very high | 75 Ų | 75 | 61.7 Ų | 61.7 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 134.3 | 169.3 | -174 | 168.3 | 175.8 | -155.6 | -12 | 109.8 | F31 T32 A62 E162 | F31-R51 HydrophobicContact CE1-CB 3.9Å; F31-R51 HydrophobicContact CE1-CG 4.17Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.32Å; F31-R51 WeakPolarHBondContact O-CD 3.34Å; F31-R51 PolarHBondContact O-NH1 2.81Å; T32-R51 HydrophobicContact CG2-CB 4.32Å; R51-A62 PolarHBondContact N-O 2.87Å; R51-A62 WeakPolarHBondContact O-CB 3.47Å; R51-A62 PolarHBondContact O-N 3.17Å; R51-E162 IonicContact CZ-OE1 2.71Å; R51-E162 IonicContact CZ-OE2 2.73Å; R51-E162 IonicContact NH1-OE1 3.55Å; R51-E162 IonicContact NH1-OE2 2.91Å; R51-E162 PolarHBondContact NH1-OE2 2.94Å; R51-E162 IonicContact NH2-OE1 3.04Å; R51-E162 PolarHBondContact NH2-OE1 2.96Å; R51-E162 IonicContact NH2-OE2 3.33Å; R51-E162 PolarHBondContact NH2-OE2 2.92Å |
| 52 | S | 96 | Very high | 91.6 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 137.7 | 173.1 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | I60 | S52-I60 CarbonylContact C-O 3.59Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.5Å |
| 53 | I | 96 | Very high | 92.2 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.046 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 162.4 | 174.8 | 66.6 | 159.5 | 0 | 0 | 0 | 110.2 | F31 V55 I60 Q166 L169 | F31-I53 HydrophobicContact CZ-CG2 4.17Å; I53-V55 HydrophobicContact CD1-CG2 3.68Å; I53-V55 HydrophobicContact CG1-CG2 4.28Å; I53-I60 HydrophobicContact CG1-CB 3.98Å; I53-I60 PolarHBondContact N-O 2.83Å; I53-I60 PolarHBondContact O-N 2.91Å; I53-Q166 VanDerWaalsContact CD1-OE1 3.29Å; I53-L169 HydrophobicContact CD1-CB 3.64Å; I53-L169 HydrophobicContact CD1-CD1 3.44Å; I53-L169 VanDerWaalsContact CD1-CD1 3.44Å; I53-L169 HydrophobicContact CD1-CG 4.17Å; I53-L169 HydrophobicContact CG1-CD1 4.05Å |
| 54 | Q | 96.3 | Very high | 92.9 | Very high | 117 Ų | 117 | 51.5 Ų | 51.5 | 55% | 0.547 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.8 | 175.1 | -67.7 | -63.8 | -33.2 | 0 | 0 | 110 | K58 T59 | Q54-K58 WeakPolarHBondContact CA-O 3.29Å; Q54-K58 PolarHBondContact OE1-O 2.85Å; Q54-T59 PolarHBondContact NE2-OG1 2.83Å |
| 55 | V | 95.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 123.9 | 174.9 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | I53 G57 K58 I60 T170 Y173 | I53-V55 HydrophobicContact CD1-CG2 3.68Å; I53-V55 HydrophobicContact CG1-CG2 4.28Å; V55-G57 PolarHBondContact O-N 3.35Å; V55-G57 VanDerWaalsContact O-N 3.13Å; V55-K58 PolarHBondContact N-O 2.76Å; V55-K58 WeakPolarHBondContact O-CA 3.46Å; V55-K58 VanDerWaalsContact O-CB 3.31Å; V55-K58 WeakPolarHBondContact O-CB 3.35Å; V55-K58 PolarHBondContact O-N 3.03Å; V55-I60 HydrophobicContact CB-CD1 3.62Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.58Å; V55-T170 HydrophobicContact CG1-CG2 3.93Å; V55-Y173 HydrophobicContact CB-CD1 4.48Å; V55-Y173 HydrophobicContact CG1-CD1 3.61Å; V55-Y173 HydrophobicContact CG1-CE1 4.14Å; V55-Y173 HydrophobicContact CG1-CG 4.22Å |
| 56 | D | 92.6 | Very high | 94.7 | Very high | 116 Ų | 116 | 47 Ų | 47 | 62% | 0.62 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 39 | 179.8 | -59.8 | -15 | 0 | 0 | 0 | 114.1 | K58 Y173 | D56-K58 PolarHBondContact O-N 2.86Å; D56-Y173 HydrophobicContact CB-CE1 3.8Å; D56-Y173 WeakPolarHBondContact OD2-CE1 3.39Å |
| 57 | G | 93.9 | Very high | 94.8 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 71% | 0.711 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 10.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V55 | V55-G57 PolarHBondContact O-N 3.35Å; V55-G57 VanDerWaalsContact O-N 3.13Å |
| 58 | K | 95.9 | Very high | 94.6 | Very high | 72 Ų | 72 | 40.7 Ų | 40.7 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138.7 | 176.2 | -62.6 | -62 | -171.4 | 180 | 0 | 111.3 | D9 Y10 Q54 V55 D56 Y173 | D9-K58 HydrophobicContact CB-CB 4.19Å; D9-K58 HydrophobicContact CB-CD 3.91Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.3Å; D9-K58 IonicContact OD1-NZ 3.84Å; D9-K58 PolarHBondContact OD1-NZ 2.86Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; Y10-K58 HydrophobicContact CD2-CB 4.25Å; Y10-K58 HydrophobicContact CE2-CB 4.16Å; Y10-K58 HydrophobicContact CE2-CD 4.33Å; Y10-K58 HydrophobicContact CE2-CG 4.09Å; Q54-K58 WeakPolarHBondContact CA-O 3.29Å; Q54-K58 PolarHBondContact OE1-O 2.85Å; V55-K58 PolarHBondContact N-O 2.76Å; V55-K58 WeakPolarHBondContact O-CA 3.46Å; V55-K58 VanDerWaalsContact O-CB 3.31Å; V55-K58 WeakPolarHBondContact O-CB 3.35Å; V55-K58 PolarHBondContact O-N 3.03Å; D56-K58 PolarHBondContact O-N 2.86Å; K58-Y173 HydrophobicContact CB-CE2 4.22Å; K58-Y173 HydrophobicContact CG-CE2 4.04Å; K58-Y173 WeakPolarHBondContact CG-OH 3.32Å |
| 59 | T | 96.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 36.5 Ų | 36.5 | 18% | 0.184 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 112.4 | 175.2 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | D9 Y10 Q54 | D9-T59 PolarHBondContact N-O 3.16Å; D9-T59 PolarHBondContact OD2-N 2.95Å; Y10-T59 PolarHBondContact N-O 2.95Å; Q54-T59 PolarHBondContact NE2-OG1 2.83Å |
| 60 | I | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.1 | 175.3 | -58.8 | 173.3 | 0 | 0 | 0 | 108.4 | F12 S52 I53 V55 L169 Y173 | F12-I60 HydrophobicContact CB-CG2 4.44Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.26Å; F12-I60 HydrophobicContact CE2-CG2 3.73Å; F12-I60 HydrophobicContact CG-CG2 4.03Å; S52-I60 CarbonylContact C-O 3.59Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.5Å; I53-I60 HydrophobicContact CG1-CB 3.98Å; I53-I60 PolarHBondContact N-O 2.83Å; I53-I60 PolarHBondContact O-N 2.91Å; V55-I60 HydrophobicContact CB-CD1 3.62Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.58Å; I60-L169 HydrophobicContact CG2-CD2 4.42Å; I60-Y173 HydrophobicContact CD1-CD2 4.29Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å |
| 61 | K | 97.4 | Very high | 91.9 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 14% | 0.143 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 107.4 | 169.7 | -167.1 | 163.6 | -171.6 | 161.4 | 0 | 108.6 | D6 Y8 Y10 L11 F12 T50 | D6-K61 IonicContact OD1-NZ 3.02Å; D6-K61 PolarHBondContact OD1-NZ 3Å; Y8-K61 HydrophobicContact CD1-CB 3.95Å; Y8-K61 HydrophobicContact CD1-CD 3.41Å; Y8-K61 VanDerWaalsContact CD1-CD 3.41Å; Y8-K61 HydrophobicContact CD1-CG 4.32Å; Y8-K61 HydrophobicContact CD2-CB 4.43Å; Y8-K61 HydrophobicContact CE1-CD 3.82Å; Y8-K61 HydrophobicContact CG-CB 3.79Å; Y8-K61 HydrophobicContact CG-CD 4.15Å; Y10-K61 PolarHBondContact O-N 3.29Å; L11-K61 WeakPolarHBondContact CA-O 3.46Å; L11-K61 HydrophobicContact CD1-CB 3.92Å; L11-K61 HydrophobicContact CD1-CD 4.27Å; L11-K61 HydrophobicContact CD1-CG 3.95Å; F12-K61 PolarHBondContact N-O 2.91Å; T50-K61 HydrophobicContact CG2-CD 4.07Å; T50-K61 HydrophobicContact CG2-CG 3.44Å; T50-K61 VanDerWaalsContact CG2-CG 3.44Å |
| 62 | A | 97.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F12 T50 R51 I64 L169 | F12-A62 CarbonylContact O-C 3.25Å; F12-A62 WeakPolarHBondContact O-CA 3.22Å; T50-A62 CarbonylContact C-O 3.55Å; T50-A62 VanDerWaalsContact CA-O 3.23Å; T50-A62 WeakPolarHBondContact CA-O 3.3Å; R51-A62 PolarHBondContact N-O 2.87Å; R51-A62 WeakPolarHBondContact O-CB 3.47Å; R51-A62 PolarHBondContact O-N 3.17Å; A62-I64 HydrophobicContact CB-CD1 4.43Å; A62-I64 HydrophobicContact CB-CG1 4.25Å; A62-L169 HydrophobicContact CB-CD1 3.72Å; A62-L169 HydrophobicContact CB-CD2 3.73Å; A62-L169 HydrophobicContact CB-CG 4.41Å |
| 63 | Q | 97.2 | Very high | 90.1 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 107.6 | 168.6 | -76.6 | -172.2 | -13.2 | 0 | 0 | 108.9 | L11 F12 K13 V14 F48 | L11-Q63 HydrophobicContact CD1-CG 3.8Å; L11-Q63 HydrophobicContact CG-CG 4.46Å; F12-Q63 PolarHBondContact O-N 3.37Å; K13-Q63 WeakPolarHBondContact CA-O 3.1Å; V14-Q63 PolarHBondContact N-O 2.93Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.82Å; F48-Q63 HydrophobicContact CZ-CB 4.4Å; F48-Q63 HydrophobicContact CZ-CG 3.95Å |
| 64 | I | 97.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.8 | -174.2 | -51.9 | 163.8 | 0 | 0 | 0 | 109.1 | V14 L16 L28 F31 A49 A62 F165 | V14-I64 HydrophobicContact CB-CG1 4.49Å; V14-I64 WeakPolarHBondContact O-CA 3.28Å; L16-I64 HydrophobicContact CD1-CG2 4.1Å; L16-I64 HydrophobicContact CD2-CG2 4Å; L16-I64 HydrophobicContact CG-CG2 3.85Å; L28-I64 HydrophobicContact CD1-CB 3.65Å; L28-I64 HydrophobicContact CD1-CD1 4.22Å; L28-I64 HydrophobicContact CD1-CG2 3.52Å; F31-I64 HydrophobicContact CD1-CD1 3.48Å; F31-I64 VanDerWaalsContact CD1-CD1 3.48Å; F31-I64 HydrophobicContact CE1-CD1 3.48Å; F31-I64 VanDerWaalsContact CE1-CD1 3.48Å; A49-I64 PolarHBondContact N-O 2.86Å; A49-I64 PolarHBondContact O-N 3.45Å; A62-I64 HydrophobicContact CB-CD1 4.43Å; A62-I64 HydrophobicContact CB-CG1 4.25Å; I64-F165 HydrophobicContact CD1-CD1 3.82Å; I64-F165 HydrophobicContact CD1-CE1 3.63Å; I64-F165 HydrophobicContact CD1-CZ 4.47Å; I64-F165 HydrophobicContact CG1-CE1 4.31Å; I64-F165 HydrophobicContact CG2-CE1 4.05Å |
| 65 | W | 95.2 | Very high | 87.8 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 110.4 | -178.1 | -60.3 | 78.6 | 0 | 0 | 0 | 109.1 | V14 V15 L16 V46 E47 F48 Y80 | V14-W65 PolarHBondContact O-N 2.72Å; V15-W65 HydrophobicContact CG1-CB 4.23Å; L16-W65 PolarHBondContact N-O 2.82Å; V46-W65 HydrophobicContact CG1-CB 4.28Å; V46-W65 HydrophobicContact CG1-CE3 3.71Å; E47-W65 CarbonylContact O-C 3.46Å; E47-W65 WeakPolarHBondContact O-CA 3.24Å; F48-W65 HydrophobicContact CB-CE3 4.24Å; F48-W65 HydrophobicContact CB-CZ3 4.3Å; F48-W65 AromaticContact CD2-CD2 3.79Å; F48-W65 HydrophobicContact CD2-CD2 3.79Å; F48-W65 AromaticContact CD2-CE2 3.55Å; F48-W65 HydrophobicContact CD2-CE3 4.07Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.03Å; F48-W65 AromaticContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ3 4.19Å; F48-W65 AromaticContact CD2-NE1 3.92Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 HydrophobicContact CE2-CH2 4.5Å; F48-W65 AromaticContact CE2-CZ2 3.87Å; F48-W65 HydrophobicContact CE2-CZ2 3.87Å; F48-W65 AromaticContact CE2-NE1 3.96Å; W65-Y80 HydrophobicContact CD2-CD1 4.15Å; W65-Y80 AromaticContact CE3-CD1 3.56Å; W65-Y80 HydrophobicContact CE3-CD1 3.56Å; W65-Y80 AromaticContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CH2-CE1 4.49Å; W65-Y80 AromaticContact CZ3-CD1 3.86Å; W65-Y80 HydrophobicContact CZ3-CD1 3.86Å; W65-Y80 AromaticContact CZ3-CE1 3.55Å; W65-Y80 HydrophobicContact CZ3-CE1 3.55Å |
| 66 | D | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.3 | 171 | 176.1 | 40.5 | 0 | 0 | 0 | 109.9 | L16 K24 S25 L28 T43 V46 E47 | L16-D66 HydrophobicContact CD1-CB 4.28Å; K24-D66 WeakPolarHBondContact CB-OD1 3.28Å; S25-D66 WeakPolarHBondContact CA-OD2 3.48Å; S25-D66 VanDerWaalsContact CB-OD2 3.23Å; S25-D66 WeakPolarHBondContact CB-OD2 3.25Å; S25-D66 PolarHBondContact OG-OD2 3.34Å; L28-D66 HydrophobicContact CD2-CB 3.63Å; T43-D66 PolarHBondContact OG1-OD2 3.46Å; V46-D66 CarbonylContact C-O 3.52Å; V46-D66 VanDerWaalsContact CA-O 3.3Å; V46-D66 WeakPolarHBondContact CA-O 3.44Å; V46-D66 WeakPolarHBondContact CG1-O 3.45Å; E47-D66 HydrophobicContact CB-CB 4.23Å; E47-D66 PolarHBondContact N-O 3Å; E47-D66 PolarHBondContact O-N 2.81Å |
| 67 | T | 87.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 147.3 | -175.2 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | L16 K24 G69 T77 | L16-T67 PolarHBondContact O-N 2.95Å; L16-T67 PolarHBondContact O-OG1 3.23Å; K24-T67 WeakPolarHBondContact CE-O 3.27Å; T67-G69 PolarHBondContact O-N 3.36Å; T67-T77 HydrophobicContact CG2-CG2 3.96Å |
| 68 | A | 84.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 127.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T43 G45 Y73 T77 | T43-A68 WeakPolarHBondContact O-CB 3.43Å; G45-A68 VanDerWaalsContact O-CB 3.24Å; G45-A68 WeakPolarHBondContact O-CB 3.31Å; G45-A68 PolarHBondContact O-N 2.83Å; A68-Y73 HydrophobicContact CB-CD2 3.69Å; A68-Y73 HydrophobicContact CB-CG 4.16Å; A68-T77 PolarHBondContact O-OG1 2.74Å |
| 69 | G | 75.5 | Confident | 84.9 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | trans | -89.4 | 6.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G18 S20 T67 | G18-G69 VanDerWaalsContact O-CA 3.26Å; G18-G69 WeakPolarHBondContact O-CA 3.24Å; S20-G69 PolarHBondContact N-O 3.1Å; S20-G69 VanDerWaalsContact N-O 3.09Å; T67-G69 PolarHBondContact O-N 3.36Å | ||
| 70 | Q | 78.2 | Confident | 84.5 | Confident | 49 Ų | 49 | 45.6 Ų | 45.6 | 23% | 0.229 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -85.8 | 140.6 | 175.8 | -70.6 | -171.9 | 41 | 0 | 0 | 110.7 | R72 Y73 | Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 PolarHBondContact O-N 3.22Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.1Å; Q70-Y73 HydrophobicContact CB-CD2 3.92Å; Q70-Y73 HydrophobicContact CB-CE2 4.35Å; Q70-Y73 PolarHBondContact O-N 3.04Å; Q70-Y73 VanDerWaalsContact O-N 3.09Å |
