| 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 | 36.8 | Very low | 68.3 | Low | 240 Ų | 240 | 114.3 Ų | 114.3 | 100% | 1.182 | 58% | 0.576 | S | S | * | * | 0 | 105.7 | 0 | -75.8 | 163.4 | 101.1 | 0 | 0 | 104.6 | E3 | M1-E3 PolarHBondContact O-N 3.5Š| |||
| 2 | L | 41.8 | Very low | 70.7 | Confident | 169 Ų | 169 | 104.8 Ų | 104.8 | 89% | 0.885 | 53% | 0.528 | S | S | * | . | trans | -66.1 | 115.4 | 169.1 | -72.8 | 157.6 | 0 | 0 | 0 | 104.1 | E4 | L2-E4 VanDerWaalsContact C-N 3.33Å; L2-E4 PolarHBondContact O-N 3.37Å | ||
| 3 | E | 52 | Low | 72.6 | Confident | 173 Ų | 173 | 96.7 Ų | 96.7 | 81% | 0.808 | 49% | 0.487 | S | S | * | . | trans | -52.8 | 111.8 | 158.1 | -71 | 176.3 | 169.5 | 0 | 0 | 103.9 | M1 D5 | M1-E3 PolarHBondContact O-N 3.5Å; E3-D5 VanDerWaalsContact C-N 3.3Å; E3-D5 PolarHBondContact O-N 3.45Å | ||
| 4 | E | 53.5 | Low | 74.2 | Confident | 177 Ų | 177 | 89.8 Ų | 89.8 | 83% | 0.827 | 45% | 0.453 | S | S | * | . | trans | -59.2 | 106.4 | 169.6 | -73 | -179.6 | 168.6 | 0 | 0 | 104.3 | L2 M6 | L2-E4 VanDerWaalsContact C-N 3.33Å; L2-E4 PolarHBondContact O-N 3.37Å; E4-M6 PolarHBondContact O-N 3.34Å | ||
| 5 | D | 57.2 | Low | 75.6 | Confident | 156 Ų | 156 | 83.8 Ų | 83.8 | 83% | 0.834 | 42% | 0.422 | S | S | * | . | trans | -52.1 | 95.3 | 175.4 | -70.8 | -49 | 0 | 0 | 0 | 106.7 | E3 E7 | E3-D5 VanDerWaalsContact C-N 3.3Å; E3-D5 PolarHBondContact O-N 3.45Å; D5-E7 VanDerWaalsContact C-N 3.31Å; D5-E7 PolarHBondContact O-N 3.42Å | ||
| 6 | M | 57.7 | Low | 76.7 | Confident | 170 Ų | 170 | 78.6 Ų | 78.6 | 84% | 0.837 | 40% | 0.396 | S | S | * | . | trans | -66.8 | 99.1 | -178.9 | -77.5 | -155.1 | -56.2 | 0 | 0 | 106.4 | E4 V8 | E4-M6 PolarHBondContact O-N 3.34Å; M6-V8 PolarHBondContact O-N 2.98Å | ||
| 7 | E | 74 | Confident | 77.7 | Confident | 86 Ų | 86 | 75.8 Ų | 75.8 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | trans | -58.6 | 109.1 | 175.5 | -173.1 | -178.9 | -159.1 | 0 | 0 | 107.9 | D5 A9 Q50 R59 | D5-E7 VanDerWaalsContact C-N 3.31Å; D5-E7 PolarHBondContact O-N 3.42Å; E7-A9 PolarHBondContact O-N 3.41Å; E7-Q50 PolarHBondContact OE1-NE2 3.06Å; E7-R59 HydrophobicContact CG-CB 4.18Å; E7-R59 VanDerWaalsContact OE1-CD 3.26Å; E7-R59 WeakPolarHBondContact OE1-CD 3.26Å; E7-R59 IonicContact OE2-NH1 2.74Å; E7-R59 PolarHBondContact OE2-NH1 3.34Å | ||
| 8 | V | 91.5 | Very high | 78.4 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 102 | 179.3 | 180 | 0 | 0 | 0 | 0 | 108 | M6 V58 R59 Y169 L170 L173 | M6-V8 PolarHBondContact O-N 2.98Å; V8-V58 HydrophobicContact CB-CG2 4.45Å; V8-V58 HydrophobicContact CG1-CG1 4.46Å; V8-V58 CarbonylContact O-C 3.57Å; V8-V58 WeakPolarHBondContact O-CA 3.3Å; V8-V58 WeakPolarHBondContact O-CG1 3.38Å; V8-R59 PolarHBondContact O-N 3.24Å; V8-Y169 HydrophobicContact CG1-CD1 4.19Å; V8-Y169 HydrophobicContact CG1-CE1 3.85Å; V8-L170 HydrophobicContact CB-CD2 4.36Å; V8-L170 HydrophobicContact CG1-CD2 3.77Å; V8-L170 HydrophobicContact CG2-CD2 4.3Å; V8-L173 HydrophobicContact CG1-CD1 4.01Å |
| 9 | A | 94.6 | Very high | 79.1 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E7 R59 M61 Q83 | E7-A9 PolarHBondContact O-N 3.41Å; A9-R59 WeakPolarHBondContact CA-O 3.2Å; A9-R59 HydrophobicContact CB-CB 4.41Å; A9-M61 HydrophobicContact CB-CE 4.21Å; A9-Q83 PolarHBondContact O-NE2 3.45Å |
| 10 | I | 96.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120.3 | 179.1 | -179.3 | -174.3 | 0 | 0 | 0 | 110.2 | V12 V58 R59 L60 M61 Q83 A84 Y169 | I10-V12 HydrophobicContact CD1-CG2 4.18Å; I10-V12 HydrophobicContact CG1-CG2 4.16Å; I10-V58 HydrophobicContact CG2-CG1 3.73Å; I10-R59 PolarHBondContact N-O 3.22Å; I10-L60 HydrophobicContact CG2-CD2 3.2Å; I10-L60 HydrophobicContact CG2-CG 4.25Å; I10-M61 PolarHBondContact O-N 3.27Å; I10-Q83 HydrophobicContact CG1-CB 3.93Å; I10-A84 HydrophobicContact CD1-CB 3.65Å; I10-A84 HydrophobicContact CG1-CB 4.28Å; I10-Y169 HydrophobicContact CB-CD1 3.95Å; I10-Y169 HydrophobicContact CB-CE1 4.1Å; I10-Y169 HydrophobicContact CB-CG 4.48Å; I10-Y169 HydrophobicContact CD1-CD1 3.98Å; I10-Y169 HydrophobicContact CD1-CD2 4.34Å; I10-Y169 HydrophobicContact CD1-CG 3.7Å; I10-Y169 HydrophobicContact CG1-CD1 4.07Å; I10-Y169 HydrophobicContact CG1-CD2 4.48Å; I10-Y169 HydrophobicContact CG1-CE1 4.44Å; I10-Y169 HydrophobicContact CG1-CG 4.09Å |
| 11 | K | 96.3 | Very high | 80.6 | Confident | 22 Ų | 22 | 65 Ų | 65 | 10% | 0.096 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 115.4 | 168.8 | -179.7 | 168.4 | 172.3 | -179.1 | 0 | 109.6 | M61 W63 Y78 R80 A82 Q83 A84 | K11-M61 HydrophobicContact CB-CE 4.03Å; K11-W63 HydrophobicContact CD-CZ2 4.46Å; K11-W63 HydrophobicContact CG-CG 4.36Å; K11-Y78 WeakPolarHBondContact CE-O 3.5Å; K11-Y78 PolarHBondContact NZ-O 3.23Å; K11-R80 PolarHBondContact NZ-O 2.97Å; K11-A82 HydrophobicContact CG-CB 4.43Å; K11-Q83 PolarHBondContact O-N 3.45Å; K11-A84 PolarHBondContact O-N 3.27Å |
| 12 | V | 97.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125 | 176 | -171.7 | 0 | 0 | 0 | 0 | 109 | I10 L60 M61 L62 W63 A84 V86 F162 L165 | I10-V12 HydrophobicContact CD1-CG2 4.18Å; I10-V12 HydrophobicContact CG1-CG2 4.16Å; V12-L60 HydrophobicContact CG2-CD2 4.29Å; V12-M61 PolarHBondContact N-O 3.47Å; V12-L62 HydrophobicContact CB-CD2 3.64Å; V12-L62 HydrophobicContact CG1-CD2 4.22Å; V12-L62 HydrophobicContact CG2-CD2 3.82Å; V12-W63 PolarHBondContact O-N 3.16Å; V12-A84 WeakPolarHBondContact CA-O 3.28Å; V12-A84 HydrophobicContact CG1-CB 4.4Å; V12-A84 HydrophobicContact CG2-CB 4.22Å; V12-V86 HydrophobicContact CG1-CG2 4.06Å; V12-F162 HydrophobicContact CG1-CE1 4.46Å; V12-L165 HydrophobicContact CG1-CD1 3.81Å |
| 13 | V | 95.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136.5 | 169.4 | -67.1 | 0 | 0 | 0 | 0 | 110.2 | V15 W63 Y79 A82 A84 C85 V86 V107 | V13-V15 HydrophobicContact CB-CG1 4.45Å; V13-W63 HydrophobicContact CG1-CB 4.15Å; V13-Y79 HydrophobicContact CG1-CD1 4.37Å; V13-A82 HydrophobicContact CB-CB 4.48Å; V13-A82 HydrophobicContact CG1-CB 3.76Å; V13-A82 HydrophobicContact CG2-CB 3.95Å; V13-A84 PolarHBondContact N-O 3.44Å; V13-C85 HydrophobicContact CG2-CB 4.05Å; V13-C85 CarbonylContact O-C 3.56Å; V13-C85 WeakPolarHBondContact O-CA 3.5Å; V13-V86 PolarHBondContact O-N 3.35Å; V13-V107 HydrophobicContact CG2-CG1 4.47Å |