| 71 | E | 70.5 | Confident | 84.3 | Confident | 117 Ų | 117 | 45.6 Ų | 45.6 | 55% | 0.547 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -57.7 | -39.6 | -178.7 | -173.1 | -88 | 176 | 0 | 0 | 113.2 | Y73 R74 | E71-Y73 PolarHBondContact O-N 3.02Å; E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 VanDerWaalsContact O-CG 3.28Å; E71-R74 WeakPolarHBondContact O-CG 3.17Å; E71-R74 PolarHBondContact O-N 3.07Å |
| 72 | R | 75.9 | Confident | 83.9 | Confident | 187 Ų | 187 | 54 Ų | 54 | 71% | 0.706 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -60.5 | -15.5 | 178.9 | -64.9 | -175.7 | -64.6 | 166.9 | 0.8 | 114.5 | Q70 | Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 PolarHBondContact O-N 3.22Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.1Å |
| 73 | Y | 78.2 | Confident | 83.7 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -104.4 | 5.1 | 177.7 | -59 | -53.4 | 0 | 0 | 0 | 113.6 | A68 Q70 E71 A75 I76 T77 | A68-Y73 HydrophobicContact CB-CD2 3.69Å; A68-Y73 HydrophobicContact CB-CG 4.16Å; Q70-Y73 HydrophobicContact CB-CD2 3.92Å; Q70-Y73 HydrophobicContact CB-CE2 4.35Å; Q70-Y73 PolarHBondContact O-N 3.04Å; Q70-Y73 VanDerWaalsContact O-N 3.09Å; E71-Y73 PolarHBondContact O-N 3.02Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.18Å; Y73-I76 HydrophobicContact CD1-CD1 4.27Å; Y73-I76 WeakPolarHBondContact O-CA 3.28Å; Y73-I76 WeakPolarHBondContact O-CB 3.34Å; Y73-I76 PolarHBondContact O-N 3.09Å; Y73-T77 PolarHBondContact O-N 3.06Å; Y73-T77 PolarHBondContact O-OG1 3.01Å |
| 74 | R | 71 | Confident | 83.6 | Confident | 65 Ų | 65 | 53.3 Ų | 53.3 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.3 | -42.5 | -176.8 | -82.2 | -178.5 | -173.5 | 162.1 | 12.1 | 114.6 | E71 I76 T77 S78 E108 | E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 VanDerWaalsContact O-CG 3.28Å; E71-R74 WeakPolarHBondContact O-CG 3.17Å; E71-R74 PolarHBondContact O-N 3.07Å; R74-I76 PolarHBondContact O-N 3.24Å; R74-T77 PolarHBondContact O-N 3.25Å; R74-S78 PolarHBondContact O-N 3.03Å; R74-E108 IonicContact NE-OE2 3.32Å |
| 75 | A | 73.5 | Confident | 83.6 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 72% | 0.719 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.6 | -28.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y73 S78 | Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.18Å; A75-S78 PolarHBondContact O-OG 2.99Å |
| 76 | I | 75 | Confident | 83.8 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -78.1 | -43.4 | 174 | -62.1 | 173.8 | 0 | 0 | 0 | 109.2 | Y73 R74 S78 A79 Y80 | Y73-I76 HydrophobicContact CD1-CD1 4.27Å; Y73-I76 WeakPolarHBondContact O-CA 3.28Å; Y73-I76 WeakPolarHBondContact O-CB 3.34Å; Y73-I76 PolarHBondContact O-N 3.09Å; R74-I76 PolarHBondContact O-N 3.24Å; I76-S78 PolarHBondContact O-N 3.5Å; I76-A79 WeakPolarHBondContact O-CB 3.48Å; I76-A79 PolarHBondContact O-N 3.02Å; I76-Y80 HydrophobicContact CG2-CE2 3.78Å; I76-Y80 WeakPolarHBondContact O-CD2 3.39Å; I76-Y80 VanDerWaalsContact O-CE2 3.31Å; I76-Y80 WeakPolarHBondContact O-CE2 3.42Å |
| 77 | T | 77.1 | Confident | 84 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -42.8 | -178.7 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | T67 A68 Y73 R74 A79 Y80 Y81 W105 | T67-T77 HydrophobicContact CG2-CG2 3.96Å; A68-T77 PolarHBondContact O-OG1 2.74Å; Y73-T77 PolarHBondContact O-N 3.06Å; Y73-T77 PolarHBondContact O-OG1 3.01Å; R74-T77 PolarHBondContact O-N 3.25Å; T77-A79 PolarHBondContact O-N 3.02Å; T77-Y80 PolarHBondContact O-N 2.97Å; T77-Y81 HydrophobicContact CG2-CE1 3.73Å; T77-Y81 VanDerWaalsContact CG2-OH 3.25Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.47Å; T77-W105 HydrophobicContact CG2-CZ3 4.37Å |
| 78 | S | 79.8 | Confident | 84.6 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -30 | -177.3 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | R74 A75 I76 Y80 Y81 | R74-S78 PolarHBondContact O-N 3.03Å; A75-S78 PolarHBondContact O-OG 2.99Å; I76-S78 PolarHBondContact O-N 3.5Å; S78-Y80 PolarHBondContact O-N 3.35Å; S78-Y81 PolarHBondContact O-N 3.37Å |
| 79 | A | 85.7 | Confident | 85.2 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 57% | 0.57 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.5 | -27.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I76 T77 | I76-A79 WeakPolarHBondContact O-CB 3.48Å; I76-A79 PolarHBondContact O-N 3.02Å; T77-A79 PolarHBondContact O-N 3.02Å |
| 80 | Y | 88 | Confident | 86.3 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 26% | 0.255 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -82.4 | -16.2 | -179.2 | -66 | -88.6 | 0 | 0 | 0 | 113.3 | K13 V46 W65 I76 T77 S78 R82 | K13-Y80 WeakPolarHBondContact CE-O 3.49Å; K13-Y80 PolarHBondContact NZ-O 3.42Å; V46-Y80 HydrophobicContact CB-CE1 4.1Å; V46-Y80 HydrophobicContact CB-CE2 4.22Å; V46-Y80 HydrophobicContact CG1-CD1 4.1Å; V46-Y80 HydrophobicContact CG1-CE1 3.91Å; V46-Y80 HydrophobicContact CG2-CD1 4.39Å; V46-Y80 HydrophobicContact CG2-CD2 3.71Å; V46-Y80 HydrophobicContact CG2-CE1 4.05Å; V46-Y80 HydrophobicContact CG2-CE2 3.33Å; V46-Y80 HydrophobicContact CG2-CG 4.23Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.49Å; W65-Y80 HydrophobicContact CD2-CD1 4.15Å; W65-Y80 AromaticContact CE3-CD1 3.56Å; W65-Y80 HydrophobicContact CE3-CD1 3.56Å; W65-Y80 AromaticContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CH2-CE1 4.49Å; W65-Y80 AromaticContact CZ3-CD1 3.86Å; W65-Y80 HydrophobicContact CZ3-CD1 3.86Å; W65-Y80 AromaticContact CZ3-CE1 3.55Å; W65-Y80 HydrophobicContact CZ3-CE1 3.55Å; I76-Y80 HydrophobicContact CG2-CE2 3.78Å; I76-Y80 WeakPolarHBondContact O-CD2 3.39Å; I76-Y80 VanDerWaalsContact O-CE2 3.31Å; I76-Y80 WeakPolarHBondContact O-CE2 3.42Å; T77-Y80 PolarHBondContact O-N 2.97Å; S78-Y80 PolarHBondContact O-N 3.35Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 2.94Å |
| 81 | Y | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.9 | -28.9 | 177.4 | -58.4 | -24 | 0 | 0 | 0 | 112.6 | V15 I17 T77 S78 G83 A84 E108 L109 H112 | V15-Y81 HydrophobicContact CG2-CD1 4.31Å; I17-Y81 HydrophobicContact CG2-CD1 4.46Å; I17-Y81 HydrophobicContact CG2-CE1 3.52Å; T77-Y81 HydrophobicContact CG2-CE1 3.73Å; T77-Y81 VanDerWaalsContact CG2-OH 3.25Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.47Å; S78-Y81 PolarHBondContact O-N 3.37Å; Y81-G83 PolarHBondContact O-N 3.03Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.39Å; Y81-A84 PolarHBondContact O-N 3.16Å; Y81-E108 HydrophobicContact CE2-CG 3.99Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.27Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.4Å; Y81-E108 PolarHBondContact OH-OE1 3.48Å; Y81-L109 HydrophobicContact CD1-CD1 3.76Å; Y81-L109 HydrophobicContact CD2-CD1 4.39Å; Y81-L109 HydrophobicContact CE1-CD1 4.16Å; Y81-L109 HydrophobicContact CG-CD1 3.9Å; Y81-H112 HydrophobicContact CD2-CB 3.77Å; Y81-H112 HydrophobicContact CG-CB 4.48Å |
| 82 | R | 90.3 | Very high | 88.7 | Confident | 210 Ų | 210 | 44.6 Ų | 44.6 | 79% | 0.792 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 125.5 | 179.2 | -174.1 | 174.7 | -179.6 | 167.8 | 0.6 | 111.2 | K13 Y80 A84 | K13-R82 PolarHBondContact NZ-O 2.96Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 2.94Å; R82-A84 PolarHBondContact O-N 3.35Å |
| 83 | G | 92.7 | Very high | 89.7 | Confident | 37 Ų | 37 | 35.7 Ų | 35.7 | 38% | 0.381 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 9.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y81 | Y81-G83 PolarHBondContact O-N 3.03Š|
| 84 | A | 96.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -71 | 127.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | K13 V15 Y81 R82 I117 | K13-A84 HydrophobicContact CG-CB 4.36Å; V15-A84 HydrophobicContact CG1-CB 3.89Å; V15-A84 HydrophobicContact CG2-CB 4.19Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.39Å; Y81-A84 PolarHBondContact O-N 3.16Å; R82-A84 PolarHBondContact O-N 3.35Å; A84-I117 HydrophobicContact CB-CD1 4.03Å | ||
| 85 | V | 97.2 | Very high | 92 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 29% | 0.285 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -96.5 | -15.1 | 176.8 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | F12 K13 V118 I172 | F12-V85 HydrophobicContact CB-CG2 3.81Å; F12-V85 HydrophobicContact CD1-CG2 4.16Å; F12-V85 HydrophobicContact CG-CG2 4.13Å; K13-V85 WeakPolarHBondContact O-CG2 3.35Å; K13-V85 PolarHBondContact O-N 2.95Å; V85-V118 PolarHBondContact O-N 2.64Å; V85-I172 HydrophobicContact CB-CG2 4.07Å; V85-I172 HydrophobicContact CG2-CD1 4.3Å; V85-I172 HydrophobicContact CG2-CG2 3.81Å |
| 86 | G | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K13 V14 V15 V118 | K13-G86 PolarHBondContact O-N 3.07Å; V14-G86 VanDerWaalsContact CA-O 3.29Å; V14-G86 WeakPolarHBondContact CA-O 3.31Å; V15-G86 PolarHBondContact N-O 3.2Å; G86-V118 CarbonylContact C-O 3.54Å; G86-V118 WeakPolarHBondContact CA-O 3.46Å |
| 87 | A | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 134.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V15 L109 I117 V118 I119 M120 I168 | V15-A87 HydrophobicContact CG2-CB 3.73Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.36Å; A87-L109 HydrophobicContact CB-CD1 4.24Å; A87-L109 HydrophobicContact CB-CD2 3.44Å; A87-L109 VanDerWaalsContact CB-CD2 3.44Å; A87-L109 HydrophobicContact CB-CG 4.49Å; A87-I117 HydrophobicContact CB-CD1 3.99Å; A87-V118 PolarHBondContact N-O 3.28Å; A87-I119 WeakPolarHBondContact O-CA 3.16Å; A87-M120 PolarHBondContact O-N 2.91Å; A87-I168 VanDerWaalsContact O-CD1 3.31Å; A87-I168 WeakPolarHBondContact O-CD1 3.2Å |
| 88 | L | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 115 | 162 | -60.3 | -172.3 | 0 | 0 | 0 | 108.6 | V15 L16 I17 V90 M120 V122 F165 I168 | V15-L88 PolarHBondContact O-N 3.31Å; L16-L88 HydrophobicContact CD2-CB 3.66Å; L16-L88 HydrophobicContact CD2-CD1 3.65Å; L16-L88 HydrophobicContact CD2-CG 3.85Å; I17-L88 PolarHBondContact N-O 3.37Å; L88-V90 HydrophobicContact CB-CG2 4.2Å; L88-M120 HydrophobicContact CD2-CB 3.72Å; L88-M120 HydrophobicContact CD2-CG 4.18Å; L88-M120 HydrophobicContact CD2-SD 3.89Å; L88-V122 HydrophobicContact CB-CG2 4.12Å; L88-V122 HydrophobicContact CD1-CG2 4.45Å; L88-V122 HydrophobicContact CD2-CG2 3.93Å; L88-V122 HydrophobicContact CG-CG2 4.4Å; L88-F165 HydrophobicContact CD1-CD1 4.02Å; L88-F165 HydrophobicContact CD1-CD2 4.5Å; L88-F165 HydrophobicContact CD1-CE1 3.58Å; L88-F165 HydrophobicContact CD1-CE2 4.11Å; L88-F165 HydrophobicContact CD1-CG 4.46Å; L88-F165 HydrophobicContact CD1-CZ 3.63Å; L88-I168 HydrophobicContact CD2-CB 4.3Å; L88-I168 HydrophobicContact CD2-CD1 3.64Å; L88-I168 HydrophobicContact CD2-CG2 4.05Å; L88-I168 HydrophobicContact CG-CD1 4.45Å |
| 89 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 103.2 | 176.4 | 176.5 | 54.3 | 0 | 0 | 0 | 108.9 | I17 V102 W105 L106 I119 M120 L121 V122 | I17-L89 HydrophobicContact CD1-CB 4.47Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.25Å; I17-L89 HydrophobicContact CG1-CD1 3.77Å; L89-V102 HydrophobicContact CD1-CG1 4.38Å; L89-V102 HydrophobicContact CD2-CG1 3.48Å; L89-V102 VanDerWaalsContact CD2-CG1 3.48Å; L89-V102 HydrophobicContact CG-CG1 3.89Å; L89-W105 HydrophobicContact CD1-CB 3.5Å; L89-W105 HydrophobicContact CD1-CG 4.33Å; L89-L106 HydrophobicContact CD2-CB 3.84Å; L89-L106 HydrophobicContact CD2-CD1 4.21Å; L89-I119 HydrophobicContact CB-CG2 4.35Å; L89-M120 PolarHBondContact N-O 3.43Å; L89-L121 HydrophobicContact CD2-CD1 4.34Å; L89-L121 HydrophobicContact CG-CD1 4.08Å; L89-V122 PolarHBondContact O-N 2.78Å |
| 90 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.5 | -165.5 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | I17 V22 K24 L27 L88 V122 N124 | I17-V90 PolarHBondContact O-N 3.14Å; V22-V90 HydrophobicContact CB-CG1 4.31Å; V22-V90 HydrophobicContact CG2-CB 3.92Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; K24-V90 HydrophobicContact CG-CB 4.09Å; K24-V90 HydrophobicContact CG-CG2 4.15Å; L27-V90 HydrophobicContact CD1-CG1 3.85Å; L27-V90 HydrophobicContact CD1-CG2 4.12Å; L88-V90 HydrophobicContact CB-CG2 4.2Å; V90-V122 WeakPolarHBondContact CA-O 3.42Å; V90-V122 HydrophobicContact CG2-CB 4.27Å; V90-N124 HydrophobicContact CG1-CB 3.74Å |
| 91 | Y | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 166.2 | 168.1 | 73.9 | -83.5 | 0 | 0 | 0 | 110.9 | I93 Y99 V102 L121 V122 N124 V134 A139 F150 | Y91-I93 HydrophobicContact CE2-CG2 3.95Å; Y91-Y99 HydrophobicContact CD1-CD2 4.3Å; Y91-Y99 HydrophobicContact CD2-CD2 4.18Å; Y91-Y99 HydrophobicContact CD2-CG 4.42Å; Y91-Y99 HydrophobicContact CE1-CD2 4.28Å; Y91-Y99 HydrophobicContact CE2-CD2 4.16Å; Y91-Y99 HydrophobicContact CG-CD2 4.25Å; Y91-V102 HydrophobicContact CD1-CG2 4.29Å; Y91-V102 HydrophobicContact CG-CG2 4.33Å; Y91-L121 HydrophobicContact CD1-CD1 3.83Å; Y91-L121 HydrophobicContact CD1-CG 4.25Å; Y91-L121 HydrophobicContact CE1-CD1 4.03Å; Y91-L121 HydrophobicContact CE1-CD2 4.16Å; Y91-L121 HydrophobicContact CE1-CG 3.95Å; Y91-V122 WeakPolarHBondContact CD1-O 3.46Å; Y91-V122 PolarHBondContact N-O 3.46Å; Y91-N124 PolarHBondContact O-N 2.72Å; Y91-V134 HydrophobicContact CD2-CG2 4.34Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.8Å; Y91-V134 HydrophobicContact CE2-CG2 4.09Å; Y91-A139 HydrophobicContact CE1-CB 4.23Å; Y91-A139 WeakPolarHBondContact OH-CB 3.3Å; Y91-F150 HydrophobicContact CE1-CE2 4.35Å |
| 92 | D | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119.2 | 176.3 | -179.7 | -16.9 | 0 | 0 | 0 | 109.2 | V22 A94 K95 T98 K125 | V22-D92 HydrophobicContact CB-CB 4.36Å; V22-D92 HydrophobicContact CG1-CB 4.26Å; D92-A94 PolarHBondContact O-N 2.84Å; D92-A94 VanDerWaalsContact O-N 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.43Å; D92-A94 PolarHBondContact OD1-N 3.13Å; D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 HydrophobicContact CB-CG 4.41Å; D92-K95 PolarHBondContact O-N 3.36Å; D92-T98 HydrophobicContact CB-CG2 4.38Å; D92-T98 PolarHBondContact N-OG1 2.98Å; D92-T98 PolarHBondContact O-OG1 3.46Å; D92-K125 WeakPolarHBondContact OD2-CD 3.48Å; D92-K125 WeakPolarHBondContact OD2-CE 3.32Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.13Å |
| 93 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21 | -177.4 | 65.5 | 148.7 | 0 | 0 | 0 | 113.5 | Y91 N124 K125 R132 A133 V134 | Y91-I93 HydrophobicContact CE2-CG2 3.95Å; I93-N124 PolarHBondContact N-O 3.04Å; I93-K125 WeakPolarHBondContact CD1-O 3.28Å; I93-K125 VanDerWaalsContact CG1-O 3.3Å; I93-K125 WeakPolarHBondContact CG1-O 3.25Å; I93-R132 HydrophobicContact CD1-CB 4.47Å; I93-A133 PolarHBondContact O-N 2.84Å; I93-V134 PolarHBondContact O-N 2.71Å; I93-V134 VanDerWaalsContact O-N 3.12Å |
| 94 | A | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 17% | 0.174 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -3.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D92 L128 L131 | D92-A94 PolarHBondContact O-N 2.84Å; D92-A94 VanDerWaalsContact O-N 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.43Å; D92-A94 PolarHBondContact OD1-N 3.13Å; A94-L128 HydrophobicContact CB-CB 4.09Å; A94-L128 HydrophobicContact CB-CD1 3.93Å; A94-L131 VanDerWaalsContact CA-O 3.31Å; A94-L131 WeakPolarHBondContact CA-O 3.1Å; A94-L131 HydrophobicContact CB-CB 3.96Å; A94-L131 WeakPolarHBondContact CB-O 3.23Å |
| 95 | K | 98 | Very high | 97.9 | Very high | 113 Ų | 113 | 35.9 Ų | 35.9 | 49% | 0.491 | 17% | 0.173 | S | C | . | . | trans | -131 | 96.1 | -177.5 | -62.4 | -175 | -178.5 | -176 | 0 | 111.6 | D92 L97 T98 | D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 HydrophobicContact CB-CG 4.41Å; D92-K95 PolarHBondContact O-N 3.36Å; K95-L97 VanDerWaalsContact C-N 3.28Å; K95-L97 PolarHBondContact O-N 2.55Å; K95-T98 HydrophobicContact CB-CG2 3.78Å; K95-T98 HydrophobicContact CD-CG2 4.35Å; K95-T98 WeakPolarHBondContact O-CB 3.45Å; K95-T98 PolarHBondContact O-N 2.9Å; K95-T98 PolarHBondContact O-OG1 3.25Å | ||
| 96 | H | 97.9 | Very high | 97.9 | Very high | 68 Ų | 68 | 33.9 Ų | 33.9 | 32% | 0.315 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -51.7 | -42 | -178.6 | -169.4 | -91.7 | 0 | 0 | 0 | 113.9 | T98 Y99 E100 A133 | H96-T98 PolarHBondContact O-N 2.85Å; H96-T98 VanDerWaalsContact O-N 3.15Å; H96-Y99 WeakPolarHBondContact O-CA 3.38Å; H96-Y99 WeakPolarHBondContact O-CB 3.35Å; H96-Y99 PolarHBondContact O-N 3.4Å; H96-E100 VanDerWaalsContact CE1-CG 3.49Å; H96-E100 WeakPolarHBondContact CE1-CG 3.4Å; H96-E100 IonicContact CE1-OE1 3.65Å; H96-E100 PolarHBondContact CE1-OE1 2.89Å; H96-E100 VanDerWaalsContact ND1-CD 3.3Å; H96-E100 WeakPolarHBondContact ND1-CG 3.34Å; H96-E100 IonicContact ND1-OE1 3.79Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 IonicContact ND1-OE2 3Å; H96-E100 PolarHBondContact O-N 3.32Å; H96-A133 HydrophobicContact CB-CB 4.15Å |
| 97 | L | 97.9 | Very high | 97.8 | Very high | 107 Ų | 107 | 39.7 Ų | 39.7 | 56% | 0.56 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -56.5 | -34.1 | 178.1 | -178.5 | 62.1 | 0 | 0 | 0 | 113.3 | K95 Y99 E100 N101 | K95-L97 VanDerWaalsContact C-N 3.28Å; K95-L97 PolarHBondContact O-N 2.55Å; L97-Y99 VanDerWaalsContact C-N 3.25Å; L97-Y99 PolarHBondContact O-N 3.07Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.34Å; L97-E100 PolarHBondContact O-N 2.97Å; L97-N101 WeakPolarHBondContact O-CB 2.92Å; L97-N101 VanDerWaalsContact O-CG 3.27Å; L97-N101 PolarHBondContact O-N 3.35Å; L97-N101 VanDerWaalsContact O-N 3.08Å; L97-N101 PolarHBondContact O-ND2 2.92Å |
| 98 | T | 97.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.1 | -27.9 | 178.5 | 70.5 | 0 | 0 | 0 | 0 | 112 | D19 V22 D92 K95 H96 | D19-T98 HydrophobicContact CB-CG2 4.2Å; V22-T98 HydrophobicContact CG1-CG2 3.86Å; D92-T98 HydrophobicContact CB-CG2 4.38Å; D92-T98 PolarHBondContact N-OG1 2.98Å; D92-T98 PolarHBondContact O-OG1 3.46Å; K95-T98 HydrophobicContact CB-CG2 3.78Å; K95-T98 HydrophobicContact CD-CG2 4.35Å; K95-T98 WeakPolarHBondContact O-CB 3.45Å; K95-T98 PolarHBondContact O-N 2.9Å; K95-T98 PolarHBondContact O-OG1 3.25Å; H96-T98 PolarHBondContact O-N 2.85Å; H96-T98 VanDerWaalsContact O-N 3.15Å |
| 99 | Y | 98.6 | Very high | 97.4 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 8% | 0.082 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77.9 | -43.6 | 173.2 | 171.4 | -102.6 | 0 | 0 | 0 | 111.7 | Y91 H96 L97 N101 V102 V134 E138 A139 F142 | Y91-Y99 HydrophobicContact CD1-CD2 4.3Å; Y91-Y99 HydrophobicContact CD2-CD2 4.18Å; Y91-Y99 HydrophobicContact CD2-CG 4.42Å; Y91-Y99 HydrophobicContact CE1-CD2 4.28Å; Y91-Y99 HydrophobicContact CE2-CD2 4.16Å; Y91-Y99 HydrophobicContact CG-CD2 4.25Å; H96-Y99 WeakPolarHBondContact O-CA 3.38Å; H96-Y99 WeakPolarHBondContact O-CB 3.35Å; H96-Y99 PolarHBondContact O-N 3.4Å; L97-Y99 VanDerWaalsContact C-N 3.25Å; L97-Y99 PolarHBondContact O-N 3.07Å; Y99-N101 PolarHBondContact O-N 3.28Å; Y99-V102 HydrophobicContact CD2-CG2 4.33Å; Y99-V102 WeakPolarHBondContact O-CB 3.31Å; Y99-V102 VanDerWaalsContact O-CG2 3.25Å; Y99-V102 WeakPolarHBondContact O-CG2 3.31Å; Y99-V102 PolarHBondContact O-N 2.84Å; Y99-V134 HydrophobicContact CD1-CG1 3.94Å; Y99-V134 HydrophobicContact CD1-CG2 4.36Å; Y99-V134 HydrophobicContact CD2-CG1 3.89Å; Y99-V134 HydrophobicContact CE1-CG1 4.31Å; Y99-V134 HydrophobicContact CE2-CG1 4.27Å; Y99-V134 HydrophobicContact CG-CG1 3.71Å; Y99-V134 HydrophobicContact CG-CG2 4.03Å; Y99-E138 HydrophobicContact CE1-CG 4.27Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.21Å; Y99-E138 PolarHBondContact OH-O 2.94Å; Y99-A139 HydrophobicContact CD2-CB 4.48Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; Y99-F142 WeakPolarHBondContact OH-CB 3.36Å |
| 100 | E | 97.9 | Very high | 97.3 | Very high | 107 Ų | 107 | 46.3 Ų | 46.3 | 50% | 0.5 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.5 | -38.1 | 173.2 | -68.9 | 174.9 | 159.2 | 0 | 0 | 111.8 | H96 L97 V102 | H96-E100 VanDerWaalsContact CE1-CG 3.49Å; H96-E100 WeakPolarHBondContact CE1-CG 3.4Å; H96-E100 IonicContact CE1-OE1 3.65Å; H96-E100 PolarHBondContact CE1-OE1 2.89Å; H96-E100 VanDerWaalsContact ND1-CD 3.3Å; H96-E100 WeakPolarHBondContact ND1-CG 3.34Å; H96-E100 IonicContact ND1-OE1 3.79Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 IonicContact ND1-OE2 3Å; H96-E100 PolarHBondContact O-N 3.32Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.34Å; L97-E100 PolarHBondContact O-N 2.97Å; E100-V102 PolarHBondContact O-N 2.97Å |
| 101 | N | 97.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.2 | 178.4 | -74.7 | -31.4 | 0 | 0 | 0 | 114.3 | D19 L97 Y99 E103 R104 W105 | D19-N101 PolarHBondContact OD2-ND2 2.95Å; L97-N101 WeakPolarHBondContact O-CB 2.92Å; L97-N101 VanDerWaalsContact O-CG 3.27Å; L97-N101 PolarHBondContact O-N 3.35Å; L97-N101 VanDerWaalsContact O-N 3.08Å; L97-N101 PolarHBondContact O-ND2 2.92Å; Y99-N101 PolarHBondContact O-N 3.28Å; N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 2.64Å; N101-R104 PolarHBondContact ND2-NH2 3.41Å; N101-R104 WeakPolarHBondContact O-CB 3.04Å; N101-R104 PolarHBondContact O-N 3.35Å; N101-R104 VanDerWaalsContact OD1-CZ 3.29Å; N101-R104 PolarHBondContact OD1-NH1 3.18Å; N101-R104 PolarHBondContact OD1-NH2 2.97Å; N101-W105 PolarHBondContact O-N 2.96Å |
| 102 | V | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -41.3 | 178.2 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | L89 Y91 Y99 E100 R104 W105 L106 L121 F142 | L89-V102 HydrophobicContact CD1-CG1 4.38Å; L89-V102 HydrophobicContact CD2-CG1 3.48Å; L89-V102 VanDerWaalsContact CD2-CG1 3.48Å; L89-V102 HydrophobicContact CG-CG1 3.89Å; Y91-V102 HydrophobicContact CD1-CG2 4.29Å; Y91-V102 HydrophobicContact CG-CG2 4.33Å; Y99-V102 HydrophobicContact CD2-CG2 4.33Å; Y99-V102 WeakPolarHBondContact O-CB 3.31Å; Y99-V102 VanDerWaalsContact O-CG2 3.25Å; Y99-V102 WeakPolarHBondContact O-CG2 3.31Å; Y99-V102 PolarHBondContact O-N 2.84Å; E100-V102 PolarHBondContact O-N 2.97Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.28Å; V102-W105 PolarHBondContact O-N 3.35Å; V102-L106 WeakPolarHBondContact O-CB 3.46Å; V102-L106 PolarHBondContact O-N 2.83Å; V102-L121 HydrophobicContact CG1-CD1 3.61Å; V102-L121 HydrophobicContact CG2-CD1 4.16Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.73Å |
| 103 | E | 97.8 | Very high | 96.6 | Very high | 137 Ų | 137 | 56.2 Ų | 56.2 | 64% | 0.64 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.4 | -41.2 | -179.4 | -176.2 | 169.4 | -151.9 | 0 | 0 | 111.7 | N101 L106 K107 F142 | N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 2.64Å; E103-L106 PolarHBondContact O-N 3.45Å; E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 PolarHBondContact O-N 2.73Å; E103-F142 HydrophobicContact CB-CE2 4.42Å |
| 104 | R | 95.4 | Very high | 96.3 | Very high | 90 Ų | 90 | 60.6 Ų | 60.6 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 175.6 | -179.8 | -177.2 | 64.5 | -137.1 | 0.5 | 111.7 | D19 N101 V102 L106 K107 E108 | D19-R104 IonicContact OD1-NH2 3.43Å; D19-R104 PolarHBondContact OD1-NH2 3.2Å; N101-R104 PolarHBondContact ND2-NH2 3.41Å; N101-R104 WeakPolarHBondContact O-CB 3.04Å; N101-R104 PolarHBondContact O-N 3.35Å; N101-R104 VanDerWaalsContact OD1-CZ 3.29Å; N101-R104 PolarHBondContact OD1-NH1 3.18Å; N101-R104 PolarHBondContact OD1-NH2 2.97Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.28Å; R104-L106 VanDerWaalsContact C-N 3.34Å; R104-K107 PolarHBondContact O-N 3.49Å; R104-E108 WeakPolarHBondContact O-CB 3.26Å; R104-E108 PolarHBondContact O-N 3.15Å |
| 105 | W | 95.6 | Very high | 96 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 178.1 | -76.1 | 111.7 | 0 | 0 | 0 | 112.1 | I17 G18 D19 T77 L89 N101 V102 E108 L109 | I17-W105 HydrophobicContact CB-CE3 4.31Å; I17-W105 HydrophobicContact CD1-CB 4.4Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.2Å; D19-W105 PolarHBondContact OD1-NE1 3.29Å; T77-W105 HydrophobicContact CG2-CZ3 4.37Å; L89-W105 HydrophobicContact CD1-CB 3.5Å; L89-W105 HydrophobicContact CD1-CG 4.33Å; N101-W105 PolarHBondContact O-N 2.96Å; V102-W105 PolarHBondContact O-N 3.35Å; W105-E108 PolarHBondContact O-N 3.12Å; W105-L109 WeakPolarHBondContact O-CB 3.41Å; W105-L109 PolarHBondContact O-N 3.35Å |
| 106 | L | 97.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.2 | -179.5 | 60 | 0 | 0 | 0 | 111.5 | L89 V102 E103 R104 L109 R110 I119 F142 N146 L148 | L89-L106 HydrophobicContact CD2-CB 3.84Å; L89-L106 HydrophobicContact CD2-CD1 4.21Å; V102-L106 WeakPolarHBondContact O-CB 3.46Å; V102-L106 PolarHBondContact O-N 2.83Å; E103-L106 PolarHBondContact O-N 3.45Å; R104-L106 VanDerWaalsContact C-N 3.34Å; L106-L109 PolarHBondContact O-N 2.88Å; L106-R110 HydrophobicContact CD1-CG 4.44Å; L106-R110 WeakPolarHBondContact O-CB 3.39Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 3.48Å; L106-I119 HydrophobicContact CD1-CD1 3.79Å; L106-I119 HydrophobicContact CD1-CG2 4.35Å; L106-F142 HydrophobicContact CD2-CE1 4.22Å; L106-F142 HydrophobicContact CD2-CZ 3.95Å; L106-N146 HydrophobicContact CD2-CB 3.98Å; L106-L148 HydrophobicContact CD1-CD1 4.32Å; L106-L148 HydrophobicContact CD1-CD2 4.02Å; L106-L148 HydrophobicContact CD2-CD1 4.14Å |
| 107 | K | 95.8 | Very high | 95.7 | Very high | 122 Ų | 122 | 63 Ų | 63 | 53% | 0.53 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -50.7 | 176.1 | -169.9 | -164.4 | -175.9 | -44.6 | 0 | 110.9 | E103 R104 L109 R110 D111 | E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 PolarHBondContact O-N 2.73Å; R104-K107 PolarHBondContact O-N 3.49Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.2Å; K107-R110 PolarHBondContact O-N 2.6Å; K107-R110 VanDerWaalsContact O-N 3.16Å; K107-D111 IonicContact NZ-OD1 4Å; K107-D111 PolarHBondContact NZ-OD1 2.75Å; K107-D111 IonicContact NZ-OD2 3.39Å; K107-D111 PolarHBondContact NZ-OD2 3.23Å; K107-D111 PolarHBondContact O-N 3.02Å |