| 14 | V | 95.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.6 | 173.2 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | K22 I26 W63 T65 V86 V88 F162 | V14-K22 HydrophobicContact CG1-CB 3.75Å; V14-K22 HydrophobicContact CG1-CD 4.18Å; V14-K22 HydrophobicContact CG1-CG 3.89Å; V14-I26 HydrophobicContact CB-CD1 4.06Å; V14-I26 HydrophobicContact CG2-CD1 3.79Å; V14-I26 HydrophobicContact CG2-CG1 3.92Å; V14-W63 PolarHBondContact N-O 3Å; V14-T65 PolarHBondContact O-OG1 3.32Å; V14-V86 HydrophobicContact CB-CB 4.43Å; V14-V86 HydrophobicContact CG1-CB 4.13Å; V14-V86 HydrophobicContact CG1-CG1 4.37Å; V14-V86 HydrophobicContact CG2-CB 4.17Å; V14-V86 HydrophobicContact CG2-CG2 4.18Å; V14-V88 HydrophobicContact CG1-CG2 3.73Å; V14-F162 HydrophobicContact CG2-CE1 4.35Å |
| 15 | V | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 158.7 | -170.5 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | V13 K22 Y79 V86 L87 V88 W103 V107 | V13-V15 HydrophobicContact CB-CG1 4.45Å; V15-K22 VanDerWaalsContact C-CD 3.43Å; V15-Y79 HydrophobicContact CG1-CE1 3.64Å; V15-V86 WeakPolarHBondContact CG2-O 3.42Å; V15-V86 PolarHBondContact N-O 2.89Å; V15-L87 HydrophobicContact CG2-CD2 3.7Å; V15-V88 PolarHBondContact O-N 3.38Å; V15-W103 HydrophobicContact CB-CD2 4.46Å; V15-W103 HydrophobicContact CB-CE3 3.68Å; V15-W103 HydrophobicContact CB-CZ3 3.86Å; V15-W103 HydrophobicContact CG1-CE3 4.34Å; V15-W103 HydrophobicContact CG1-CZ3 4.24Å; V15-W103 HydrophobicContact CG2-CE3 4.4Å; V15-V107 HydrophobicContact CG1-CG2 4.21Å; V15-V107 HydrophobicContact CG2-CG2 4.13Å |
| 16 | G | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 140.2 | 166.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K22 G67 V88 W103 | G16-K22 WeakPolarHBondContact O-CE 3.37Å; G16-K22 PolarHBondContact O-NZ 3.38Å; G16-G67 VanDerWaalsContact O-CA 3.31Å; G16-G67 WeakPolarHBondContact O-CA 3.31Å; G16-V88 WeakPolarHBondContact CA-O 3.28Å; G16-W103 VanDerWaalsContact CA-CE2 3.49Å; G16-W103 WeakPolarHBondContact O-CH2 3.38Å; G16-W103 WeakPolarHBondContact O-CZ2 3.08Å | ||
| 17 | N | 92.8 | Very high | 93.5 | Very high | 32 Ų | 32 | 19.1 Ų | 19.1 | 17% | 0.171 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -56.8 | 167 | -175.8 | -76.8 | 19 | 0 | 0 | 0 | 113.7 | V20 K22 G67 A99 W103 | N17-V20 HydrophobicContact CB-CG1 3.96Å; N17-V20 VanDerWaalsContact O-CG2 3.24Å; N17-V20 WeakPolarHBondContact O-CG2 3.41Å; N17-K22 PolarHBondContact O-NZ 3.43Å; N17-G67 CarbonylContact C-O 3.39Å; N17-A99 WeakPolarHBondContact OD1-CB 3.42Å; N17-W103 PolarHBondContact OD1-NE1 3.13Å |
| 18 | G | 90.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 17 Ų | 17 | 16% | 0.155 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 150.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V20 G67 | G18-V20 PolarHBondContact O-N 3.43Å; G18-G67 PolarHBondContact N-O 3.09Å |
| 19 | A | 91.8 | Very high | 94.9 | Very high | 49 Ų | 49 | 16 Ų | 16 | 41% | 0.405 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 4.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | G21 Y38 K122 | A19-G21 PolarHBondContact O-N 2.79Å; A19-Y38 HydrophobicContact CB-CD2 4.18Å; A19-Y38 HydrophobicContact CB-CE2 3.73Å; A19-K122 VanDerWaalsContact O-CE 3.23Å; A19-K122 WeakPolarHBondContact O-CE 3.46Å; A19-K122 PolarHBondContact O-NZ 2.81Å |
| 20 | V | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -70.1 | -14 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 113.8 | N17 G18 K22 V88 S96 N121 | N17-V20 HydrophobicContact CB-CG1 3.96Å; N17-V20 VanDerWaalsContact O-CG2 3.24Å; N17-V20 WeakPolarHBondContact O-CG2 3.41Å; G18-V20 PolarHBondContact O-N 3.43Å; V20-K22 HydrophobicContact CG2-CD 4.25Å; V20-K22 HydrophobicContact CG2-CG 3.63Å; V20-V88 HydrophobicContact CB-CG1 4.27Å; V20-V88 HydrophobicContact CG2-CB 3.99Å; V20-V88 HydrophobicContact CG2-CG1 3.81Å; V20-S96 VanDerWaalsContact CG1-CB 3.49Å; V20-N121 PolarHBondContact O-ND2 3.19Å |
| 21 | G | 94.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 21 Ų | 21 | 12% | 0.124 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 104.5 | 22.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A19 S24 M25 | A19-G21 PolarHBondContact O-N 2.79Å; G21-S24 PolarHBondContact O-N 3.12Å; G21-M25 WeakPolarHBondContact O-CB 3.37Å; G21-M25 PolarHBondContact O-N 3.14Å |
| 22 | K | 94.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -56.7 | 178.5 | -54.9 | -172.5 | -58.2 | -70.3 | 0 | 112.9 | V14 V15 G16 N17 V20 S24 M25 I26 T65 V88 | V14-K22 HydrophobicContact CG1-CB 3.75Å; V14-K22 HydrophobicContact CG1-CD 4.18Å; V14-K22 HydrophobicContact CG1-CG 3.89Å; V15-K22 VanDerWaalsContact C-CD 3.43Å; G16-K22 WeakPolarHBondContact O-CE 3.37Å; G16-K22 PolarHBondContact O-NZ 3.38Å; N17-K22 PolarHBondContact O-NZ 3.43Å; V20-K22 HydrophobicContact CG2-CD 4.25Å; V20-K22 HydrophobicContact CG2-CG 3.63Å; K22-S24 VanDerWaalsContact C-N 3.31Å; K22-S24 PolarHBondContact O-N 3.23Å; K22-M25 WeakPolarHBondContact O-CB 3.4Å; K22-M25 PolarHBondContact O-N 2.81Å; K22-I26 PolarHBondContact O-N 3.05Å; K22-T65 WeakPolarHBondContact CE-O 3.29Å; K22-V88 HydrophobicContact CG-CB 4.3Å; K22-V88 HydrophobicContact CG-CG2 4.36Å |
| 23 | S | 93.3 | Very high | 94.4 | Very high | 28 Ų | 28 | 26.4 Ų | 26.4 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.1 | -45 | 177 | -48.1 | 0 | 0 | 0 | 0 | 111.7 | M25 I26 Q27 T41 D64 | S23-M25 VanDerWaalsContact C-N 3.31Å; S23-M25 PolarHBondContact O-N 3.08Å; S23-I26 PolarHBondContact O-N 3.32Å; S23-Q27 WeakPolarHBondContact O-CB 2.99Å; S23-Q27 VanDerWaalsContact O-CG 3.24Å; S23-Q27 WeakPolarHBondContact O-CG 3.4Å; S23-Q27 PolarHBondContact O-N 3.14Å; S23-T41 PolarHBondContact OG-OG1 3.49Å; S23-D64 WeakPolarHBondContact CA-OD1 3.47Å; S23-D64 WeakPolarHBondContact CA-OD2 3.32Å; S23-D64 WeakPolarHBondContact CB-OD2 3.49Å; S23-D64 PolarHBondContact N-OD1 3.26Å; S23-D64 PolarHBondContact OG-OD1 3.48Å; S23-D64 PolarHBondContact OG-OD2 3.28Å |
| 24 | S | 95.3 | Very high | 94.2 | Very high | 36 Ų | 36 | 29.5 Ų | 29.5 | 25% | 0.252 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 176.4 | -51.6 | 0 | 0 | 0 | 0 | 112 | G21 K22 R28 V152 | G21-S24 PolarHBondContact O-N 3.12Å; K22-S24 VanDerWaalsContact C-N 3.31Å; K22-S24 PolarHBondContact O-N 3.23Å; S24-R28 WeakPolarHBondContact O-CB 3.2Å; S24-R28 PolarHBondContact O-N 2.77Å; S24-V152 VanDerWaalsContact O-CG1 3.29Å; S24-V152 WeakPolarHBondContact O-CG1 3.13Å |
| 25 | M | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 177.5 | -173.9 | 178.8 | -74.6 | 0 | 0 | 111.2 | G21 K22 S23 R28 Y29 V86 V88 V119 V152 V158 F162 | G21-M25 WeakPolarHBondContact O-CB 3.37Å; G21-M25 PolarHBondContact O-N 3.14Å; K22-M25 WeakPolarHBondContact O-CB 3.4Å; K22-M25 PolarHBondContact O-N 2.81Å; S23-M25 VanDerWaalsContact C-N 3.31Å; S23-M25 PolarHBondContact O-N 3.08Å; M25-R28 PolarHBondContact O-N 3.18Å; M25-Y29 VanDerWaalsContact O-CB 3.3Å; M25-Y29 WeakPolarHBondContact O-CB 3.37Å; M25-Y29 PolarHBondContact O-N 3.43Å; M25-V86 HydrophobicContact SD-CG1 4.32Å; M25-V88 HydrophobicContact CE-CG1 4.45Å; M25-V88 HydrophobicContact CE-CG2 4.41Å; M25-V88 HydrophobicContact SD-CG2 4.48Å; M25-V119 HydrophobicContact CE-CB 4.46Å; M25-V119 HydrophobicContact CE-CG1 3.74Å; M25-V152 HydrophobicContact CB-CG2 3.65Å; M25-V152 HydrophobicContact CE-CG2 3.93Å; M25-V152 HydrophobicContact CG-CG2 4Å; M25-V158 HydrophobicContact CG-CG1 4.19Å; M25-F162 HydrophobicContact CG-CE2 3.96Å; M25-F162 HydrophobicContact CG-CZ 4.07Å; M25-F162 HydrophobicContact SD-CE2 4.39Å; M25-F162 HydrophobicContact SD-CZ 4.24Å |
| 26 | I | 95.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.3 | -47.5 | 178 | -63.8 | 170.6 | 0 | 0 | 0 | 110.3 | V14 K22 S23 R28 Y29 C30 L47 L62 D64 | V14-I26 HydrophobicContact CB-CD1 4.06Å; V14-I26 HydrophobicContact CG2-CD1 3.79Å; V14-I26 HydrophobicContact CG2-CG1 3.92Å; K22-I26 PolarHBondContact O-N 3.05Å; S23-I26 PolarHBondContact O-N 3.32Å; I26-R28 PolarHBondContact O-N 2.65Å; I26-Y29 PolarHBondContact O-N 3.18Å; I26-C30 WeakPolarHBondContact O-CB 3.25Å; I26-C30 PolarHBondContact O-N 3.34Å; I26-L47 HydrophobicContact CG2-CB 3.89Å; I26-L47 HydrophobicContact CG2-CD1 3.84Å; I26-L47 HydrophobicContact CG2-CG 4.27Å; I26-L62 HydrophobicContact CD1-CB 4.42Å; I26-L62 HydrophobicContact CG1-CB 4.28Å; I26-L62 HydrophobicContact CG1-CD1 4.42Å; I26-L62 HydrophobicContact CG2-CB 3.81Å; I26-L62 HydrophobicContact CG2-CD1 4.01Å; I26-D64 VanDerWaalsContact CD1-CA 3.44Å; I26-D64 HydrophobicContact CD1-CB 3.51Å |
| 27 | Q | 95 | Very high | 92.5 | Very high | 46 Ų | 46 | 47 Ų | 47 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 178.2 | -64.7 | -72.5 | -25.4 | 0 | 0 | 111.7 | S23 K31 G32 I33 L47 | S23-Q27 WeakPolarHBondContact O-CB 2.99Å; S23-Q27 VanDerWaalsContact O-CG 3.24Å; S23-Q27 WeakPolarHBondContact O-CG 3.4Å; S23-Q27 PolarHBondContact O-N 3.14Å; Q27-K31 WeakPolarHBondContact O-CA 3.46Å; Q27-K31 WeakPolarHBondContact O-CB 3.36Å; Q27-K31 PolarHBondContact O-N 3.2Å; Q27-K31 VanDerWaalsContact OE1-CD 3.3Å; Q27-G32 PolarHBondContact O-N 3.07Å; Q27-I33 CarbonylContact C-O 3.6Å; Q27-L47 HydrophobicContact CG-CD1 4.36Å; Q27-L47 VanDerWaalsContact NE2-CD1 3.32Å |
| 28 | R | 96.6 | Very high | 91.7 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.5 | 175.5 | 63 | 78.1 | 171.5 | 17.6 | 110.4 | S24 M25 I26 G32 I33 F34 V152 K153 D155 V158 | S24-R28 WeakPolarHBondContact O-CB 3.2Å; S24-R28 PolarHBondContact O-N 2.77Å; M25-R28 PolarHBondContact O-N 3.18Å; I26-R28 PolarHBondContact O-N 2.65Å; R28-G32 PolarHBondContact NH1-O 3.4Å; R28-G32 WeakPolarHBondContact O-CA 3.32Å; R28-G32 PolarHBondContact O-N 2.99Å; R28-I33 VanDerWaalsContact CA-O 3.3Å; R28-I33 WeakPolarHBondContact CA-O 3.45Å; R28-I33 PolarHBondContact N-O 3.45Å; R28-F34 VanDerWaalsContact CZ-CB 3.41Å; R28-V152 HydrophobicContact CB-CG1 3.84Å; R28-V152 HydrophobicContact CG-CG1 4.36Å; R28-V152 PolarHBondContact NE-O 2.88Å; R28-V152 PolarHBondContact NH2-O 3.27Å; R28-K153 PolarHBondContact NH2-O 3.13Å; R28-D155 WeakPolarHBondContact CD-OD1 3.33Å; R28-D155 HydrophobicContact CG-CB 4.44Å; R28-D155 WeakPolarHBondContact CG-OD1 3.38Å; R28-V158 HydrophobicContact CG-CG1 4.21Å; R28-V158 HydrophobicContact CG-CG2 4.3Å |
| 29 | Y | 97.4 | Very high | 91 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -43.2 | -179 | -177.2 | -107 | 0 | 0 | 0 | 113 | M25 I26 R49 I51 L60 L62 V158 N159 F162 | M25-Y29 VanDerWaalsContact O-CB 3.3Å; M25-Y29 WeakPolarHBondContact O-CB 3.37Å; M25-Y29 PolarHBondContact O-N 3.43Å; I26-Y29 PolarHBondContact O-N 3.18Å; Y29-R49 HydrophobicContact CD1-CB 4.5Å; Y29-R49 VanDerWaalsContact CD2-NH1 3.26Å; Y29-R49 HydrophobicContact CE1-CB 4.05Å; Y29-R49 HydrophobicContact CE1-CG 4.29Å; Y29-R49 WeakPolarHBondContact O-CD 3.33Å; Y29-R49 PolarHBondContact O-NH1 3.15Å; Y29-I51 WeakPolarHBondContact OH-CG2 3.22Å; Y29-L60 HydrophobicContact CE1-CD1 3.55Å; Y29-L60 WeakPolarHBondContact OH-CD1 3.39Å; Y29-L62 HydrophobicContact CD1-CD1 3.59Å; Y29-L62 HydrophobicContact CE1-CD1 4.15Å; Y29-V158 HydrophobicContact CD2-CG1 4.28Å; Y29-N159 WeakPolarHBondContact CD2-OD1 3.39Å; Y29-N159 HydrophobicContact CE2-CB 4.3Å; Y29-N159 WeakPolarHBondContact CE2-OD1 3.43Å; Y29-F162 HydrophobicContact CD1-CB 4.47Å; Y29-F162 AromaticContact CD1-CD2 3.69Å; Y29-F162 HydrophobicContact CD1-CD2 3.69Å; Y29-F162 HydrophobicContact CD1-CE2 4.05Å; Y29-F162 HydrophobicContact CD1-CG 4.03Å; Y29-F162 HydrophobicContact CD2-CB 4.37Å; Y29-F162 AromaticContact CD2-CD2 3.42Å; Y29-F162 HydrophobicContact CD2-CD2 3.42Å; Y29-F162 VanDerWaalsContact CD2-CD2 3.42Å; Y29-F162 HydrophobicContact CD2-CE2 4.07Å; Y29-F162 HydrophobicContact CD2-CG 4.21Å; Y29-F162 HydrophobicContact CE1-CB 3.87Å; Y29-F162 AromaticContact CE1-CD2 3.96Å; Y29-F162 HydrophobicContact CE1-CD2 3.96Å; Y29-F162 AromaticContact CE1-CG 3.88Å; Y29-F162 HydrophobicContact CE1-CG 3.88Å; Y29-F162 HydrophobicContact CE2-CB 3.79Å; Y29-F162 AromaticContact CE2-CD2 3.74Å; Y29-F162 HydrophobicContact CE2-CD2 3.74Å; Y29-F162 HydrophobicContact CE2-CG 4.11Å; Y29-F162 AromaticContact CG-CD2 3.36Å; Y29-F162 HydrophobicContact CG-CD2 3.36Å; Y29-F162 AromaticContact CG-CE2 3.65Å; Y29-F162 HydrophobicContact CG-CE2 3.65Å; Y29-F162 HydrophobicContact CG-CG 4.14Å; Y29-F162 VanDerWaalsContact CZ-CB 3.48Å; Y29-F162 AromaticContact CZ-CD2 3.97Å; Y29-F162 AromaticContact CZ-CG 3.92Å |