| 108 | E | 93.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.1 | -42.7 | -179.2 | -165.7 | -167.6 | 114 | 0 | 0 | 111.8 | R74 Y81 R104 W105 D111 H112 | R74-E108 IonicContact NE-OE2 3.32Å; Y81-E108 HydrophobicContact CE2-CG 3.99Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.27Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.4Å; Y81-E108 PolarHBondContact OH-OE1 3.48Å; R104-E108 WeakPolarHBondContact O-CB 3.26Å; R104-E108 PolarHBondContact O-N 3.15Å; W105-E108 PolarHBondContact O-N 3.12Å; E108-D111 PolarHBondContact O-N 3.32Å; E108-H112 PolarHBondContact O-ND1 3.03Å |
| 109 | L | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -50 | 175.2 | -179.6 | 69.2 | 0 | 0 | 0 | 111.3 | V15 I17 Y81 A87 W105 L106 K107 D111 H112 A113 I117 I119 | V15-L109 HydrophobicContact CG2-CD1 4.23Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.3Å; I17-L109 HydrophobicContact CD1-CD2 3.82Å; I17-L109 HydrophobicContact CD1-CG 4.22Å; Y81-L109 HydrophobicContact CD1-CD1 3.76Å; Y81-L109 HydrophobicContact CD2-CD1 4.39Å; Y81-L109 HydrophobicContact CE1-CD1 4.16Å; Y81-L109 HydrophobicContact CG-CD1 3.9Å; A87-L109 HydrophobicContact CB-CD1 4.24Å; A87-L109 HydrophobicContact CB-CD2 3.44Å; A87-L109 VanDerWaalsContact CB-CD2 3.44Å; A87-L109 HydrophobicContact CB-CG 4.49Å; W105-L109 WeakPolarHBondContact O-CB 3.41Å; W105-L109 PolarHBondContact O-N 3.35Å; L106-L109 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.2Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 2.79Å; L109-H112 PolarHBondContact O-N 3.25Å; L109-A113 HydrophobicContact CD1-CB 4.02Å; L109-A113 HydrophobicContact CG-CB 4.31Å; L109-A113 WeakPolarHBondContact O-CB 3.36Å; L109-A113 PolarHBondContact O-N 2.91Å; L109-I117 HydrophobicContact CD1-CD1 3.92Å; L109-I117 HydrophobicContact CD2-CD1 4.23Å; L109-I117 HydrophobicContact CG-CD1 4.28Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.89Å; L109-I119 HydrophobicContact CD2-CG2 4.38Å |
| 110 | R | 95.7 | Very high | 95.8 | Very high | 117 Ų | 117 | 57.9 Ų | 57.9 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -29.9 | -179.2 | -75.9 | 176.6 | 169.6 | 165.5 | -1.3 | 113.4 | L106 K107 H112 N146 | L106-R110 HydrophobicContact CD1-CG 4.44Å; L106-R110 WeakPolarHBondContact O-CB 3.39Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 3.48Å; K107-R110 PolarHBondContact O-N 2.6Å; K107-R110 VanDerWaalsContact O-N 3.16Å; R110-H112 VanDerWaalsContact C-N 3.26Å; R110-H112 PolarHBondContact O-N 3.49Å; R110-N146 PolarHBondContact NH1-OD1 2.71Å; R110-N146 PolarHBondContact NH2-O 2.83Å |
| 111 | D | 94 | Very high | 95.8 | Very high | 95 Ų | 95 | 52.8 Ų | 52.8 | 51% | 0.508 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.2 | -19.8 | 178.4 | -68.8 | -17.4 | 0 | 0 | 0 | 112.8 | K107 E108 L109 | K107-D111 IonicContact NZ-OD1 4Å; K107-D111 PolarHBondContact NZ-OD1 2.75Å; K107-D111 IonicContact NZ-OD2 3.39Å; K107-D111 PolarHBondContact NZ-OD2 3.23Å; K107-D111 PolarHBondContact O-N 3.02Å; E108-D111 PolarHBondContact O-N 3.32Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 2.79Å |
| 112 | H | 92.6 | Very high | 95.9 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -130 | -16.9 | -169 | -63.1 | 94.4 | 0 | 0 | 0 | 115.1 | Y81 E108 L109 R110 | Y81-H112 HydrophobicContact CD2-CB 3.77Å; Y81-H112 HydrophobicContact CG-CB 4.48Å; E108-H112 PolarHBondContact O-ND1 3.03Å; L109-H112 PolarHBondContact O-N 3.25Å; R110-H112 VanDerWaalsContact C-N 3.26Å; R110-H112 PolarHBondContact O-N 3.49Å |
| 113 | A | 94.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -91 | 168.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L109 I117 | L109-A113 HydrophobicContact CD1-CB 4.02Å; L109-A113 HydrophobicContact CG-CB 4.31Å; L109-A113 WeakPolarHBondContact O-CB 3.36Å; L109-A113 PolarHBondContact O-N 2.91Å; A113-I117 HydrophobicContact CB-CB 4.4Å; A113-I117 HydrophobicContact CB-CD1 3.78Å; A113-I117 HydrophobicContact CB-CG2 4.16Å |
| 114 | D | 92.9 | Very high | 96 | Very high | 92 Ų | 92 | 45 Ų | 45 | 49% | 0.492 | 23% | 0.227 | S | C | . | . | trans | -63 | 142.6 | 171.8 | -69.6 | -66.2 | 0 | 0 | 0 | 111 | N116 I117 | D114-N116 PolarHBondContact O-N 2.85Å; D114-I117 WeakPolarHBondContact O-CB 3.47Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.46Å; D114-I117 PolarHBondContact O-N 2.91Å | ||
| 115 | S | 92.5 | Very high | 96.1 | Very high | 114 Ų | 114 | 42.9 Ų | 42.9 | 80% | 0.797 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.6 | -175.9 | 63 | 0 | 0 | 0 | 0 | 114.3 | ||
| 116 | N | 92.5 | Very high | 96.2 | Very high | 116 Ų | 116 | 43 Ų | 43 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | 13.3 | -178.6 | -58.8 | -34.8 | 0 | 0 | 0 | 112.8 | D114 V118 | D114-N116 PolarHBondContact O-N 2.85Å; N116-V118 PolarHBondContact O-N 3.41Å |
| 117 | I | 97.1 | Very high | 96.3 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | trans | -58.7 | 130.6 | 176.9 | -171.7 | 168.1 | 0 | 0 | 0 | 110.6 | A84 A87 L109 A113 D114 I119 | A84-I117 HydrophobicContact CB-CD1 4.03Å; A87-I117 HydrophobicContact CB-CD1 3.99Å; L109-I117 HydrophobicContact CD1-CD1 3.92Å; L109-I117 HydrophobicContact CD2-CD1 4.23Å; L109-I117 HydrophobicContact CG-CD1 4.28Å; A113-I117 HydrophobicContact CB-CB 4.4Å; A113-I117 HydrophobicContact CB-CD1 3.78Å; A113-I117 HydrophobicContact CB-CG2 4.16Å; D114-I117 WeakPolarHBondContact O-CB 3.47Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.46Å; D114-I117 PolarHBondContact O-N 2.91Å; I117-I119 HydrophobicContact CG1-CG1 4.4Å; I117-I119 HydrophobicContact CG2-CD1 3.94Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å | ||
| 118 | V | 98.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127 | 173.5 | -178 | 0 | 0 | 0 | 0 | 108.7 | V85 G86 A87 N116 I168 E171 I172 I175 | V85-V118 PolarHBondContact O-N 2.64Å; G86-V118 CarbonylContact C-O 3.54Å; G86-V118 WeakPolarHBondContact CA-O 3.46Å; A87-V118 PolarHBondContact N-O 3.28Å; N116-V118 PolarHBondContact O-N 3.41Å; V118-I168 HydrophobicContact CG1-CG1 4.03Å; V118-E171 HydrophobicContact CG1-CB 3.97Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.48Å; V118-I172 HydrophobicContact CB-CG1 3.73Å; V118-I172 HydrophobicContact CG1-CG1 4.36Å; V118-I172 HydrophobicContact CG2-CB 4.47Å; V118-I172 HydrophobicContact CG2-CG1 3.67Å; V118-I175 HydrophobicContact CG2-CD1 3.48Å; V118-I175 VanDerWaalsContact CG2-CD1 3.48Å |
| 119 | I | 98.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.4 | -175.3 | -51.8 | 169.5 | 0 | 0 | 0 | 109.4 | A87 L89 L106 L109 I117 L148 S149 | A87-I119 WeakPolarHBondContact O-CA 3.16Å; L89-I119 HydrophobicContact CB-CG2 4.35Å; L106-I119 HydrophobicContact CD1-CD1 3.79Å; L106-I119 HydrophobicContact CD1-CG2 4.35Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.89Å; L109-I119 HydrophobicContact CD2-CG2 4.38Å; I117-I119 HydrophobicContact CG1-CG1 4.4Å; I117-I119 HydrophobicContact CG2-CD1 3.94Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.22Å; I119-L148 HydrophobicContact CG2-CD1 4.46Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-L148 WeakPolarHBondContact O-CA 3.39Å; I119-S149 PolarHBondContact O-N 2.97Å |
| 120 | M | 98.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.8 | 172.4 | -179.1 | -178.6 | -73 | 0 | 0 | 110 | A87 L88 L89 V122 S149 I151 A164 T167 I168 | A87-M120 PolarHBondContact O-N 2.91Å; L88-M120 HydrophobicContact CD2-CB 3.72Å; L88-M120 HydrophobicContact CD2-CG 4.18Å; L88-M120 HydrophobicContact CD2-SD 3.89Å; L89-M120 PolarHBondContact N-O 3.43Å; M120-V122 HydrophobicContact CG-CG2 3.99Å; M120-V122 HydrophobicContact SD-CG2 4.15Å; M120-S149 CarbonylContact C-O 3.37Å; M120-S149 WeakPolarHBondContact CA-O 3.31Å; M120-S149 VanDerWaalsContact CB-OG 3.32Å; M120-S149 WeakPolarHBondContact CB-OG 3.33Å; M120-S149 WeakPolarHBondContact CE-OG 3.47Å; M120-I151 HydrophobicContact CG-CG2 4.22Å; M120-I151 HydrophobicContact SD-CB 4.44Å; M120-I151 HydrophobicContact SD-CG2 3.48Å; M120-I151 WeakPolarHBondContact SD-CG2 3.16Å; M120-A164 HydrophobicContact SD-CB 4.1Å; M120-T167 HydrophobicContact CE-CG2 3.53Å; M120-I168 HydrophobicContact CB-CD1 4.1Å; M120-I168 HydrophobicContact CE-CB 4.06Å |
| 121 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 127.6 | 167 | -177.9 | 70 | 0 | 0 | 0 | 109.5 | L89 Y91 V102 A139 F142 A143 L148 S149 F150 I151 | L89-L121 HydrophobicContact CD2-CD1 4.34Å; L89-L121 HydrophobicContact CG-CD1 4.08Å; Y91-L121 HydrophobicContact CD1-CD1 3.83Å; Y91-L121 HydrophobicContact CD1-CG 4.25Å; Y91-L121 HydrophobicContact CE1-CD1 4.03Å; Y91-L121 HydrophobicContact CE1-CD2 4.16Å; Y91-L121 HydrophobicContact CE1-CG 3.95Å; V102-L121 HydrophobicContact CG1-CD1 3.61Å; V102-L121 HydrophobicContact CG2-CD1 4.16Å; L121-A139 HydrophobicContact CD2-CB 4.19Å; L121-A139 WeakPolarHBondContact CD2-O 3.42Å; L121-F142 HydrophobicContact CD2-CD1 3.96Å; L121-A143 HydrophobicContact CB-CB 4.24Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; L121-L148 HydrophobicContact CB-CD1 4.32Å; L121-S149 PolarHBondContact N-O 2.88Å; L121-F150 HydrophobicContact CB-CD2 4.08Å; L121-F150 HydrophobicContact CD2-CD2 3.82Å; L121-F150 HydrophobicContact CD2-CE2 4.17Å; L121-F150 HydrophobicContact CG-CD2 3.97Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.23Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; L121-I151 PolarHBondContact O-N 3.4Å; L121-I151 VanDerWaalsContact O-N 3.12Å |
| 122 | V | 98.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 110.5 | -177.7 | -177 | 0 | 0 | 0 | 0 | 110.4 | L27 L88 L89 V90 Y91 M120 N124 I151 T153 | L27-V122 HydrophobicContact CD1-CG1 4.31Å; L88-V122 HydrophobicContact CB-CG2 4.12Å; L88-V122 HydrophobicContact CD1-CG2 4.45Å; L88-V122 HydrophobicContact CD2-CG2 3.93Å; L88-V122 HydrophobicContact CG-CG2 4.4Å; L89-V122 PolarHBondContact O-N 2.78Å; V90-V122 WeakPolarHBondContact CA-O 3.42Å; V90-V122 HydrophobicContact CG2-CB 4.27Å; Y91-V122 WeakPolarHBondContact CD1-O 3.46Å; Y91-V122 PolarHBondContact N-O 3.46Å; M120-V122 HydrophobicContact CG-CG2 3.99Å; M120-V122 HydrophobicContact SD-CG2 4.15Å; V122-N124 PolarHBondContact O-N 3.23Å; V122-I151 WeakPolarHBondContact CA-O 3.38Å; V122-I151 HydrophobicContact CG2-CG2 4.16Å; V122-T153 HydrophobicContact CG1-CG2 3.78Å; V122-T153 VanDerWaalsContact CG1-OG1 3.23Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.4Å |
| 123 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 99.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I151 E152 T153 | G123-I151 PolarHBondContact N-O 2.92Å; G123-E152 CarbonylContact O-C 3.58Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; G123-T153 PolarHBondContact O-N 3.37Å |
| 124 | N | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 165.3 | -178 | -170.2 | 33.3 | 0 | 0 | 0 | 112.3 | V22 L27 V90 Y91 I93 V122 T153 A155 | V22-N124 PolarHBondContact O-ND2 3.16Å; L27-N124 HydrophobicContact CD1-CB 4.29Å; V90-N124 HydrophobicContact CG1-CB 3.74Å; Y91-N124 PolarHBondContact O-N 2.72Å; I93-N124 PolarHBondContact N-O 3.04Å; V122-N124 PolarHBondContact O-N 3.23Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 WeakPolarHBondContact CA-O 3.33Å; N124-T153 PolarHBondContact OD1-O 3.37Å; N124-T153 PolarHBondContact OD1-OG1 3.42Å; N124-A155 PolarHBondContact OD1-N 2.92Å |
| 125 | K | 98.2 | Very high | 97.6 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | trans | 68.2 | 40 | -177.4 | -47.8 | -170.3 | -165.8 | 166.7 | 0 | 113.4 | G21 V22 D92 I93 D127 L128 T153 | G21-K125 WeakPolarHBondContact O-CE 3.41Å; G21-K125 PolarHBondContact O-NZ 3.35Å; V22-K125 WeakPolarHBondContact O-CE 3.29Å; D92-K125 WeakPolarHBondContact OD2-CD 3.48Å; D92-K125 WeakPolarHBondContact OD2-CE 3.32Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.13Å; I93-K125 WeakPolarHBondContact CD1-O 3.28Å; I93-K125 VanDerWaalsContact CG1-O 3.3Å; I93-K125 WeakPolarHBondContact CG1-O 3.25Å; K125-D127 WeakPolarHBondContact CA-OD1 3.4Å; K125-D127 PolarHBondContact O-N 3.49Å; K125-L128 HydrophobicContact CB-CD1 4.01Å; K125-L128 HydrophobicContact CB-CG 4.2Å; K125-L128 HydrophobicContact CD-CD1 3.99Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 2.88Å; K125-T153 PolarHBondContact N-O 3.34Å | ||
| 126 | S | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -7.2 | 174.9 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | L128 R129 T153 S154 | S126-L128 VanDerWaalsContact C-N 3.3Å; S126-R129 WeakPolarHBondContact O-CG 3.34Å; S126-R129 PolarHBondContact O-NE 2.88Å; S126-R129 VanDerWaalsContact O-NE 3.12Å; S126-T153 WeakPolarHBondContact CB-O 3.46Å; S126-T153 PolarHBondContact N-O 3.35Å; S126-T153 VanDerWaalsContact OG-C 3.28Å; S126-T153 PolarHBondContact OG-O 3.22Å; S126-S154 VanDerWaalsContact OG-CB 3.32Å; S126-S154 WeakPolarHBondContact OG-CB 3.48Å; S126-S154 PolarHBondContact OG-N 3.39Å |