| 30 | C | 95.6 | Very high | 90.3 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -81.5 | -35.3 | -176.2 | -73.6 | 0 | 0 | 0 | 0 | 113.5 | I26 L47 | I26-C30 WeakPolarHBondContact O-CB 3.25Å; I26-C30 PolarHBondContact O-N 3.34Å; C30-L47 HydrophobicContact CB-CB 4.15Å; C30-L47 HydrophobicContact CB-CD1 4.04Å |
| 31 | K | 93.7 | Very high | 89.2 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 48% | 0.483 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -121 | -8 | -169.6 | -55.2 | -175.6 | -172.9 | 160.6 | 0 | 113.9 | Q27 I33 | Q27-K31 WeakPolarHBondContact O-CA 3.46Å; Q27-K31 WeakPolarHBondContact O-CB 3.36Å; Q27-K31 PolarHBondContact O-N 3.2Å; Q27-K31 VanDerWaalsContact OE1-CD 3.3Å; K31-I33 HydrophobicContact CB-CB 4.4Å; K31-I33 HydrophobicContact CB-CD1 3.9Å; K31-I33 HydrophobicContact CB-CG1 4.05Å; K31-I33 HydrophobicContact CD-CD1 4.43Å; K31-I33 PolarHBondContact O-N 3.07Å |
| 32 | G | 92.9 | Very high | 88.1 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 71.9 | 8.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q27 R28 | Q27-G32 PolarHBondContact O-N 3.07Å; R28-G32 PolarHBondContact NH1-O 3.4Å; R28-G32 WeakPolarHBondContact O-CA 3.32Å; R28-G32 PolarHBondContact O-N 2.99Å |
| 33 | I | 90.9 | Very high | 86.8 | Confident | 92 Ų | 92 | 71.3 Ų | 71.3 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | trans | -100.2 | 140.2 | -171.4 | -60.8 | 168.6 | 0 | 0 | 0 | 110.8 | Q27 R28 K31 | Q27-I33 CarbonylContact C-O 3.6Å; R28-I33 VanDerWaalsContact CA-O 3.3Å; R28-I33 WeakPolarHBondContact CA-O 3.45Å; R28-I33 PolarHBondContact N-O 3.45Å; K31-I33 HydrophobicContact CB-CB 4.4Å; K31-I33 HydrophobicContact CB-CD1 3.9Å; K31-I33 HydrophobicContact CB-CG1 4.05Å; K31-I33 HydrophobicContact CD-CD1 4.43Å; K31-I33 PolarHBondContact O-N 3.07Å | ||
| 34 | F | 91.4 | Very high | 85.8 | Confident | 65 Ų | 65 | 72 Ų | 72 | 29% | 0.285 | 37% | 0.367 | S | S | . | . | trans | -132.3 | 137.8 | 167.3 | 172 | -98.6 | 0 | 0 | 0 | 110.6 | R28 K36 V152 K153 | R28-F34 VanDerWaalsContact CZ-CB 3.41Å; F34-K36 HydrophobicContact CE1-CG 3.66Å; F34-K36 HydrophobicContact CZ-CG 4.24Å; F34-V152 HydrophobicContact CD2-CG1 3.98Å; F34-V152 HydrophobicContact CE2-CG1 4.43Å; F34-K153 HydrophobicContact CD1-CB 4.45Å; F34-K153 HydrophobicContact CD1-CG 4.19Å; F34-K153 HydrophobicContact CE1-CB 3.98Å; F34-K153 HydrophobicContact CE1-CD 4.48Å; F34-K153 HydrophobicContact CE1-CG 3.67Å; F34-K153 HydrophobicContact CE2-CB 4.11Å; F34-K153 HydrophobicContact CZ-CB 3.79Å; F34-K153 HydrophobicContact CZ-CG 3.95Å | ||
| 35 | T | 86.1 | Confident | 85 | Confident | 79 Ų | 79 | 73.8 Ų | 73.8 | 49% | 0.485 | 37% | 0.374 | S | S | . | . | trans | -126.4 | 133.7 | 175.7 | -52.7 | 0 | 0 | 0 | 0 | 108.6 | D37 | T35-D37 HydrophobicContact CG2-CB 3.96Š| ||
| 36 | K | 80.6 | Confident | 84.4 | Confident | 169 Ų | 169 | 80.3 Ų | 80.3 | 74% | 0.735 | 40% | 0.403 | S | S | * | . | trans | -73.3 | -29.2 | 177.1 | -71.8 | -175.8 | 179.2 | -179.3 | 0 | 112.7 | F34 Y38 | F34-K36 HydrophobicContact CE1-CG 3.66Å; F34-K36 HydrophobicContact CZ-CG 4.24Å; K36-Y38 PolarHBondContact O-N 3.33Å; K36-Y38 VanDerWaalsContact O-N 3.13Å | ||
| 37 | D | 82.4 | Confident | 84.3 | Confident | 120 Ų | 120 | 81.6 Ų | 81.6 | 64% | 0.642 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -63.2 | 114.3 | -178 | -58.4 | -27.6 | 0 | 0 | 0 | 110.7 | T35 K39 | T35-D37 HydrophobicContact CG2-CB 3.96Å; D37-K39 PolarHBondContact O-N 2.98Å |
| 38 | Y | 74.8 | Confident | 84.3 | Confident | 133 Ų | 133 | 83.6 Ų | 83.6 | 52% | 0.522 | 42% | 0.419 | S | S | . | . | trans | -71.6 | 117.8 | 173.8 | 178.4 | -110.5 | 0 | 0 | 0 | 109.8 | A19 K36 K40 | A19-Y38 HydrophobicContact CB-CD2 4.18Å; A19-Y38 HydrophobicContact CB-CE2 3.73Å; K36-Y38 PolarHBondContact O-N 3.33Å; K36-Y38 VanDerWaalsContact O-N 3.13Å; Y38-K40 HydrophobicContact CE1-CB 4.24Å | ||
| 39 | K | 76.9 | Confident | 84.3 | Confident | 174 Ų | 174 | 85.7 Ų | 85.7 | 76% | 0.757 | 43% | 0.427 | S | S | * | . | trans | -115.2 | 120 | 166.2 | -64.1 | -175 | -179.3 | -179.8 | 0 | 107.5 | D37 T41 | D37-K39 PolarHBondContact O-N 2.98Å; K39-T41 PolarHBondContact O-N 3.37Å | ||
| 40 | K | 75.8 | Confident | 84.2 | Confident | 99 Ų | 99 | 91.4 Ų | 91.4 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 123.9 | 174.8 | 178.2 | 175.5 | 167.5 | 174.6 | 0 | 108.3 | Y38 I42 | Y38-K40 HydrophobicContact CE1-CB 4.24Å; K40-I42 PolarHBondContact O-N 3.08Å |
| 41 | T | 73.1 | Confident | 84.2 | Confident | 30 Ų | 30 | 91.2 Ų | 91.2 | 18% | 0.184 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -67 | 119.7 | 172.9 | -45.4 | 0 | 0 | 0 | 0 | 108.6 | S23 K39 A66 | S23-T41 PolarHBondContact OG-OG1 3.49Å; K39-T41 PolarHBondContact O-N 3.37Å; T41-A66 WeakPolarHBondContact O-CB 3.19Å |
| 42 | I | 70 | Confident | 84.2 | Confident | 157 Ų | 157 | 91.7 Ų | 91.7 | 81% | 0.805 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -101.6 | 117 | 174.8 | -60.4 | 175.1 | 0 | 0 | 0 | 106.7 | K40 | K40-I42 PolarHBondContact O-N 3.08Š|
| 43 | G | 67.9 | Low | 84.3 | Confident | 34 Ų | 34 | 89.8 Ų | 89.8 | 35% | 0.351 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 77.1 | -139.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A66 | G43-A66 WeakPolarHBondContact O-CB 3.49Å; G43-A66 PolarHBondContact O-N 3.12Å |
| 44 | V | 73.4 | Confident | 84.2 | Confident | 41 Ų | 41 | 90.5 Ų | 90.5 | 25% | 0.248 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 133.5 | -177.4 | 166.2 | 0 | 0 | 0 | 0 | 109.8 | W63 D64 T65 Y78 | V44-W63 HydrophobicContact CG1-CE3 3.61Å; V44-W63 HydrophobicContact CG1-CZ3 4.02Å; V44-D64 VanDerWaalsContact CA-O 3.32Å; V44-D64 WeakPolarHBondContact CA-O 3.37Å; V44-T65 HydrophobicContact CG2-CG2 4.47Å; V44-Y78 HydrophobicContact CB-CD1 4.06Å; V44-Y78 HydrophobicContact CB-CE1 3.7Å; V44-Y78 HydrophobicContact CB-CE2 4.26Å; V44-Y78 HydrophobicContact CG1-CD1 4.13Å; V44-Y78 HydrophobicContact CG1-CE1 4.19Å; V44-Y78 HydrophobicContact CG2-CD1 3.63Å; V44-Y78 HydrophobicContact CG2-CD2 3.41Å; V44-Y78 VanDerWaalsContact CG2-CD2 3.41Å; V44-Y78 HydrophobicContact CG2-CE1 3.47Å; V44-Y78 VanDerWaalsContact CG2-CE1 3.47Å; V44-Y78 HydrophobicContact CG2-CE2 3.21Å; V44-Y78 HydrophobicContact CG2-CG 3.61Å |
| 45 | D | 78.6 | Confident | 84.2 | Confident | 74 Ų | 74 | 90.8 Ų | 90.8 | 40% | 0.396 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 153.4 | 171.7 | -163.6 | 8.7 | 0 | 0 | 0 | 108.9 | D64 | D45-D64 HydrophobicContact CB-CB 4.19Å; D45-D64 PolarHBondContact N-O 3.14Å; D45-D64 WeakPolarHBondContact O-CB 3.35Å; D45-D64 PolarHBondContact O-N 3.43Å |
| 46 | F | 83.7 | Confident | 84.4 | Confident | 138 Ų | 138 | 89.8 Ų | 89.8 | 61% | 0.605 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.2 | 178.4 | 80.8 | -87.4 | 0 | 0 | 0 | 110.3 | L62 | F46-L62 WeakPolarHBondContact CA-O 3.31Å |
| 47 | L | 93.1 | Very high | 85.1 | Confident | 28 Ų | 28 | 88.2 Ų | 88.2 | 15% | 0.147 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.5 | 170.4 | -71.2 | 176.7 | 0 | 0 | 0 | 109 | I26 Q27 C30 L62 | I26-L47 HydrophobicContact CG2-CB 3.89Å; I26-L47 HydrophobicContact CG2-CD1 3.84Å; I26-L47 HydrophobicContact CG2-CG 4.27Å; Q27-L47 HydrophobicContact CG-CD1 4.36Å; Q27-L47 VanDerWaalsContact NE2-CD1 3.32Å; C30-L47 HydrophobicContact CB-CB 4.15Å; C30-L47 HydrophobicContact CB-CD1 4.04Å; L47-L62 PolarHBondContact N-O 3.38Å; L47-L62 WeakPolarHBondContact O-CA 3.5Å; L47-L62 WeakPolarHBondContact O-CB 3.47Å; L47-L62 PolarHBondContact O-N 2.87Å |
| 48 | E | 95.5 | Very high | 85.7 | Confident | 89 Ų | 89 | 82.6 Ų | 82.6 | 42% | 0.416 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 155.1 | 177 | 63.9 | -175.3 | -163.8 | 0 | 0 | 112.1 | R59 L60 | E48-R59 IonicContact OE1-CZ 3.23Å; E48-R59 IonicContact OE1-NE 2.71Å; E48-R59 IonicContact OE1-NH2 3.23Å; E48-R59 PolarHBondContact OE1-NH2 3.47Å; E48-R59 IonicContact OE2-CZ 2.81Å; E48-R59 IonicContact OE2-NE 2.99Å; E48-R59 PolarHBondContact OE2-NE 3.45Å; E48-R59 IonicContact OE2-NH2 2.67Å; E48-R59 PolarHBondContact OE2-NH2 2.94Å; E48-L60 CarbonylContact C-O 3.6Å; E48-L60 WeakPolarHBondContact CA-O 3.5Å; E48-L60 WeakPolarHBondContact CB-O 3.44Å |
| 49 | R | 95.2 | Very high | 86.8 | Confident | 86 Ų | 86 | 79.7 Ų | 79.7 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 126.1 | 174.9 | -171.7 | 175.1 | -179.8 | -164.9 | -7 | 109.4 | Y29 I51 L60 N159 | Y29-R49 HydrophobicContact CD1-CB 4.5Å; Y29-R49 VanDerWaalsContact CD2-NH1 3.26Å; Y29-R49 HydrophobicContact CE1-CB 4.05Å; Y29-R49 HydrophobicContact CE1-CG 4.29Å; Y29-R49 WeakPolarHBondContact O-CD 3.33Å; Y29-R49 PolarHBondContact O-NH1 3.15Å; R49-I51 HydrophobicContact CG-CG2 4.15Å; R49-L60 PolarHBondContact N-O 2.93Å; R49-L60 WeakPolarHBondContact O-CB 3.43Å; R49-L60 PolarHBondContact O-N 3.25Å; R49-N159 PolarHBondContact NH1-OD1 2.78Å |
| 50 | Q | 96.1 | Very high | 87.7 | Confident | 127 Ų | 127 | 71.4 Ų | 71.4 | 59% | 0.593 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 136 | 167.7 | -73.5 | 174.4 | -16.4 | 0 | 0 | 109.7 | E7 V58 R59 | E7-Q50 PolarHBondContact OE1-NE2 3.06Å; Q50-V58 WeakPolarHBondContact CA-O 3.36Å; Q50-R59 HydrophobicContact CG-CB 4.24Å; Q50-R59 HydrophobicContact CG-CG 4.34Å |
| 51 | I | 95.6 | Very high | 88.7 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 157.7 | 176.8 | 60.1 | 169 | 0 | 0 | 0 | 110.3 | Y29 R49 V53 V58 L60 A166 | Y29-I51 WeakPolarHBondContact OH-CG2 3.22Å; R49-I51 HydrophobicContact CG-CG2 4.15Å; I51-V53 HydrophobicContact CD1-CG2 3.47Å; I51-V53 VanDerWaalsContact CD1-CG2 3.47Å; I51-V53 HydrophobicContact CG1-CG2 3.92Å; I51-V58 HydrophobicContact CG1-CB 4.23Å; I51-V58 PolarHBondContact N-O 2.88Å; I51-V58 PolarHBondContact O-N 3Å; I51-L60 HydrophobicContact CD1-CD1 3.66Å; I51-L60 HydrophobicContact CD1-CD2 4.47Å; I51-L60 HydrophobicContact CD1-CG 4.09Å; I51-L60 HydrophobicContact CG1-CD1 4.18Å; I51-L60 HydrophobicContact CG1-CG 4.27Å; I51-A166 HydrophobicContact CD1-CB 3.97Å |
| 52 | I | 94.8 | Very high | 89.8 | Confident | 121 Ų | 121 | 68 Ų | 68 | 62% | 0.621 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.2 | 171.4 | -59.9 | 172.7 | 0 | 0 | 0 | 108.4 | E56 E57 | I52-E56 CarbonylContact C-O 3.52Å; I52-E56 WeakPolarHBondContact CA-O 3.5Å; I52-E57 HydrophobicContact CG1-CG 4.2Å |
| 53 | V | 93.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 121.4 | -179.9 | 178.4 | 0 | 0 | 0 | 0 | 109 | I51 G55 E56 K163 A166 E167 L170 | I51-V53 HydrophobicContact CD1-CG2 3.47Å; I51-V53 VanDerWaalsContact CD1-CG2 3.47Å; I51-V53 HydrophobicContact CG1-CG2 3.92Å; V53-G55 PolarHBondContact O-N 2.98Å; V53-G55 VanDerWaalsContact O-N 3.16Å; V53-E56 PolarHBondContact N-O 3.02Å; V53-E56 PolarHBondContact O-N 3.16Å; V53-K163 HydrophobicContact CG2-CG 4.44Å; V53-A166 HydrophobicContact CG2-CB 3.94Å; V53-E167 HydrophobicContact CG1-CB 4.27Å; V53-E167 HydrophobicContact CG1-CG 3.29Å; V53-L170 HydrophobicContact CB-CD1 4.19Å; V53-L170 HydrophobicContact CG1-CD1 4.13Å |
| 54 | N | 90.1 | Very high | 91.6 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 58% | 0.578 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 32.6 | -177.3 | -57.9 | -35.3 | 0 | 0 | 0 | 114 | E56 | N54-E56 VanDerWaalsContact C-N 3.31Š|
| 55 | G | 90.3 | Very high | 91.7 | Very high | 71 Ų | 71 | 60.7 Ų | 60.7 | 73% | 0.732 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | -0.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | V53 | V53-G55 PolarHBondContact O-N 2.98Å; V53-G55 VanDerWaalsContact O-N 3.16Å |
| 56 | E | 91.2 | Very high | 91.4 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.4 | 177.5 | -67.9 | 172.8 | -138.7 | 0 | 0 | 110.8 | I52 V53 N54 L170 K174 | I52-E56 CarbonylContact C-O 3.52Å; I52-E56 WeakPolarHBondContact CA-O 3.5Å; V53-E56 PolarHBondContact N-O 3.02Å; V53-E56 PolarHBondContact O-N 3.16Å; N54-E56 VanDerWaalsContact C-N 3.31Å; E56-L170 HydrophobicContact CB-CD1 4.16Å; E56-L170 WeakPolarHBondContact OE2-CD2 3.43Å; E56-K174 WeakPolarHBondContact OE1-CE 3.45Å; E56-K174 IonicContact OE1-NZ 2.65Å; E56-K174 PolarHBondContact OE1-NZ 2.75Å |
| 57 | E | 94.2 | Very high | 90.4 | Very high | 135 Ų | 135 | 52.3 Ų | 52.3 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 124.2 | 172.2 | -68.5 | -172 | 176.4 | 0 | 0 | 110.2 | I52 | I52-E57 HydrophobicContact CG1-CG 4.2Å |