| 127 | D | 98.2 | Very high | 98.2 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -28.9 | 166.2 | 55.4 | -70.1 | 0 | 0 | 0 | 112.2 | K125 R129 S154 L156 | K125-D127 WeakPolarHBondContact CA-OD1 3.4Å; K125-D127 PolarHBondContact O-N 3.49Å; D127-R129 PolarHBondContact O-N 3.13Å; D127-S154 PolarHBondContact OD1-OG 3.36Å; D127-S154 VanDerWaalsContact OD1-OG 3.08Å; D127-L156 HydrophobicContact CB-CD2 4.04Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.37Å |
| 128 | L | 97.5 | Very high | 98.2 | Very high | 44 Ų | 44 | 47.3 Ų | 47.3 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | trans | -82.7 | 36 | 179 | -58 | -178.2 | 0 | 0 | 0 | 113.3 | A94 K125 S126 H130 L131 R132 | A94-L128 HydrophobicContact CB-CB 4.09Å; A94-L128 HydrophobicContact CB-CD1 3.93Å; K125-L128 HydrophobicContact CB-CD1 4.01Å; K125-L128 HydrophobicContact CB-CG 4.2Å; K125-L128 HydrophobicContact CD-CD1 3.99Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 2.88Å; S126-L128 VanDerWaalsContact C-N 3.3Å; L128-H130 PolarHBondContact O-N 2.9Å; L128-H130 VanDerWaalsContact O-N 3.09Å; L128-L131 HydrophobicContact CB-CB 4.46Å; L128-L131 HydrophobicContact CD2-CD1 4.48Å; L128-L131 CarbonylContact O-C 3.45Å; L128-L131 WeakPolarHBondContact O-CA 3.49Å; L128-L131 PolarHBondContact O-N 3Å; L128-R132 PolarHBondContact O-N 2.8Å | ||
| 129 | R | 96.2 | Very high | 98.3 | Very high | 164 Ų | 164 | 46.5 Ų | 46.5 | 62% | 0.619 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -53.1 | -37.1 | -175 | -55 | -172.6 | -177.9 | -136.9 | 0.8 | 113.6 | S126 D127 L131 R132 | S126-R129 WeakPolarHBondContact O-CG 3.34Å; S126-R129 PolarHBondContact O-NE 2.88Å; S126-R129 VanDerWaalsContact O-NE 3.12Å; D127-R129 PolarHBondContact O-N 3.13Å; R129-L131 PolarHBondContact O-N 3.49Å; R129-R132 VanDerWaalsContact O-CB 3.31Å; R129-R132 WeakPolarHBondContact O-CB 3.42Å; R129-R132 PolarHBondContact O-N 3.27Å |
| 130 | H | 97.4 | Very high | 98.3 | Very high | 151 Ų | 151 | 50.4 Ų | 50.4 | 70% | 0.699 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -70.7 | -16.5 | 179.6 | 63.4 | -76.4 | 0 | 0 | 0 | 113.7 | L128 | L128-H130 PolarHBondContact O-N 2.9Å; L128-H130 VanDerWaalsContact O-N 3.09Å |
| 131 | L | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 52.8 Ų | 52.8 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -109 | 11.8 | 175.8 | -57.6 | 177.3 | 0 | 0 | 0 | 112.2 | A94 L128 R129 A133 | A94-L131 VanDerWaalsContact CA-O 3.31Å; A94-L131 WeakPolarHBondContact CA-O 3.1Å; A94-L131 HydrophobicContact CB-CB 3.96Å; A94-L131 WeakPolarHBondContact CB-O 3.23Å; L128-L131 HydrophobicContact CB-CB 4.46Å; L128-L131 HydrophobicContact CD2-CD1 4.48Å; L128-L131 CarbonylContact O-C 3.45Å; L128-L131 WeakPolarHBondContact O-CA 3.49Å; L128-L131 PolarHBondContact O-N 3Å; R129-L131 PolarHBondContact O-N 3.49Å; L131-A133 PolarHBondContact O-N 2.79Å; L131-A133 VanDerWaalsContact O-N 3.1Å |
| 132 | R | 98.6 | Very high | 98.2 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | trans | -55.9 | 120.1 | -176.9 | 177.3 | 176.6 | -70.1 | -88 | 7.4 | 110.4 | I93 L128 R129 V134 T136 E152 | I93-R132 HydrophobicContact CD1-CB 4.47Å; L128-R132 PolarHBondContact O-N 2.8Å; R129-R132 VanDerWaalsContact O-CB 3.31Å; R129-R132 WeakPolarHBondContact O-CB 3.42Å; R129-R132 PolarHBondContact O-N 3.27Å; R132-V134 WeakPolarHBondContact CD-O 3.48Å; R132-V134 WeakPolarHBondContact CG-O 3.48Å; R132-V134 PolarHBondContact NH1-O 3.19Å; R132-T136 PolarHBondContact NH1-OG1 3.09Å; R132-T136 VanDerWaalsContact NH1-OG1 3.16Å; R132-E152 IonicContact CZ-OE1 3.14Å; R132-E152 IonicContact CZ-OE2 3.86Å; R132-E152 IonicContact NH1-OE1 2.69Å; R132-E152 PolarHBondContact NH1-OE1 3.37Å; R132-E152 IonicContact NH1-OE2 2.69Å; R132-E152 VanDerWaalsContact NH2-CD 3.27Å; R132-E152 IonicContact NH2-OE1 3.89Å; R132-E152 PolarHBondContact NH2-OE1 2.85Å; R132-E152 VanDerWaalsContact NH2-OE1 3.14Å; R132-E152 IonicContact NH2-OE2 2.71Å; R132-E152 PolarHBondContact NH2-OE2 2.81Å | ||
| 133 | A | 98.3 | Very high | 98.2 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 35% | 0.347 | 27% | 0.272 | S | S | . | . | trans | -105.1 | -17.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I93 H96 L131 | I93-A133 PolarHBondContact O-N 2.84Å; H96-A133 HydrophobicContact CB-CB 4.15Å; L131-A133 PolarHBondContact O-N 2.79Å; L131-A133 VanDerWaalsContact O-N 3.1Å | ||
| 134 | V | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -115.5 | 112 | 179.8 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | Y91 I93 Y99 R132 T136 A139 | Y91-V134 HydrophobicContact CD2-CG2 4.34Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.8Å; Y91-V134 HydrophobicContact CE2-CG2 4.09Å; I93-V134 PolarHBondContact O-N 2.71Å; I93-V134 VanDerWaalsContact O-N 3.12Å; Y99-V134 HydrophobicContact CD1-CG1 3.94Å; Y99-V134 HydrophobicContact CD1-CG2 4.36Å; Y99-V134 HydrophobicContact CD2-CG1 3.89Å; Y99-V134 HydrophobicContact CE1-CG1 4.31Å; Y99-V134 HydrophobicContact CE2-CG1 4.27Å; Y99-V134 HydrophobicContact CG-CG1 3.71Å; Y99-V134 HydrophobicContact CG-CG2 4.03Å; R132-V134 WeakPolarHBondContact CD-O 3.48Å; R132-V134 WeakPolarHBondContact CG-O 3.48Å; R132-V134 PolarHBondContact NH1-O 3.19Å; V134-T136 PolarHBondContact O-N 3.33Å; V134-A139 HydrophobicContact CG1-CB 4.32Å |
| 135 | P | 98.1 | Very high | 98.2 | Very high | 68 Ų | 68 | 69 Ų | 69 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | trans | -58.4 | 135.1 | 172.5 | -22.9 | 33.5 | 0 | 0 | 0 | 111.6 | D137 E138 A139 | P135-D137 PolarHBondContact O-N 3.26Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.42Å; P135-E138 WeakPolarHBondContact O-CB 3.19Å; P135-E138 PolarHBondContact O-N 3.3Å; P135-A139 PolarHBondContact O-N 3.37Å | ||
| 136 | T | 98.4 | Very high | 98.2 | Very high | 32 Ų | 32 | 68.7 Ų | 68.7 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.8 | -37.2 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | R132 V134 E138 A139 R140 F150 E152 | R132-T136 PolarHBondContact NH1-OG1 3.09Å; R132-T136 VanDerWaalsContact NH1-OG1 3.16Å; V134-T136 PolarHBondContact O-N 3.33Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.39Å; T136-A139 PolarHBondContact O-N 3.23Å; T136-R140 VanDerWaalsContact CG2-NH2 3.35Å; T136-R140 WeakPolarHBondContact O-CB 3.43Å; T136-R140 PolarHBondContact O-N 2.73Å; T136-F150 HydrophobicContact CG2-CE1 3.76Å; T136-F150 HydrophobicContact CG2-CZ 4.07Å; T136-E152 WeakPolarHBondContact CB-OE1 3.41Å; T136-E152 HydrophobicContact CG2-CG 4.45Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.37Å; T136-E152 PolarHBondContact OG1-OE1 3.42Å |
| 137 | D | 98.3 | Very high | 98.1 | Very high | 116 Ų | 116 | 71.8 Ų | 71.8 | 62% | 0.62 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.4 | -33 | -179.4 | -63.8 | -18.2 | 0 | 0 | 0 | 112.4 | P135 R140 A141 | P135-D137 PolarHBondContact O-N 3.26Å; D137-R140 IonicContact OD1-CZ 3.8Å; D137-R140 IonicContact OD1-NH1 3.32Å; D137-R140 PolarHBondContact OD1-NH1 2.86Å; D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 2.78Å |
| 138 | E | 98.2 | Very high | 98.1 | Very high | 80 Ų | 80 | 70.4 Ų | 70.4 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -49.4 | 175.4 | -171.7 | -175 | 154.1 | 0 | 0 | 110.9 | Y99 P135 T136 R140 A141 F142 | Y99-E138 HydrophobicContact CE1-CG 4.27Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.21Å; Y99-E138 PolarHBondContact OH-O 2.94Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.42Å; P135-E138 WeakPolarHBondContact O-CB 3.19Å; P135-E138 PolarHBondContact O-N 3.3Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.39Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.36Å; E138-A141 PolarHBondContact O-N 3.24Å; E138-F142 PolarHBondContact O-N 3.12Å |
| 139 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y91 Y99 L121 V134 P135 T136 F142 A143 F150 | Y91-A139 HydrophobicContact CE1-CB 4.23Å; Y91-A139 WeakPolarHBondContact OH-CB 3.3Å; Y99-A139 HydrophobicContact CD2-CB 4.48Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; L121-A139 HydrophobicContact CD2-CB 4.19Å; L121-A139 WeakPolarHBondContact CD2-O 3.42Å; V134-A139 HydrophobicContact CG1-CB 4.32Å; P135-A139 PolarHBondContact O-N 3.37Å; T136-A139 PolarHBondContact O-N 3.23Å; A139-F142 PolarHBondContact O-N 2.95Å; A139-A143 PolarHBondContact O-N 3.1Å; A139-F150 HydrophobicContact CB-CE2 3.75Å; A139-F150 HydrophobicContact CB-CZ 3.88Å |
| 140 | R | 98.6 | Very high | 98.3 | Very high | 93 Ų | 93 | 64 Ų | 64 | 35% | 0.351 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 174.5 | -171.1 | -178.7 | -58.8 | 101.4 | -1.2 | 111.5 | T136 D137 E138 F142 A143 E144 F150 | T136-R140 VanDerWaalsContact CG2-NH2 3.35Å; T136-R140 WeakPolarHBondContact O-CB 3.43Å; T136-R140 PolarHBondContact O-N 2.73Å; D137-R140 IonicContact OD1-CZ 3.8Å; D137-R140 IonicContact OD1-NH1 3.32Å; D137-R140 PolarHBondContact OD1-NH1 2.86Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.36Å; R140-F142 VanDerWaalsContact C-N 3.28Å; R140-F142 PolarHBondContact O-N 3.17Å; R140-A143 WeakPolarHBondContact O-CB 3.04Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.13Å; R140-E144 WeakPolarHBondContact O-CG 3.46Å; R140-E144 PolarHBondContact O-N 2.89Å; R140-F150 HydrophobicContact CB-CD1 3.83Å; R140-F150 HydrophobicContact CB-CE1 4.01Å; R140-F150 HydrophobicContact CG-CD1 4.04Å |
| 141 | A | 98.6 | Very high | 98.4 | Very high | 53 Ų | 53 | 58.1 Ų | 58.1 | 44% | 0.438 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | D137 E138 K145 | D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 2.78Å; E138-A141 PolarHBondContact O-N 3.24Å; A141-K145 VanDerWaalsContact O-CB 3.23Å; A141-K145 WeakPolarHBondContact O-CB 3.36Å; A141-K145 PolarHBondContact O-N 2.91Å |
| 142 | F | 98.7 | Very high | 98.4 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 172.7 | 174.9 | -84 | 0 | 0 | 0 | 112.1 | Y99 V102 E103 L106 L121 E138 A139 R140 K145 N146 L148 | Y99-F142 WeakPolarHBondContact OH-CB 3.36Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.73Å; E103-F142 HydrophobicContact CB-CE2 4.42Å; L106-F142 HydrophobicContact CD2-CE1 4.22Å; L106-F142 HydrophobicContact CD2-CZ 3.95Å; L121-F142 HydrophobicContact CD2-CD1 3.96Å; E138-F142 PolarHBondContact O-N 3.12Å; A139-F142 PolarHBondContact O-N 2.95Å; R140-F142 VanDerWaalsContact C-N 3.28Å; R140-F142 PolarHBondContact O-N 3.17Å; F142-K145 PolarHBondContact O-N 2.91Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.23Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.29Å; F142-N146 WeakPolarHBondContact O-CB 3.48Å; F142-N146 PolarHBondContact O-N 3.26Å; F142-N146 VanDerWaalsContact O-N 3.1Å; F142-N146 PolarHBondContact O-ND2 3.12Å; F142-L148 HydrophobicContact CE1-CD1 4.01Å |
| 143 | A | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L121 A139 R140 K145 N146 G147 L148 F150 | L121-A143 HydrophobicContact CB-CB 4.24Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; A139-A143 PolarHBondContact O-N 3.1Å; R140-A143 WeakPolarHBondContact O-CB 3.04Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.13Å; A143-K145 PolarHBondContact O-N 3.44Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 2.95Å; A143-N146 VanDerWaalsContact O-N 3.12Å; A143-G147 PolarHBondContact O-N 2.89Å; A143-L148 HydrophobicContact CB-CB 4.11Å; A143-L148 PolarHBondContact O-N 3.23Å; A143-F150 HydrophobicContact CB-CB 3.71Å; A143-F150 HydrophobicContact CB-CG 4.4Å |
| 144 | E | 98.3 | Very high | 98.4 | Very high | 134 Ų | 134 | 49.4 Ų | 49.4 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.4 | -49.1 | 176.4 | -72 | 172.9 | -171.4 | 0 | 0 | 111.7 | R140 N146 G147 | R140-E144 WeakPolarHBondContact O-CG 3.46Å; R140-E144 PolarHBondContact O-N 2.89Å; E144-N146 PolarHBondContact O-N 3.28Å; E144-N146 VanDerWaalsContact O-N 3.17Å; E144-G147 PolarHBondContact O-N 2.88Å; E144-G147 VanDerWaalsContact O-N 3.12Å |
| 145 | K | 98.4 | Very high | 98.4 | Very high | 179 Ų | 179 | 49.5 Ų | 49.5 | 78% | 0.778 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -56.3 | -33.1 | 176.9 | 179.5 | -176.7 | 174.6 | -171.4 | 0 | 112.5 | A141 F142 A143 | A141-K145 VanDerWaalsContact O-CB 3.23Å; A141-K145 WeakPolarHBondContact O-CB 3.36Å; A141-K145 PolarHBondContact O-N 2.91Å; F142-K145 PolarHBondContact O-N 2.91Å; A143-K145 PolarHBondContact O-N 3.44Å |
| 146 | N | 98 | Very high | 98.4 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 20% | 0.198 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -99 | 2.2 | -177.4 | -76.2 | -79.3 | 0 | 0 | 0 | 113.9 | L106 R110 F142 A143 E144 L148 | L106-N146 HydrophobicContact CD2-CB 3.98Å; R110-N146 PolarHBondContact NH1-OD1 2.71Å; R110-N146 PolarHBondContact NH2-O 2.83Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.23Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.29Å; F142-N146 WeakPolarHBondContact O-CB 3.48Å; F142-N146 PolarHBondContact O-N 3.26Å; F142-N146 VanDerWaalsContact O-N 3.1Å; F142-N146 PolarHBondContact O-ND2 3.12Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 2.95Å; A143-N146 VanDerWaalsContact O-N 3.12Å; E144-N146 PolarHBondContact O-N 3.28Å; E144-N146 VanDerWaalsContact O-N 3.17Å; N146-L148 HydrophobicContact CB-CD1 4.01Å; N146-L148 HydrophobicContact CB-CD2 4.18Å; N146-L148 HydrophobicContact CB-CG 3.77Å; N146-L148 WeakPolarHBondContact O-CD2 3.4Å |