| 58 | V | 96.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.2 | -178 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | V8 I10 Q50 I51 L60 A166 L170 | V8-V58 HydrophobicContact CB-CG2 4.45Å; V8-V58 HydrophobicContact CG1-CG1 4.46Å; V8-V58 CarbonylContact O-C 3.57Å; V8-V58 WeakPolarHBondContact O-CA 3.3Å; V8-V58 WeakPolarHBondContact O-CG1 3.38Å; I10-V58 HydrophobicContact CG2-CG1 3.73Å; Q50-V58 WeakPolarHBondContact CA-O 3.36Å; I51-V58 HydrophobicContact CG1-CB 4.23Å; I51-V58 PolarHBondContact N-O 2.88Å; I51-V58 PolarHBondContact O-N 3Å; V58-L60 HydrophobicContact CG1-CD2 4.28Å; V58-A166 HydrophobicContact CG1-CB 4.29Å; V58-L170 HydrophobicContact CG2-CD1 3.82Å; V58-L170 HydrophobicContact CG2-CD2 4.06Å; V58-L170 HydrophobicContact CG2-CG 4.17Å |
| 59 | R | 96.8 | Very high | 87.2 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 108.5 | 172 | -177.3 | 175.2 | 175.3 | 175.6 | 5.6 | 110.4 | E7 V8 A9 I10 E48 Q50 | E7-R59 HydrophobicContact CG-CB 4.18Å; E7-R59 VanDerWaalsContact OE1-CD 3.26Å; E7-R59 WeakPolarHBondContact OE1-CD 3.26Å; E7-R59 IonicContact OE2-NH1 2.74Å; E7-R59 PolarHBondContact OE2-NH1 3.34Å; V8-R59 PolarHBondContact O-N 3.24Å; A9-R59 WeakPolarHBondContact CA-O 3.2Å; A9-R59 HydrophobicContact CB-CB 4.41Å; I10-R59 PolarHBondContact N-O 3.22Å; E48-R59 IonicContact OE1-CZ 3.23Å; E48-R59 IonicContact OE1-NE 2.71Å; E48-R59 IonicContact OE1-NH2 3.23Å; E48-R59 PolarHBondContact OE1-NH2 3.47Å; E48-R59 IonicContact OE2-CZ 2.81Å; E48-R59 IonicContact OE2-NE 2.99Å; E48-R59 PolarHBondContact OE2-NE 3.45Å; E48-R59 IonicContact OE2-NH2 2.67Å; E48-R59 PolarHBondContact OE2-NH2 2.94Å; Q50-R59 HydrophobicContact CG-CB 4.24Å; Q50-R59 HydrophobicContact CG-CG 4.34Å |
| 60 | L | 97.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120 | 172.8 | -59.9 | 173.7 | 0 | 0 | 0 | 109.7 | I10 V12 Y29 E48 R49 I51 V58 L62 F162 A166 | I10-L60 HydrophobicContact CG2-CD2 3.2Å; I10-L60 HydrophobicContact CG2-CG 4.25Å; V12-L60 HydrophobicContact CG2-CD2 4.29Å; Y29-L60 HydrophobicContact CE1-CD1 3.55Å; Y29-L60 WeakPolarHBondContact OH-CD1 3.39Å; E48-L60 CarbonylContact C-O 3.6Å; E48-L60 WeakPolarHBondContact CA-O 3.5Å; E48-L60 WeakPolarHBondContact CB-O 3.44Å; R49-L60 PolarHBondContact N-O 2.93Å; R49-L60 WeakPolarHBondContact O-CB 3.43Å; R49-L60 PolarHBondContact O-N 3.25Å; I51-L60 HydrophobicContact CD1-CD1 3.66Å; I51-L60 HydrophobicContact CD1-CD2 4.47Å; I51-L60 HydrophobicContact CD1-CG 4.09Å; I51-L60 HydrophobicContact CG1-CD1 4.18Å; I51-L60 HydrophobicContact CG1-CG 4.27Å; V58-L60 HydrophobicContact CG1-CD2 4.28Å; L60-L62 HydrophobicContact CB-CD2 4.01Å; L60-F162 HydrophobicContact CD1-CB 3.89Å; L60-A166 HydrophobicContact CD2-CB 4.13Å |
| 61 | M | 96.3 | Very high | 83.6 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 28% | 0.281 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 105.4 | 169.5 | -59.9 | -180 | -67.6 | 0 | 0 | 108.6 | A9 I10 K11 V12 | A9-M61 HydrophobicContact CB-CE 4.21Å; I10-M61 PolarHBondContact O-N 3.27Å; K11-M61 HydrophobicContact CB-CE 4.03Å; V12-M61 PolarHBondContact N-O 3.47Å |
| 62 | L | 95.6 | Very high | 82 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.3 | -174.4 | -53.7 | -170.2 | 0 | 0 | 0 | 110.6 | V12 I26 Y29 F46 L47 L60 F162 | V12-L62 HydrophobicContact CB-CD2 3.64Å; V12-L62 HydrophobicContact CG1-CD2 4.22Å; V12-L62 HydrophobicContact CG2-CD2 3.82Å; I26-L62 HydrophobicContact CD1-CB 4.42Å; I26-L62 HydrophobicContact CG1-CB 4.28Å; I26-L62 HydrophobicContact CG1-CD1 4.42Å; I26-L62 HydrophobicContact CG2-CB 3.81Å; I26-L62 HydrophobicContact CG2-CD1 4.01Å; Y29-L62 HydrophobicContact CD1-CD1 3.59Å; Y29-L62 HydrophobicContact CE1-CD1 4.15Å; F46-L62 WeakPolarHBondContact CA-O 3.31Å; L47-L62 PolarHBondContact N-O 3.38Å; L47-L62 WeakPolarHBondContact O-CA 3.5Å; L47-L62 WeakPolarHBondContact O-CB 3.47Å; L47-L62 PolarHBondContact O-N 2.87Å; L60-L62 HydrophobicContact CB-CD2 4.01Å; L62-F162 HydrophobicContact CD1-CD1 4.17Å; L62-F162 HydrophobicContact CD1-CE1 3.76Å; L62-F162 HydrophobicContact CD1-CZ 3.95Å; L62-F162 HydrophobicContact CD2-CD1 3.74Å; L62-F162 HydrophobicContact CD2-CE1 3.67Å; L62-F162 HydrophobicContact CG-CE1 4.36Å |
| 63 | W | 91.9 | Very high | 80.4 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 26% | 0.261 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 109.6 | 180 | -71.7 | 67.8 | 0 | 0 | 0 | 109.7 | K11 V12 V13 V14 V44 T65 Y78 | K11-W63 HydrophobicContact CD-CZ2 4.46Å; K11-W63 HydrophobicContact CG-CG 4.36Å; V12-W63 PolarHBondContact O-N 3.16Å; V13-W63 HydrophobicContact CG1-CB 4.15Å; V14-W63 PolarHBondContact N-O 3Å; V44-W63 HydrophobicContact CG1-CE3 3.61Å; V44-W63 HydrophobicContact CG1-CZ3 4.02Å; W63-T65 PolarHBondContact O-N 3.41Å; W63-Y78 HydrophobicContact CE3-CD1 4.37Å; W63-Y78 HydrophobicContact CZ3-CD1 4.16Å |
| 64 | D | 84.1 | Confident | 79 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.043 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 108.5 | 174.5 | -171.5 | 22.6 | 0 | 0 | 0 | 109.6 | S23 I26 V44 D45 | S23-D64 WeakPolarHBondContact CA-OD1 3.47Å; S23-D64 WeakPolarHBondContact CA-OD2 3.32Å; S23-D64 WeakPolarHBondContact CB-OD2 3.49Å; S23-D64 PolarHBondContact N-OD1 3.26Å; S23-D64 PolarHBondContact OG-OD1 3.48Å; S23-D64 PolarHBondContact OG-OD2 3.28Å; I26-D64 VanDerWaalsContact CD1-CA 3.44Å; I26-D64 HydrophobicContact CD1-CB 3.51Å; V44-D64 VanDerWaalsContact CA-O 3.32Å; V44-D64 WeakPolarHBondContact CA-O 3.37Å; D45-D64 HydrophobicContact CB-CB 4.19Å; D45-D64 PolarHBondContact N-O 3.14Å; D45-D64 WeakPolarHBondContact O-CB 3.35Å; D45-D64 PolarHBondContact O-N 3.43Å |
| 65 | T | 76.9 | Confident | 78.1 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.8 | 179.9 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | V14 K22 V44 W63 G67 Y79 | V14-T65 PolarHBondContact O-OG1 3.32Å; K22-T65 WeakPolarHBondContact CE-O 3.29Å; V44-T65 HydrophobicContact CG2-CG2 4.47Å; W63-T65 PolarHBondContact O-N 3.41Å; T65-G67 PolarHBondContact O-N 3.34Å; T65-Y79 HydrophobicContact CG2-CE1 4.49Å |