| 147 | G | 97.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 71% | 0.711 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 36.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A143 E144 | A143-G147 PolarHBondContact O-N 2.89Å; E144-G147 PolarHBondContact O-N 2.88Å; E144-G147 VanDerWaalsContact O-N 3.12Å |
| 148 | L | 98.4 | Very high | 98.3 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | trans | -106.3 | 146.5 | 178 | -37.8 | 177.7 | 0 | 0 | 0 | 109.6 | L106 I119 L121 F142 A143 N146 | L106-L148 HydrophobicContact CD1-CD1 4.32Å; L106-L148 HydrophobicContact CD1-CD2 4.02Å; L106-L148 HydrophobicContact CD2-CD1 4.14Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.22Å; I119-L148 HydrophobicContact CG2-CD1 4.46Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-L148 WeakPolarHBondContact O-CA 3.39Å; L121-L148 HydrophobicContact CB-CD1 4.32Å; F142-L148 HydrophobicContact CE1-CD1 4.01Å; A143-L148 HydrophobicContact CB-CB 4.11Å; A143-L148 PolarHBondContact O-N 3.23Å; N146-L148 HydrophobicContact CB-CD1 4.01Å; N146-L148 HydrophobicContact CB-CD2 4.18Å; N146-L148 HydrophobicContact CB-CG 3.77Å; N146-L148 WeakPolarHBondContact O-CD2 3.4Å | ||
| 149 | S | 98.4 | Very high | 98.3 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 156.1 | 162.4 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | I119 M120 L121 E171 | I119-S149 PolarHBondContact O-N 2.97Å; M120-S149 CarbonylContact C-O 3.37Å; M120-S149 WeakPolarHBondContact CA-O 3.31Å; M120-S149 VanDerWaalsContact CB-OG 3.32Å; M120-S149 WeakPolarHBondContact CB-OG 3.33Å; M120-S149 WeakPolarHBondContact CE-OG 3.47Å; L121-S149 PolarHBondContact N-O 2.88Å; S149-E171 PolarHBondContact OG-OE2 2.86Å |
| 150 | F | 98.7 | Very high | 98.3 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 20% | 0.197 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 136.3 | -176.9 | 173.8 | -112.1 | 0 | 0 | 0 | 112.2 | Y91 L121 T136 A139 R140 A143 E152 | Y91-F150 HydrophobicContact CE1-CE2 4.35Å; L121-F150 HydrophobicContact CB-CD2 4.08Å; L121-F150 HydrophobicContact CD2-CD2 3.82Å; L121-F150 HydrophobicContact CD2-CE2 4.17Å; L121-F150 HydrophobicContact CG-CD2 3.97Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.23Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; T136-F150 HydrophobicContact CG2-CE1 3.76Å; T136-F150 HydrophobicContact CG2-CZ 4.07Å; A139-F150 HydrophobicContact CB-CE2 3.75Å; A139-F150 HydrophobicContact CB-CZ 3.88Å; R140-F150 HydrophobicContact CB-CD1 3.83Å; R140-F150 HydrophobicContact CB-CE1 4.01Å; R140-F150 HydrophobicContact CG-CD1 4.04Å; A143-F150 HydrophobicContact CB-CB 3.71Å; A143-F150 HydrophobicContact CB-CG 4.4Å; F150-E152 HydrophobicContact CE1-CG 4.3Å; F150-E152 HydrophobicContact CE2-CG 4.35Å; F150-E152 HydrophobicContact CZ-CG 3.67Å |
| 151 | I | 98.8 | Very high | 98.3 | Very high | 28 Ų | 28 | 47 Ų | 47 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 147.8 | 173.2 | -165 | 166.5 | 0 | 0 | 0 | 110.8 | M120 L121 V122 G123 T153 N160 A163 A164 | M120-I151 HydrophobicContact CG-CG2 4.22Å; M120-I151 HydrophobicContact SD-CB 4.44Å; M120-I151 HydrophobicContact SD-CG2 3.48Å; M120-I151 WeakPolarHBondContact SD-CG2 3.16Å; L121-I151 PolarHBondContact O-N 3.4Å; L121-I151 VanDerWaalsContact O-N 3.12Å; V122-I151 WeakPolarHBondContact CA-O 3.38Å; V122-I151 HydrophobicContact CG2-CG2 4.16Å; G123-I151 PolarHBondContact N-O 2.92Å; I151-T153 HydrophobicContact CG2-CG2 4.21Å; I151-N160 HydrophobicContact CD1-CB 3.78Å; I151-N160 HydrophobicContact CG1-CB 4.05Å; I151-A163 HydrophobicContact CD1-CB 4.06Å; I151-A164 HydrophobicContact CD1-CB 4.37Å; I151-A164 HydrophobicContact CG2-CB 3.75Å |
| 152 | E | 98.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 48 Ų | 48 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 139.9 | 168 | -66.4 | -170.4 | 162.1 | 0 | 0 | 110.7 | G123 R132 T136 F150 N160 | G123-E152 CarbonylContact O-C 3.58Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; R132-E152 IonicContact CZ-OE1 3.14Å; R132-E152 IonicContact CZ-OE2 3.86Å; R132-E152 IonicContact NH1-OE1 2.69Å; R132-E152 PolarHBondContact NH1-OE1 3.37Å; R132-E152 IonicContact NH1-OE2 2.69Å; R132-E152 VanDerWaalsContact NH2-CD 3.27Å; R132-E152 IonicContact NH2-OE1 3.89Å; R132-E152 PolarHBondContact NH2-OE1 2.85Å; R132-E152 VanDerWaalsContact NH2-OE1 3.14Å; R132-E152 IonicContact NH2-OE2 2.71Å; R132-E152 PolarHBondContact NH2-OE2 2.81Å; T136-E152 WeakPolarHBondContact CB-OE1 3.41Å; T136-E152 HydrophobicContact CG2-CG 4.45Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.37Å; T136-E152 PolarHBondContact OG1-OE1 3.42Å; F150-E152 HydrophobicContact CE1-CG 4.3Å; F150-E152 HydrophobicContact CE2-CG 4.35Å; F150-E152 HydrophobicContact CZ-CG 3.67Å; E152-N160 WeakPolarHBondContact O-CB 3.23Å; E152-N160 PolarHBondContact O-ND2 3.12Å |
| 153 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -132.5 | 159.7 | -174.9 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | V122 G123 N124 K125 S126 I151 T159 N160 A164 | V122-T153 HydrophobicContact CG1-CG2 3.78Å; V122-T153 VanDerWaalsContact CG1-OG1 3.23Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.4Å; G123-T153 PolarHBondContact O-N 3.37Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 WeakPolarHBondContact CA-O 3.33Å; N124-T153 PolarHBondContact OD1-O 3.37Å; N124-T153 PolarHBondContact OD1-OG1 3.42Å; K125-T153 PolarHBondContact N-O 3.34Å; S126-T153 WeakPolarHBondContact CB-O 3.46Å; S126-T153 PolarHBondContact N-O 3.35Å; S126-T153 VanDerWaalsContact OG-C 3.28Å; S126-T153 PolarHBondContact OG-O 3.22Å; I151-T153 HydrophobicContact CG2-CG2 4.21Å; T153-T159 CarbonylContact C-O 3.59Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.35Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; T153-A164 HydrophobicContact CG2-CB 3.98Å | ||
| 154 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -133.4 | 110.7 | 165.1 | 163 | 0 | 0 | 0 | 0 | 108.5 | S126 D127 L156 D157 S158 T159 V161 | S126-S154 VanDerWaalsContact OG-CB 3.32Å; S126-S154 WeakPolarHBondContact OG-CB 3.48Å; S126-S154 PolarHBondContact OG-N 3.39Å; D127-S154 PolarHBondContact OD1-OG 3.36Å; D127-S154 VanDerWaalsContact OD1-OG 3.08Å; S154-L156 PolarHBondContact O-N 3.33Å; S154-L156 PolarHBondContact OG-N 3.27Å; S154-D157 WeakPolarHBondContact CB-OD1 3.48Å; S154-D157 PolarHBondContact OG-N 2.87Å; S154-D157 VanDerWaalsContact OG-N 3.16Å; S154-D157 PolarHBondContact OG-OD1 3.03Å; S154-D157 PolarHBondContact OG-OD2 3.41Å; S154-S158 CarbonylContact O-C 3.55Å; S154-S158 WeakPolarHBondContact O-CA 3.41Å; S154-S158 PolarHBondContact O-N 2.78Å; S154-T159 PolarHBondContact N-O 2.99Å; S154-T159 PolarHBondContact O-N 3.35Å; S154-V161 WeakPolarHBondContact O-CG2 3.43Å | ||
| 155 | A | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N26 L27 R30 F36 N124 | N26-A155 HydrophobicContact CB-CB 3.8Å; L27-A155 HydrophobicContact CD2-CB 3.99Å; L27-A155 HydrophobicContact CG-CB 4.27Å; R30-A155 PolarHBondContact NE-O 3.38Å; R30-A155 PolarHBondContact NH2-O 3.05Å; F36-A155 HydrophobicContact CD2-CB 4.01Å; F36-A155 WeakPolarHBondContact CD2-O 3.23Å; F36-A155 HydrophobicContact CE2-CB 4.15Å; N124-A155 PolarHBondContact OD1-N 2.92Å |
| 156 | L | 97.6 | Very high | 98.3 | Very high | 74 Ų | 74 | 36 Ų | 36 | 39% | 0.387 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -57.3 | -179.8 | 176.2 | 64.4 | 0 | 0 | 0 | 110.8 | R30 F36 D127 S154 | R30-L156 PolarHBondContact NH2-O 3.42Å; F36-L156 HydrophobicContact CD1-CD1 3.82Å; F36-L156 HydrophobicContact CE1-CB 4.49Å; F36-L156 HydrophobicContact CE1-CD1 3.38Å; F36-L156 HydrophobicContact CE2-CB 4.07Å; F36-L156 HydrophobicContact CE2-CD1 4.45Å; F36-L156 HydrophobicContact CZ-CB 4.03Å; F36-L156 HydrophobicContact CZ-CD1 3.74Å; F36-L156 HydrophobicContact CZ-CG 4.48Å; D127-L156 HydrophobicContact CB-CD2 4.04Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.37Å; S154-L156 PolarHBondContact O-N 3.33Å; S154-L156 PolarHBondContact OG-N 3.27Å |
| 157 | D | 97.2 | Very high | 98.3 | Very high | 75 Ų | 75 | 36.9 Ų | 36.9 | 40% | 0.401 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 5.5 | -176.1 | 65.3 | 32.3 | 0 | 0 | 0 | 113.8 | S154 T159 | S154-D157 WeakPolarHBondContact CB-OD1 3.48Å; S154-D157 PolarHBondContact OG-N 2.87Å; S154-D157 VanDerWaalsContact OG-N 3.16Å; S154-D157 PolarHBondContact OG-OD1 3.03Å; S154-D157 PolarHBondContact OG-OD2 3.41Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.25Å; D157-T159 PolarHBondContact OD1-N 3Å; D157-T159 PolarHBondContact OD1-OG1 3.39Å |
| 158 | S | 97.8 | Very high | 98.4 | Very high | 61 Ų | 61 | 33.6 Ų | 33.6 | 43% | 0.427 | 19% | 0.189 | S | C | . | . | trans | 69 | 5.7 | -178 | 74.8 | 0 | 0 | 0 | 0 | 116.7 | S154 N160 V161 | S154-S158 CarbonylContact O-C 3.55Å; S154-S158 WeakPolarHBondContact O-CA 3.41Å; S154-S158 PolarHBondContact O-N 2.78Å; S158-N160 PolarHBondContact O-N 2.82Å; S158-N160 VanDerWaalsContact O-N 3.17Å; S158-V161 PolarHBondContact O-N 2.96Å | ||
| 159 | T | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 33 Ų | 33 | 29% | 0.288 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 124.1 | 178.9 | -62.9 | 0 | 0 | 0 | 0 | 110.9 | T153 S154 D157 V161 | T153-T159 CarbonylContact C-O 3.59Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.35Å; S154-T159 PolarHBondContact N-O 2.99Å; S154-T159 PolarHBondContact O-N 3.35Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.25Å; D157-T159 PolarHBondContact OD1-N 3Å; D157-T159 PolarHBondContact OD1-OG1 3.39Å; T159-V161 PolarHBondContact O-N 3.29Å |
| 160 | N | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 40% | 0.401 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 8.6 | 175.6 | -66.3 | -23 | 0 | 0 | 0 | 116.3 | I151 E152 T153 S158 A163 A164 | I151-N160 HydrophobicContact CD1-CB 3.78Å; I151-N160 HydrophobicContact CG1-CB 4.05Å; E152-N160 WeakPolarHBondContact O-CB 3.23Å; E152-N160 PolarHBondContact O-ND2 3.12Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; S158-N160 PolarHBondContact O-N 2.82Å; S158-N160 VanDerWaalsContact O-N 3.17Å; N160-A163 HydrophobicContact CB-CB 4.47Å; N160-A163 PolarHBondContact O-N 3.15Å; N160-A164 WeakPolarHBondContact O-CB 3.47Å; N160-A164 PolarHBondContact O-N 2.99Å |
| 161 | V | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -52.9 | -179.4 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | L27 R30 F31 S154 S158 T159 A163 A164 F165 | L27-V161 HydrophobicContact CD2-CG1 4.29Å; L27-V161 HydrophobicContact CD2-CG2 3.82Å; R30-V161 HydrophobicContact CB-CG1 4.22Å; R30-V161 HydrophobicContact CG-CB 4.19Å; R30-V161 HydrophobicContact CG-CG1 3.94Å; R30-V161 HydrophobicContact CG-CG2 4.05Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; S154-V161 WeakPolarHBondContact O-CG2 3.43Å; S158-V161 PolarHBondContact O-N 2.96Å; T159-V161 PolarHBondContact O-N 3.29Å; V161-A163 VanDerWaalsContact C-N 3.3Å; V161-A163 PolarHBondContact O-N 2.96Å; V161-A164 PolarHBondContact O-N 2.73Å; V161-F165 HydrophobicContact CG1-CD2 4.25Å; V161-F165 HydrophobicContact CG1-CE2 4.2Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.08Å |
| 162 | E | 98.1 | Very high | 98.2 | Very high | 73 Ų | 73 | 32.5 Ų | 32.5 | 34% | 0.341 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.8 | -44 | 175.6 | -171.9 | 67.5 | -150.3 | 0 | 0 | 110.8 | R51 A164 F165 Q166 | R51-E162 IonicContact CZ-OE1 2.71Å; R51-E162 IonicContact CZ-OE2 2.73Å; R51-E162 IonicContact NH1-OE1 3.55Å; R51-E162 IonicContact NH1-OE2 2.91Å; R51-E162 PolarHBondContact NH1-OE2 2.94Å; R51-E162 IonicContact NH2-OE1 3.04Å; R51-E162 PolarHBondContact NH2-OE1 2.96Å; R51-E162 IonicContact NH2-OE2 3.33Å; R51-E162 PolarHBondContact NH2-OE2 2.92Å; E162-A164 PolarHBondContact O-N 3.19Å; E162-F165 PolarHBondContact O-N 3.45Å; E162-Q166 HydrophobicContact CG-CG 4Å; E162-Q166 VanDerWaalsContact O-CB 3.31Å; E162-Q166 WeakPolarHBondContact O-CB 3.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.15Å; E162-Q166 PolarHBondContact O-N 2.96Å; E162-Q166 PolarHBondContact OE1-NE2 3.44Å |
| 163 | A | 98.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 32% | 0.322 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | I151 N160 V161 F165 Q166 T167 | I151-A163 HydrophobicContact CD1-CB 4.06Å; N160-A163 HydrophobicContact CB-CB 4.47Å; N160-A163 PolarHBondContact O-N 3.15Å; V161-A163 VanDerWaalsContact C-N 3.3Å; V161-A163 PolarHBondContact O-N 2.96Å; A163-F165 PolarHBondContact O-N 3.39Å; A163-Q166 PolarHBondContact O-N 3.38Å; A163-T167 VanDerWaalsContact O-CB 3.25Å; A163-T167 WeakPolarHBondContact O-CB 3.12Å; A163-T167 PolarHBondContact O-N 2.96Å; A163-T167 PolarHBondContact O-OG1 2.92Å |
| 164 | A | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -49.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M120 I151 T153 N160 V161 E162 I168 | M120-A164 HydrophobicContact SD-CB 4.1Å; I151-A164 HydrophobicContact CD1-CB 4.37Å; I151-A164 HydrophobicContact CG2-CB 3.75Å; T153-A164 HydrophobicContact CG2-CB 3.98Å; N160-A164 WeakPolarHBondContact O-CB 3.47Å; N160-A164 PolarHBondContact O-N 2.99Å; V161-A164 PolarHBondContact O-N 2.73Å; E162-A164 PolarHBondContact O-N 3.19Å; A164-I168 WeakPolarHBondContact O-CG2 3.43Å; A164-I168 PolarHBondContact O-N 3.13Å; A164-I168 VanDerWaalsContact O-N 3.13Å |
| 165 | F | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.2 | -41.3 | 179.3 | -76.6 | -78.5 | 0 | 0 | 0 | 112.6 | L16 L27 F31 I64 L88 V161 E162 A163 I168 L169 | L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.04Å; L27-F165 HydrophobicContact CB-CE2 4.49Å; F31-F165 HydrophobicContact CB-CD2 3.61Å; F31-F165 HydrophobicContact CB-CE2 3.54Å; F31-F165 HydrophobicContact CB-CG 4.36Å; F31-F165 HydrophobicContact CB-CZ 4.23Å; F31-F165 HydrophobicContact CD1-CB 4.24Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.2Å; F31-F165 AromaticContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CZ 4.37Å; F31-F165 HydrophobicContact CD2-CB 3.69Å; F31-F165 AromaticContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CE2 4.36Å; F31-F165 AromaticContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CE1-CB 3.95Å; F31-F165 HydrophobicContact CE1-CD1 4.02Å; F31-F165 HydrophobicContact CE1-CD2 4.46Å; F31-F165 AromaticContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE2-CB 3.37Å; F31-F165 HydrophobicContact CE2-CD2 4.16Å; F31-F165 AromaticContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CG-CB 4.12Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.39Å; F31-F165 HydrophobicContact CG-CD2 3.39Å; F31-F165 AromaticContact CG-CE2 3.79Å; F31-F165 HydrophobicContact CG-CE2 3.79Å; F31-F165 AromaticContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CZ 4.39Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.45Å; F31-F165 AromaticContact CZ-CG 3.97Å; F31-F165 HydrophobicContact CZ-CG 3.97Å; I64-F165 HydrophobicContact CD1-CD1 3.82Å; I64-F165 HydrophobicContact CD1-CE1 3.63Å; I64-F165 HydrophobicContact CD1-CZ 4.47Å; I64-F165 HydrophobicContact CG1-CE1 4.31Å; I64-F165 HydrophobicContact CG2-CE1 4.05Å; L88-F165 HydrophobicContact CD1-CD1 4.02Å; L88-F165 HydrophobicContact CD1-CD2 4.5Å; L88-F165 HydrophobicContact CD1-CE1 3.58Å; L88-F165 HydrophobicContact CD1-CE2 4.11Å; L88-F165 HydrophobicContact CD1-CG 4.46Å; L88-F165 HydrophobicContact CD1-CZ 3.63Å; V161-F165 HydrophobicContact CG1-CD2 4.25Å; V161-F165 HydrophobicContact CG1-CE2 4.2Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.08Å; E162-F165 PolarHBondContact O-N 3.45Å; A163-F165 PolarHBondContact O-N 3.39Å; F165-I168 WeakPolarHBondContact O-CG2 3.32Å; F165-L169 VanDerWaalsContact O-CB 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.34Å; F165-L169 WeakPolarHBondContact O-CD1 3.41Å; F165-L169 WeakPolarHBondContact O-CG 3.17Å; F165-L169 PolarHBondContact O-N 2.96Å |
| 166 | Q | 98 | Very high | 97.6 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 23% | 0.234 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 176.2 | -71.6 | -68.6 | -18.6 | 0 | 0 | 111.6 | I53 E162 A163 T170 | I53-Q166 VanDerWaalsContact CD1-OE1 3.29Å; E162-Q166 HydrophobicContact CG-CG 4Å; E162-Q166 VanDerWaalsContact O-CB 3.31Å; E162-Q166 WeakPolarHBondContact O-CB 3.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.15Å; E162-Q166 PolarHBondContact O-N 2.96Å; E162-Q166 PolarHBondContact OE1-NE2 3.44Å; A163-Q166 PolarHBondContact O-N 3.38Å; Q166-T170 VanDerWaalsContact O-CB 3.23Å; Q166-T170 WeakPolarHBondContact O-CB 3.11Å; Q166-T170 PolarHBondContact O-N 3.48Å; Q166-T170 PolarHBondContact O-OG1 3.48Å |
| 167 | T | 98.3 | Very high | 97.4 | Very high | 57 Ų | 57 | 41.6 Ų | 41.6 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.8 | -51.7 | 180 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | M120 A163 L169 T170 E171 | M120-T167 HydrophobicContact CE-CG2 3.53Å; A163-T167 VanDerWaalsContact O-CB 3.25Å; A163-T167 WeakPolarHBondContact O-CB 3.12Å; A163-T167 PolarHBondContact O-N 2.96Å; A163-T167 PolarHBondContact O-OG1 2.92Å; T167-L169 PolarHBondContact O-N 3.37Å; T167-T170 PolarHBondContact O-N 3.16Å; T167-E171 HydrophobicContact CG2-CG 4.48Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.28Å; T167-E171 WeakPolarHBondContact O-CG 3.16Å; T167-E171 PolarHBondContact O-N 3.39Å |
| 168 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | -178.9 | -167.8 | 167.7 | 0 | 0 | 0 | 111.9 | A87 L88 V118 M120 A164 F165 T170 E171 I172 | A87-I168 VanDerWaalsContact O-CD1 3.31Å; A87-I168 WeakPolarHBondContact O-CD1 3.2Å; L88-I168 HydrophobicContact CD2-CB 4.3Å; L88-I168 HydrophobicContact CD2-CD1 3.64Å; L88-I168 HydrophobicContact CD2-CG2 4.05Å; L88-I168 HydrophobicContact CG-CD1 4.45Å; V118-I168 HydrophobicContact CG1-CG1 4.03Å; M120-I168 HydrophobicContact CB-CD1 4.1Å; M120-I168 HydrophobicContact CE-CB 4.06Å; A164-I168 WeakPolarHBondContact O-CG2 3.43Å; A164-I168 PolarHBondContact O-N 3.13Å; A164-I168 VanDerWaalsContact O-N 3.13Å; F165-I168 WeakPolarHBondContact O-CG2 3.32Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.42Å; I168-E171 PolarHBondContact O-N 2.89Å; I168-I172 HydrophobicContact CG1-CD1 4.03Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 3.35Å |
| 169 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.1 | -36 | 178.8 | -69 | 168.4 | 0 | 0 | 0 | 111.9 | F12 V14 I53 I60 A62 F165 T167 Y173 | F12-L169 HydrophobicContact CB-CD2 4.21Å; F12-L169 HydrophobicContact CD2-CD2 4.11Å; V14-L169 HydrophobicContact CG2-CD2 3.9Å; I53-L169 HydrophobicContact CD1-CB 3.64Å; I53-L169 HydrophobicContact CD1-CD1 3.44Å; I53-L169 VanDerWaalsContact CD1-CD1 3.44Å; I53-L169 HydrophobicContact CD1-CG 4.17Å; I53-L169 HydrophobicContact CG1-CD1 4.05Å; I60-L169 HydrophobicContact CG2-CD2 4.42Å; A62-L169 HydrophobicContact CB-CD1 3.72Å; A62-L169 HydrophobicContact CB-CD2 3.73Å; A62-L169 HydrophobicContact CB-CG 4.41Å; F165-L169 VanDerWaalsContact O-CB 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.34Å; F165-L169 WeakPolarHBondContact O-CD1 3.41Å; F165-L169 WeakPolarHBondContact O-CG 3.17Å; F165-L169 PolarHBondContact O-N 2.96Å; T167-L169 PolarHBondContact O-N 3.37Å; L169-Y173 WeakPolarHBondContact O-CB 3.42Å; L169-Y173 PolarHBondContact O-N 2.91Å |
| 170 | T | 97.9 | Very high | 96 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.9 | -41.3 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | V55 Q166 T167 I168 Y173 R174 | V55-T170 HydrophobicContact CG1-CG2 3.93Å; Q166-T170 VanDerWaalsContact O-CB 3.23Å; Q166-T170 WeakPolarHBondContact O-CB 3.11Å; Q166-T170 PolarHBondContact O-N 3.48Å; Q166-T170 PolarHBondContact O-OG1 3.48Å; T167-T170 PolarHBondContact O-N 3.16Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.42Å; T170-Y173 PolarHBondContact O-N 2.57Å; T170-R174 WeakPolarHBondContact O-CG 3.42Å; T170-R174 PolarHBondContact O-N 3.16Å |
| 171 | E | 97.6 | Very high | 95.3 | Very high | 62 Ų | 62 | 49.7 Ų | 49.7 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61 | -47.3 | 175.2 | -75.3 | 174.7 | -177.4 | 0 | 0 | 111.4 | V118 S149 T167 I168 Y173 R174 I175 | V118-E171 HydrophobicContact CG1-CB 3.97Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.48Å; S149-E171 PolarHBondContact OG-OE2 2.86Å; T167-E171 HydrophobicContact CG2-CG 4.48Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.28Å; T167-E171 WeakPolarHBondContact O-CG 3.16Å; T167-E171 PolarHBondContact O-N 3.39Å; I168-E171 PolarHBondContact O-N 2.89Å; E171-Y173 VanDerWaalsContact C-N 3.35Å; E171-Y173 PolarHBondContact O-N 2.97Å; E171-R174 PolarHBondContact O-N 2.92Å; E171-I175 WeakPolarHBondContact O-CG1 3.17Å; E171-I175 PolarHBondContact O-N 2.94Å |
| 172 | I | 97.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.8 | -48 | 175.1 | -64.5 | 160.2 | 0 | 0 | 0 | 110.4 | F12 V14 V85 V118 I168 R174 I175 V176 | F12-I172 HydrophobicContact CD1-CG2 4.02Å; F12-I172 HydrophobicContact CD2-CB 4.14Å; F12-I172 HydrophobicContact CD2-CG2 3.66Å; F12-I172 HydrophobicContact CE1-CG2 4.02Å; F12-I172 HydrophobicContact CE2-CB 4.1Å; F12-I172 HydrophobicContact CE2-CG2 3.64Å; F12-I172 HydrophobicContact CG-CG2 3.88Å; F12-I172 HydrophobicContact CZ-CG2 3.85Å; V14-I172 HydrophobicContact CG2-CD1 4.11Å; V85-I172 HydrophobicContact CB-CG2 4.07Å; V85-I172 HydrophobicContact CG2-CD1 4.3Å; V85-I172 HydrophobicContact CG2-CG2 3.81Å; V118-I172 HydrophobicContact CB-CG1 3.73Å; V118-I172 HydrophobicContact CG1-CG1 4.36Å; V118-I172 HydrophobicContact CG2-CB 4.47Å; V118-I172 HydrophobicContact CG2-CG1 3.67Å; I168-I172 HydrophobicContact CG1-CD1 4.03Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 3.35Å; I172-R174 VanDerWaalsContact C-N 3.31Å; I172-R174 PolarHBondContact O-N 3.18Å; I172-I175 PolarHBondContact O-N 3.17Å; I172-V176 HydrophobicContact CG2-CG2 4.11Å; I172-V176 WeakPolarHBondContact O-CB 3.44Å; I172-V176 WeakPolarHBondContact O-CG2 3.31Å; I172-V176 PolarHBondContact O-N 2.82Å |
| 173 | Y | 97.5 | Very high | 93.8 | Very high | 23 Ų | 23 | 51.9 Ų | 51.9 | 9% | 0.09 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 179 | 169.9 | -109.1 | 0 | 0 | 0 | 112.4 | Y10 V55 D56 K58 I60 L169 T170 E171 I175 V176 S177 | Y10-Y173 AromaticContact CD2-CD2 3.98Å; Y10-Y173 HydrophobicContact CD2-CD2 3.98Å; Y10-Y173 AromaticContact CD2-CE2 3.96Å; Y10-Y173 HydrophobicContact CD2-CE2 3.96Å; Y10-Y173 AromaticContact CE2-CD2 3.85Å; Y10-Y173 HydrophobicContact CE2-CD2 3.85Å; Y10-Y173 AromaticContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CE2-CE2 3.41Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CG-CD2 4.44Å; Y10-Y173 AromaticContact CZ-CE2 3.76Å; V55-Y173 HydrophobicContact CB-CD1 4.48Å; V55-Y173 HydrophobicContact CG1-CD1 3.61Å; V55-Y173 HydrophobicContact CG1-CE1 4.14Å; V55-Y173 HydrophobicContact CG1-CG 4.22Å; D56-Y173 HydrophobicContact CB-CE1 3.8Å; D56-Y173 WeakPolarHBondContact OD2-CE1 3.39Å; K58-Y173 HydrophobicContact CB-CE2 4.22Å; K58-Y173 HydrophobicContact CG-CE2 4.04Å; K58-Y173 WeakPolarHBondContact CG-OH 3.32Å; I60-Y173 HydrophobicContact CD1-CD2 4.29Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å; L169-Y173 WeakPolarHBondContact O-CB 3.42Å; L169-Y173 PolarHBondContact O-N 2.91Å; T170-Y173 PolarHBondContact O-N 2.57Å; E171-Y173 VanDerWaalsContact C-N 3.35Å; E171-Y173 PolarHBondContact O-N 2.97Å; Y173-I175 PolarHBondContact O-N 3.08Å; Y173-V176 PolarHBondContact O-N 2.73Å; Y173-S177 WeakPolarHBondContact O-CB 3.07Å; Y173-S177 PolarHBondContact O-N 2.95Å; Y173-S177 PolarHBondContact O-OG 3.49Å |
| 174 | R | 96 | Very high | 92.9 | Very high | 135 Ų | 135 | 58.3 Ų | 58.3 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 178.8 | -74.2 | 173.3 | 179.7 | 173.9 | 2.6 | 111.8 | T170 E171 I172 S177 Q178 | T170-R174 WeakPolarHBondContact O-CG 3.42Å; T170-R174 PolarHBondContact O-N 3.16Å; E171-R174 PolarHBondContact O-N 2.92Å; I172-R174 VanDerWaalsContact C-N 3.31Å; I172-R174 PolarHBondContact O-N 3.18Å; R174-S177 PolarHBondContact O-OG 2.81Å; R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.33Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3Å; R174-Q178 VanDerWaalsContact O-N 3.1Å |
| 175 | I | 94.5 | Very high | 91.8 | Very high | 85 Ų | 85 | 66.9 Ų | 66.9 | 44% | 0.436 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66 | -47 | 177.8 | -65.6 | 168.1 | 0 | 0 | 0 | 110.9 | V118 E171 I172 Y173 K179 | V118-I175 HydrophobicContact CG2-CD1 3.48Å; V118-I175 VanDerWaalsContact CG2-CD1 3.48Å; E171-I175 WeakPolarHBondContact O-CG1 3.17Å; E171-I175 PolarHBondContact O-N 2.94Å; I172-I175 PolarHBondContact O-N 3.17Å; Y173-I175 PolarHBondContact O-N 3.08Å; I175-K179 PolarHBondContact O-N 2.91Å; I175-K179 VanDerWaalsContact O-N 3.17Å |
| 176 | V | 93.4 | Very high | 90.6 | Very high | 42 Ų | 42 | 73.3 Ų | 73.3 | 26% | 0.255 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | -177.6 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | Y10 F12 I172 Y173 K179 Q180 | Y10-V176 HydrophobicContact CD1-CG1 4.11Å; Y10-V176 HydrophobicContact CE1-CG1 3.93Å; F12-V176 HydrophobicContact CE1-CB 4.46Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.18Å; F12-V176 HydrophobicContact CZ-CB 4.41Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å; I172-V176 HydrophobicContact CG2-CG2 4.11Å; I172-V176 WeakPolarHBondContact O-CB 3.44Å; I172-V176 WeakPolarHBondContact O-CG2 3.31Å; I172-V176 PolarHBondContact O-N 2.82Å; Y173-V176 PolarHBondContact O-N 2.73Å; V176-K179 PolarHBondContact O-N 3.01Å; V176-Q180 WeakPolarHBondContact O-CG 3.3Å; V176-Q180 PolarHBondContact O-N 2.71Å |