| 66 | A | 71.2 | Confident | 77.6 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | trans | -58 | 124.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T41 G43 Q68 | T41-A66 WeakPolarHBondContact O-CB 3.19Å; G43-A66 WeakPolarHBondContact O-CB 3.49Å; G43-A66 PolarHBondContact O-N 3.12Å; A66-Q68 PolarHBondContact O-N 2.94Å; A66-Q68 VanDerWaalsContact O-N 3.13Å | ||
| 67 | G | 62.4 | Low | 77.2 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -76.8 | 9.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G16 N17 G18 T65 | G16-G67 VanDerWaalsContact O-CA 3.31Å; G16-G67 WeakPolarHBondContact O-CA 3.31Å; N17-G67 CarbonylContact C-O 3.39Å; G18-G67 PolarHBondContact N-O 3.09Å; T65-G67 PolarHBondContact O-N 3.34Å |
| 68 | Q | 59.9 | Low | 76.8 | Confident | 84 Ų | 84 | 55.1 Ų | 55.1 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | trans | -121.1 | 86.1 | 179.1 | -72.1 | -175.8 | -6.4 | 0 | 0 | 106.4 | A66 E70 | A66-Q68 PolarHBondContact O-N 2.94Å; A66-Q68 VanDerWaalsContact O-N 3.13Å; Q68-E70 PolarHBondContact O-N 3.46Å | ||
| 69 | E | 62.1 | Low | 76.5 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 15% | 0.15 | 29% | 0.286 | C | S | . | . | trans | -80.9 | 63.7 | -174.1 | -48.6 | -151.6 | 133.1 | 0 | 0 | 110.9 | F71 T75 Y79 W103 K106 | E69-F71 PolarHBondContact O-N 3.43Å; E69-F71 VanDerWaalsContact O-N 3.13Å; E69-T75 WeakPolarHBondContact OE1-CG2 3.08Å; E69-Y79 PolarHBondContact OE1-OH 2.93Å; E69-Y79 PolarHBondContact OE2-OH 2.88Å; E69-W103 HydrophobicContact CG-CH2 3.18Å; E69-W103 HydrophobicContact CG-CZ2 3.94Å; E69-W103 HydrophobicContact CG-CZ3 3.73Å; E69-W103 VanDerWaalsContact OE1-CH2 3.24Å; E69-W103 WeakPolarHBondContact OE1-CH2 3.37Å; E69-W103 WeakPolarHBondContact OE1-CZ3 3.09Å; E69-K106 WeakPolarHBondContact OE2-CD 3.31Å; E69-K106 WeakPolarHBondContact OE2-CE 3.41Å; E69-K106 IonicContact OE2-NZ 2.98Å; E69-K106 PolarHBondContact OE2-NZ 3.09Å | ||
| 70 | E | 56.3 | Low | 76.2 | Confident | 136 Ų | 136 | 60.1 Ų | 60.1 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -66.3 | -9.6 | 176.3 | -72.7 | 168.3 | 177.4 | 0 | 0 | 111.8 | Q68 | Q68-E70 PolarHBondContact O-N 3.46Š|
| 71 | F | 58.5 | Low | 76.1 | Confident | 137 Ų | 137 | 62.4 Ų | 62.4 | 60% | 0.601 | 33% | 0.328 | S | S | * | . | trans | -140.6 | 87.7 | -178.5 | -59.2 | -77.2 | 0 | 0 | 0 | 114 | E69 A73 I74 T75 | E69-F71 PolarHBondContact O-N 3.43Å; E69-F71 VanDerWaalsContact O-N 3.13Å; F71-A73 PolarHBondContact O-N 3.04Å; F71-I74 HydrophobicContact CB-CB 4.34Å; F71-I74 HydrophobicContact CB-CD1 3.98Å; F71-I74 HydrophobicContact CB-CG1 4.23Å; F71-I74 HydrophobicContact CG-CD1 4.35Å; F71-I74 PolarHBondContact O-N 3.26Å; F71-I74 VanDerWaalsContact O-N 3.09Å; F71-T75 PolarHBondContact O-N 3.3Å; F71-T75 PolarHBondContact O-OG1 3.42Å | ||
| 72 | D | 63.7 | Low | 76.1 | Confident | 90 Ų | 90 | 59.9 Ų | 59.9 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -53.3 | -30.9 | -179.2 | -74 | -32.1 | 0 | 0 | 0 | 114.7 | K76 K106 | D72-K76 WeakPolarHBondContact O-CG 3.35Å; D72-K76 PolarHBondContact O-N 2.98Å; D72-K106 IonicContact OD1-NZ 2.67Å; D72-K106 PolarHBondContact OD1-NZ 3.31Å |
| 73 | A | 60.6 | Low | 76.2 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 69% | 0.694 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -69.7 | -37.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F71 | F71-A73 PolarHBondContact O-N 3.04Å |
| 74 | I | 63.2 | Low | 76.5 | Confident | 91 Ų | 91 | 59.1 Ų | 59.1 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.9 | -39.6 | 177.5 | -63.2 | 175.7 | 0 | 0 | 0 | 109.1 | F71 K76 A77 Y78 | F71-I74 HydrophobicContact CB-CB 4.34Å; F71-I74 HydrophobicContact CB-CD1 3.98Å; F71-I74 HydrophobicContact CB-CG1 4.23Å; F71-I74 HydrophobicContact CG-CD1 4.35Å; F71-I74 PolarHBondContact O-N 3.26Å; F71-I74 VanDerWaalsContact O-N 3.09Å; I74-K76 PolarHBondContact O-N 2.98Å; I74-A77 WeakPolarHBondContact O-CB 3.28Å; I74-A77 PolarHBondContact O-N 3.28Å; I74-Y78 HydrophobicContact CG2-CD2 4.49Å; I74-Y78 HydrophobicContact CG2-CE2 3.52Å; I74-Y78 WeakPolarHBondContact O-CD2 3.38Å |
| 75 | T | 72.1 | Confident | 77.1 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56 | -45.9 | 177.1 | -65 | 0 | 0 | 0 | 0 | 113.3 | E69 F71 A77 Y78 Y79 | E69-T75 WeakPolarHBondContact OE1-CG2 3.08Å; F71-T75 PolarHBondContact O-N 3.3Å; F71-T75 PolarHBondContact O-OG1 3.42Å; T75-A77 VanDerWaalsContact C-N 3.27Å; T75-A77 PolarHBondContact O-N 3.37Å; T75-Y78 WeakPolarHBondContact O-CB 3.12Å; T75-Y78 PolarHBondContact O-N 2.94Å; T75-Y79 HydrophobicContact CG2-CD2 4.22Å; T75-Y79 HydrophobicContact CG2-CE1 3.81Å; T75-Y79 HydrophobicContact CG2-CE2 3.39Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.38Å; T75-Y79 PolarHBondContact O-N 3.34Å |
| 76 | K | 79.6 | Confident | 78.1 | Confident | 115 Ų | 115 | 58.6 Ų | 58.6 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57 | -39.7 | 179.9 | -73.6 | 177.3 | -175.6 | -173.6 | 0 | 113.1 | D72 I74 Y78 Y79 R80 | D72-K76 WeakPolarHBondContact O-CG 3.35Å; D72-K76 PolarHBondContact O-N 2.98Å; I74-K76 PolarHBondContact O-N 2.98Å; K76-Y78 PolarHBondContact O-N 2.94Å; K76-Y79 PolarHBondContact O-N 3.34Å; K76-Y79 VanDerWaalsContact O-N 3.15Å; K76-R80 PolarHBondContact O-N 2.82Å; K76-R80 VanDerWaalsContact O-N 3.14Å |
| 77 | A | 83.3 | Confident | 79.4 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.1 | -31.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I74 T75 | I74-A77 WeakPolarHBondContact O-CB 3.28Å; I74-A77 PolarHBondContact O-N 3.28Å; T75-A77 VanDerWaalsContact C-N 3.27Å; T75-A77 PolarHBondContact O-N 3.37Å |
| 78 | Y | 85.6 | Confident | 81.1 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -76.2 | -32.9 | 178.2 | -57 | -50.4 | 0 | 0 | 0 | 113.1 | K11 V44 W63 I74 T75 K76 | K11-Y78 WeakPolarHBondContact CE-O 3.5Å; K11-Y78 PolarHBondContact NZ-O 3.23Å; V44-Y78 HydrophobicContact CB-CD1 4.06Å; V44-Y78 HydrophobicContact CB-CE1 3.7Å; V44-Y78 HydrophobicContact CB-CE2 4.26Å; V44-Y78 HydrophobicContact CG1-CD1 4.13Å; V44-Y78 HydrophobicContact CG1-CE1 4.19Å; V44-Y78 HydrophobicContact CG2-CD1 3.63Å; V44-Y78 HydrophobicContact CG2-CD2 3.41Å; V44-Y78 VanDerWaalsContact CG2-CD2 3.41Å; V44-Y78 HydrophobicContact CG2-CE1 3.47Å; V44-Y78 VanDerWaalsContact CG2-CE1 3.47Å; V44-Y78 HydrophobicContact CG2-CE2 3.21Å; V44-Y78 HydrophobicContact CG2-CG 3.61Å; W63-Y78 HydrophobicContact CE3-CD1 4.37Å; W63-Y78 HydrophobicContact CZ3-CD1 4.16Å; I74-Y78 HydrophobicContact CG2-CD2 4.49Å; I74-Y78 HydrophobicContact CG2-CE2 3.52Å; I74-Y78 WeakPolarHBondContact O-CD2 3.38Å; T75-Y78 WeakPolarHBondContact O-CB 3.12Å; T75-Y78 PolarHBondContact O-N 2.94Å; K76-Y78 PolarHBondContact O-N 2.94Å |