| 177 | S | 92.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 76.6 Ų | 76.6 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.6 | -39.1 | -179.6 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | Y173 R174 Q180 M181 | Y173-S177 WeakPolarHBondContact O-CB 3.07Å; Y173-S177 PolarHBondContact O-N 2.95Å; Y173-S177 PolarHBondContact O-OG 3.49Å; R174-S177 PolarHBondContact O-OG 2.81Å; S177-Q180 PolarHBondContact O-N 2.72Å; S177-M181 WeakPolarHBondContact O-CE 2.9Å; S177-M181 WeakPolarHBondContact O-CG 3.31Å; S177-M181 PolarHBondContact O-N 2.94Å; S177-M181 VanDerWaalsContact O-N 3.08Å |
| 178 | Q | 90.8 | Very high | 88 | Confident | 125 Ų | 125 | 80.9 Ų | 80.9 | 58% | 0.584 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 174 | -75 | 171.6 | 8.6 | 0 | 0 | 111.8 | R174 M181 S182 | R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.33Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3Å; R174-Q178 VanDerWaalsContact O-N 3.1Å; Q178-M181 PolarHBondContact O-N 3.44Å; Q178-S182 PolarHBondContact O-N 3.45Å |
| 179 | K | 88.8 | Confident | 86.1 | Confident | 119 Ų | 119 | 88.4 Ų | 88.4 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.9 | -171.3 | 176.7 | 179 | 180 | 0 | 112.5 | I175 V176 M181 S182 D183 | I175-K179 PolarHBondContact O-N 2.91Å; I175-K179 VanDerWaalsContact O-N 3.17Å; V176-K179 PolarHBondContact O-N 3.01Å; K179-M181 PolarHBondContact O-N 3.19Å; K179-S182 WeakPolarHBondContact CA-OG 3.42Å; K179-S182 PolarHBondContact O-N 3.29Å; K179-S182 PolarHBondContact O-OG 3.09Å; K179-D183 PolarHBondContact O-N 3.32Å |
| 180 | Q | 86.1 | Confident | 83.9 | Confident | 78 Ų | 78 | 92.1 Ų | 92.1 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 175.2 | -73.7 | -179.8 | -8.4 | 0 | 0 | 112.7 | Y10 V176 S177 R184 | Y10-Q180 PolarHBondContact OH-OE1 2.77Å; V176-Q180 WeakPolarHBondContact O-CG 3.3Å; V176-Q180 PolarHBondContact O-N 2.71Å; S177-Q180 PolarHBondContact O-N 2.72Å; Q180-R184 VanDerWaalsContact O-CG 3.31Å; Q180-R184 WeakPolarHBondContact O-CG 3.41Å; Q180-R184 PolarHBondContact O-N 3.48Å |
| 181 | M | 82.7 | Confident | 81.8 | Confident | 106 Ų | 106 | 96.6 Ų | 96.6 | 52% | 0.522 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73 | -37.3 | 176.1 | -74.2 | -172.8 | -95.6 | 0 | 0 | 112.8 | S177 Q178 K179 R185 | S177-M181 WeakPolarHBondContact O-CE 2.9Å; S177-M181 WeakPolarHBondContact O-CG 3.31Å; S177-M181 PolarHBondContact O-N 2.94Å; S177-M181 VanDerWaalsContact O-N 3.08Å; Q178-M181 PolarHBondContact O-N 3.44Å; K179-M181 PolarHBondContact O-N 3.19Å; M181-R185 WeakPolarHBondContact O-CG 3.47Å; M181-R185 PolarHBondContact O-N 3.15Å |
| 182 | S | 83.9 | Confident | 79.6 | Confident | 51 Ų | 51 | 98.5 Ų | 98.5 | 36% | 0.357 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 175.1 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | Q178 K179 R184 R185 E186 | Q178-S182 PolarHBondContact O-N 3.45Å; K179-S182 WeakPolarHBondContact CA-OG 3.42Å; K179-S182 PolarHBondContact O-N 3.29Å; K179-S182 PolarHBondContact O-OG 3.09Å; S182-R184 VanDerWaalsContact C-N 3.26Å; S182-R184 PolarHBondContact O-N 3.04Å; S182-R185 PolarHBondContact O-N 3.02Å; S182-R185 VanDerWaalsContact O-N 3.07Å; S182-E186 PolarHBondContact O-N 3.38Å; S182-E186 VanDerWaalsContact O-N 3.14Å |
| 183 | D | 82.9 | Confident | 77.1 | Confident | 71 Ų | 71 | 105.3 Ų | 105.3 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -33.6 | -176.5 | -62.6 | -5.9 | 0 | 0 | 0 | 111.7 | K179 N187 | K179-D183 PolarHBondContact O-N 3.32Å; D183-N187 PolarHBondContact O-N 2.92Å; D183-N187 PolarHBondContact O-ND2 3.12Å |
| 184 | R | 78.1 | Confident | 74.9 | Confident | 174 Ų | 174 | 111 Ų | 111 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.1 | -40.7 | 174.2 | -75.6 | 177.9 | -176.1 | -177.8 | 2.8 | 112.6 | Q180 S182 N187 D188 | Q180-R184 VanDerWaalsContact O-CG 3.31Å; Q180-R184 WeakPolarHBondContact O-CG 3.41Å; Q180-R184 PolarHBondContact O-N 3.48Å; S182-R184 VanDerWaalsContact C-N 3.26Å; S182-R184 PolarHBondContact O-N 3.04Å; R184-N187 PolarHBondContact O-N 3Å; R184-D188 PolarHBondContact O-N 3.09Å |
| 185 | R | 75.8 | Confident | 72.7 | Confident | 182 Ų | 182 | 109.9 Ų | 109.9 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.3 | -37.5 | 179.1 | -71.6 | 177.7 | -179.3 | -173.9 | 1.3 | 112.1 | M181 S182 M189 | M181-R185 WeakPolarHBondContact O-CG 3.47Å; M181-R185 PolarHBondContact O-N 3.15Å; S182-R185 PolarHBondContact O-N 3.02Å; S182-R185 VanDerWaalsContact O-N 3.07Å; R185-M189 WeakPolarHBondContact O-CB 3.33Å; R185-M189 WeakPolarHBondContact O-CG 3.31Å; R185-M189 PolarHBondContact O-N 2.86Å; R185-M189 VanDerWaalsContact O-N 3.14Å |
| 186 | E | 73.7 | Confident | 71.2 | Confident | 137 Ų | 137 | 111.2 Ų | 111.2 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.9 | -39.8 | 177 | -69.4 | -177.4 | 178.3 | 0 | 0 | 112 | S182 M189 S190 | S182-E186 PolarHBondContact O-N 3.38Å; S182-E186 VanDerWaalsContact O-N 3.14Å; E186-M189 PolarHBondContact O-N 3.31Å; E186-S190 PolarHBondContact O-N 3.14Å |
| 187 | N | 70.3 | Confident | 69.1 | Low | 119 Ų | 119 | 114.4 Ų | 114.4 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.8 | -39.9 | 175.8 | -74 | -31 | 0 | 0 | 0 | 112.5 | D183 R184 M189 S190 | D183-N187 PolarHBondContact O-N 2.92Å; D183-N187 PolarHBondContact O-ND2 3.12Å; R184-N187 PolarHBondContact O-N 3Å; N187-M189 VanDerWaalsContact C-N 3.25Å; N187-M189 PolarHBondContact O-N 2.89Å; N187-S190 PolarHBondContact O-N 3.03Å |
| 188 | D | 70.7 | Confident | 67.5 | Low | 147 Ų | 147 | 121.2 Ų | 121.2 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.7 | -22.2 | 175.8 | -75.5 | -18 | 0 | 0 | 0 | 112.9 | R184 | R184-D188 PolarHBondContact O-N 3.09Å |
| 189 | M | 59 | Low | 65.6 | Low | 158 Ų | 158 | 123.4 Ų | 123.4 | 78% | 0.778 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 5.7 | 177.9 | -72.3 | 177.8 | 81.5 | 0 | 0 | 114.2 | R185 E186 N187 P191 | R185-M189 WeakPolarHBondContact O-CB 3.33Å; R185-M189 WeakPolarHBondContact O-CG 3.31Å; R185-M189 PolarHBondContact O-N 2.86Å; R185-M189 VanDerWaalsContact O-N 3.14Å; E186-M189 PolarHBondContact O-N 3.31Å; N187-M189 VanDerWaalsContact C-N 3.25Å; N187-M189 PolarHBondContact O-N 2.89Å; M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.2Å |
| 190 | S | 51.8 | Low | 64.2 | Low | 79 Ų | 79 | 123.3 Ų | 123.3 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -65.8 | 115.7 | 170.7 | -68.2 | 0 | 0 | 0 | 0 | 109.7 | E186 N187 S192 | E186-S190 PolarHBondContact O-N 3.14Å; N187-S190 PolarHBondContact O-N 3.03Å; S190-S192 PolarHBondContact O-N 2.69Å |
| 191 | P | 53.9 | Low | 62.6 | Low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 67% | 0.667 | S | S | * | * | trans | -66.5 | 116.4 | -174.6 | 25.4 | -31.7 | 0 | 0 | 0 | 109.4 | M189 N193 | M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.2Å; P191-N193 PolarHBondContact O-N 3.1Å | ||
| 192 | S | 51.3 | Low | 61 | Low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | trans | -52.4 | 111.6 | 161.4 | -81 | 0 | 0 | 0 | 0 | 107.7 | S190 N194 | S190-S192 PolarHBondContact O-N 2.69Å; S192-N194 PolarHBondContact O-N 2.84Å | ||
| 193 | N | 46.4 | Very low | 59.4 | Low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 70% | 0.702 | S | S | * | * | trans | -66.4 | 78.9 | 175.8 | -134.9 | 5.8 | 0 | 0 | 0 | 107.7 | P191 V195 | P191-N193 PolarHBondContact O-N 3.1Å; N193-V195 PolarHBondContact O-N 3.12Å | ||
| 194 | N | 51.3 | Low | 57.7 | Low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | -73.5 | 62.4 | 167 | -80.3 | -16.8 | 0 | 0 | 0 | 108.6 | S192 V196 | S192-N194 PolarHBondContact O-N 2.84Å; N194-V196 VanDerWaalsContact C-N 3.26Å; N194-V196 PolarHBondContact O-N 2.95Å; N194-V196 VanDerWaalsContact O-N 3.16Å | ||
| 195 | V | 49.2 | Very low | 56 | Low | 110 Ų | 110 | 132.2 Ų | 132.2 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | trans | -81.3 | 86 | 161.3 | -176.2 | 0 | 0 | 0 | 0 | 105.8 | N193 P197 | N193-V195 PolarHBondContact O-N 3.12Å; V195-P197 WeakPolarHBondContact O-CD 3.38Å | ||
| 196 | V | 63.4 | Low | 54.5 | Low | 113 Ų | 113 | 130.5 Ų | 130.5 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | -74.6 | 121 | 163.9 | -177.5 | 0 | 0 | 0 | 0 | 106.5 | N194 I198 | N194-V196 VanDerWaalsContact C-N 3.26Å; N194-V196 PolarHBondContact O-N 2.95Å; N194-V196 VanDerWaalsContact O-N 3.16Å; V196-I198 PolarHBondContact O-N 3.5Å; V196-I198 VanDerWaalsContact O-N 3.09Å | ||
| 197 | P | 48.8 | Very low | 52.8 | Low | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | trans | -61.7 | 116 | 173.3 | -18.6 | 31.1 | 0 | 0 | 0 | 108.9 | V195 H199 | V195-P197 WeakPolarHBondContact O-CD 3.38Å; P197-H199 PolarHBondContact O-N 3.16Å | ||
| 198 | I | 58.4 | Low | 51.6 | Low | 155 Ų | 155 | 132.6 Ų | 132.6 | 80% | 0.795 | 75% | 0.749 | S | S | * | * | trans | -71.3 | 99 | 171 | -60.4 | 172 | 0 | 0 | 0 | 106.6 | V196 V200 | V196-I198 PolarHBondContact O-N 3.5Å; V196-I198 VanDerWaalsContact O-N 3.09Å; I198-V200 HydrophobicContact CG2-CG2 3.86Å; I198-V200 PolarHBondContact O-N 2.69Å | ||
| 199 | H | 51.3 | Low | 50.2 | Low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | -79.8 | 103.1 | 169 | -151.6 | -64.7 | 0 | 0 | 0 | 107.4 | P197 P201 | P197-H199 PolarHBondContact O-N 3.16Å; H199-P201 WeakPolarHBondContact O-CD 3.31Å | ||
| 200 | V | 59.4 | Low | 49.6 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | trans | -82.8 | 109 | 171.7 | -173.6 | 0 | 0 | 0 | 0 | 107.4 | I198 | I198-V200 HydrophobicContact CG2-CG2 3.86Å; I198-V200 PolarHBondContact O-N 2.69Å | ||
| 201 | P | 51.5 | Low | 49 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | trans | -69.5 | 143 | 171.7 | 27.8 | -31.6 | 0 | 0 | 0 | 109.9 | H199 T203 | H199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-T203 PolarHBondContact O-N 3.19Å | ||
| 202 | P | 49.5 | Very low | 48.2 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -62.9 | 125.1 | 178.6 | 23.6 | -30.5 | 0 | 0 | 0 | 110.2 | T204 | P202-T204 PolarHBondContact O-N 3.29Å; P202-T204 VanDerWaalsContact O-N 3.08Å | ||
| 203 | T | 51.1 | Low | 47.6 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -56.1 | 112.8 | 167.1 | 29.8 | 0 | 0 | 0 | 0 | 109 | P201 E205 | P201-T203 PolarHBondContact O-N 3.19Å; T203-E205 PolarHBondContact O-N 3.38Å | ||
| 204 | T | 47.7 | Very low | 47.3 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -61.8 | 104.9 | 171.7 | 48.1 | 0 | 0 | 0 | 0 | 108.7 | P202 N206 | P202-T204 PolarHBondContact O-N 3.29Å; P202-T204 VanDerWaalsContact O-N 3.08Å; T204-N206 PolarHBondContact O-N 3.28Å; T204-N206 VanDerWaalsContact O-N 3.09Å | ||
| 205 | E | 41.9 | Very low | 46.7 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -58.2 | 108.7 | 160.2 | -69.2 | -178.1 | 165.3 | 0 | 0 | 107.8 | T203 | T203-E205 PolarHBondContact O-N 3.38Š| ||
| 206 | N | 43.2 | Very low | 46.6 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -148.7 | 105.5 | 162 | -115.7 | -25.8 | 0 | 0 | 0 | 112 | T204 | T204-N206 PolarHBondContact O-N 3.28Å; T204-N206 VanDerWaalsContact O-N 3.09Å | ||
| 207 | K | 39.6 | Very low | 45.8 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | 103.2 | 150.2 | 156.2 | -61.9 | -175.4 | 173.9 | 179 | 0 | 117 | ||||
| 208 | P | 44.7 | Very low | 45.6 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | -135.9 | 162.7 | -58.5 | 34.3 | -16.6 | 0 | 0 | 0 | 112.7 | |||||
| 209 | K | 41.2 | Very low | 44.9 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 49.1 | 103 | 150.3 | -70.9 | -176.1 | 175.1 | -175.2 | 0 | 118.4 | ||||
| 210 | V | 45.5 | Very low | 44.5 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -125.1 | 114.9 | 139.1 | -174.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 211 | Q | 39.8 | Very low | 43.6 | Very low | 187 Ų | 187 | 149.3 Ų | 149.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -86.4 | 111.2 | -179.1 | -175.3 | 167.5 | -7.5 | 0 | 0 | 107.3 | ||||
| 212 | C | 36.4 | Very low | 43.1 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 72% | 0.716 | 82% | 0.823 | S | S | * | * | trans | -114.2 | 118 | 178 | -92.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 213 | C | 40.1 | Very low | 42.6 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 72% | 0.723 | 83% | 0.826 | S | S | * | * | trans | 61.2 | 107 | 138.6 | -54.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 214 | Q | 38.4 | Very low | 42 | Very low | 172 Ų | 172 | 156.7 Ų | 156.7 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | 30.7 | 123.9 | 117.7 | -66.2 | -179.8 | -27.9 | 0 | 0 | 118.7 | |||||
| 215 | N | 39.4 | Very low | 41.5 | Very low | 141 Ų | 141 | 158.8 Ų | 158.8 | 75% | 0.754 | 83% | 0.826 | S | S | * | * | -179.1 | 129 | 102.5 | -95.1 | -17.7 | 0 | 0 | 0 | 113.3 | |||||
| 216 | I | 47.7 | Very low | 41.4 | Very low | 236 Ų | 236 | 156.5 Ų | 156.5 | 100% | 1.21 | 82% | 0.823 | S | S | * | * | trans | 66 | 0 | 157.9 | -50.2 | 170.8 | 0 | 0 | 0 | 117.5 |
Retrieved 216 of 216 residues in 720.8 ms
(Link to these results)