| 79 | Y | 89.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75 | -29.9 | 178 | -56.2 | -18.9 | 0 | 0 | 0 | 112.3 | V13 V15 T65 E69 T75 K76 G81 A82 W103 K106 V107 E110 V111 | V13-Y79 HydrophobicContact CG1-CD1 4.37Å; V15-Y79 HydrophobicContact CG1-CE1 3.64Å; T65-Y79 HydrophobicContact CG2-CE1 4.49Å; E69-Y79 PolarHBondContact OE1-OH 2.93Å; E69-Y79 PolarHBondContact OE2-OH 2.88Å; T75-Y79 HydrophobicContact CG2-CD2 4.22Å; T75-Y79 HydrophobicContact CG2-CE1 3.81Å; T75-Y79 HydrophobicContact CG2-CE2 3.39Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.38Å; T75-Y79 PolarHBondContact O-N 3.34Å; K76-Y79 PolarHBondContact O-N 3.34Å; K76-Y79 VanDerWaalsContact O-N 3.15Å; Y79-G81 PolarHBondContact O-N 2.82Å; Y79-A82 WeakPolarHBondContact O-CB 3.32Å; Y79-A82 PolarHBondContact O-N 2.71Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.43Å; Y79-K106 HydrophobicContact CE2-CB 3.9Å; Y79-V107 HydrophobicContact CD1-CG2 4.46Å; Y79-V107 HydrophobicContact CD2-CG2 4.24Å; Y79-V107 HydrophobicContact CE1-CG2 4.37Å; Y79-V107 HydrophobicContact CE2-CG2 4.09Å; Y79-V107 HydrophobicContact CG-CG2 4.41Å; Y79-E110 HydrophobicContact CD2-CB 4.44Å; Y79-V111 WeakPolarHBondContact O-CG1 3.22Å |
| 80 | R | 90.8 | Very high | 84.6 | Confident | 177 Ų | 177 | 51.4 Ų | 51.4 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 125.6 | -178.6 | -169.3 | -179.3 | -179.2 | 98.8 | -2.3 | 112.2 | K11 K76 A82 E110 | K11-R80 PolarHBondContact NZ-O 2.97Å; K76-R80 PolarHBondContact O-N 2.82Å; K76-R80 VanDerWaalsContact O-N 3.14Å; R80-A82 PolarHBondContact O-N 2.73Å; R80-E110 HydrophobicContact CB-CG 4.41Å |
| 81 | G | 93.6 | Very high | 86.6 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 50% | 0.495 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y79 Q83 | Y79-G81 PolarHBondContact O-N 2.82Å; G81-Q83 PolarHBondContact O-N 3.12Å; G81-Q83 PolarHBondContact O-OE1 3.46Å |
| 82 | A | 96.3 | Very high | 88.5 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | trans | -61.1 | 135.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | K11 V13 Y79 R80 V111 I114 | K11-A82 HydrophobicContact CG-CB 4.43Å; V13-A82 HydrophobicContact CB-CB 4.48Å; V13-A82 HydrophobicContact CG1-CB 3.76Å; V13-A82 HydrophobicContact CG2-CB 3.95Å; Y79-A82 WeakPolarHBondContact O-CB 3.32Å; Y79-A82 PolarHBondContact O-N 2.71Å; R80-A82 PolarHBondContact O-N 2.73Å; A82-V111 HydrophobicContact CB-CG1 4.44Å; A82-V111 HydrophobicContact CB-CG2 4.48Å; A82-I114 HydrophobicContact CB-CD1 4.16Å | ||
| 83 | Q | 97.6 | Very high | 90.1 | Very high | 52 Ų | 52 | 38.1 Ų | 38.1 | 24% | 0.243 | 21% | 0.213 | C | C | . | . | trans | -111.1 | -12 | -179.6 | -67.1 | 134.2 | -59.1 | 0 | 0 | 111.8 | A9 I10 K11 G81 P115 Y169 | A9-Q83 PolarHBondContact O-NE2 3.45Å; I10-Q83 HydrophobicContact CG1-CB 3.93Å; K11-Q83 PolarHBondContact O-N 3.45Å; G81-Q83 PolarHBondContact O-N 3.12Å; G81-Q83 PolarHBondContact O-OE1 3.46Å; Q83-P115 VanDerWaalsContact O-CD 3.32Å; Q83-P115 WeakPolarHBondContact O-CD 3.47Å; Q83-Y169 HydrophobicContact CB-CD2 3.99Å; Q83-Y169 HydrophobicContact CB-CE2 3.64Å; Q83-Y169 HydrophobicContact CG-CE2 3.89Å; Q83-Y169 PolarHBondContact NE2-OH 3.47Å | ||
| 84 | A | 98.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 158.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | I10 K11 V12 V13 P115 L165 | I10-A84 HydrophobicContact CD1-CB 3.65Å; I10-A84 HydrophobicContact CG1-CB 4.28Å; K11-A84 PolarHBondContact O-N 3.27Å; V12-A84 WeakPolarHBondContact CA-O 3.28Å; V12-A84 HydrophobicContact CG1-CB 4.4Å; V12-A84 HydrophobicContact CG2-CB 4.22Å; V13-A84 PolarHBondContact N-O 3.44Å; A84-P115 CarbonylContact C-O 3.58Å; A84-P115 WeakPolarHBondContact CA-O 3.3Å; A84-P115 HydrophobicContact CB-CB 4.35Å; A84-L165 HydrophobicContact CB-CB 4.17Å; A84-L165 HydrophobicContact CB-CD1 4.18Å; A84-L165 HydrophobicContact CB-CD2 4.1Å; A84-L165 HydrophobicContact CB-CG 4.38Å |
| 85 | C | 97.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.2 | -176 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | V13 V107 I114 P115 T116 V117 | V13-C85 HydrophobicContact CG2-CB 4.05Å; V13-C85 CarbonylContact O-C 3.56Å; V13-C85 WeakPolarHBondContact O-CA 3.5Å; C85-V107 HydrophobicContact CB-CG1 4.28Å; C85-I114 HydrophobicContact CB-CD1 3.9Å; C85-I114 HydrophobicContact CB-CG1 4.38Å; C85-P115 PolarHBondContact N-O 3.21Å; C85-T116 HydrophobicContact CB-CG2 4.03Å; C85-T116 VanDerWaalsContact O-CA 3.29Å; C85-T116 WeakPolarHBondContact O-CA 3.36Å; C85-V117 PolarHBondContact O-N 3.31Å |
| 86 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.5 | 166.6 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | V12 V13 V14 V15 M25 V88 V117 V119 V161 F162 L165 | V12-V86 HydrophobicContact CG1-CG2 4.06Å; V13-V86 PolarHBondContact O-N 3.35Å; V14-V86 HydrophobicContact CB-CB 4.43Å; V14-V86 HydrophobicContact CG1-CB 4.13Å; V14-V86 HydrophobicContact CG1-CG1 4.37Å; V14-V86 HydrophobicContact CG2-CB 4.17Å; V14-V86 HydrophobicContact CG2-CG2 4.18Å; V15-V86 WeakPolarHBondContact CG2-O 3.42Å; V15-V86 PolarHBondContact N-O 2.89Å; M25-V86 HydrophobicContact SD-CG1 4.32Å; V86-V88 HydrophobicContact CB-CG2 4.48Å; V86-V88 HydrophobicContact CG1-CG2 3.61Å; V86-V117 HydrophobicContact CB-CG1 4.21Å; V86-V117 HydrophobicContact CG1-CG1 4.08Å; V86-V117 HydrophobicContact CG2-CG1 3.92Å; V86-V119 HydrophobicContact CG1-CB 4.42Å; V86-V119 HydrophobicContact CG1-CG2 3.65Å; V86-V161 HydrophobicContact CG1-CG1 4.03Å; V86-V161 HydrophobicContact CG2-CG1 3.93Å; V86-F162 HydrophobicContact CG2-CE1 4.13Å; V86-L165 HydrophobicContact CG2-CD1 3.5Å; V86-L165 VanDerWaalsContact CG2-CD1 3.5Å |
| 87 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.5 | 171.2 | -67.9 | 165.4 | 0 | 0 | 0 | 108.8 | V15 I100 W103 R104 T116 V117 L118 V119 L145 | V15-L87 HydrophobicContact CG2-CD2 3.7Å; L87-I100 HydrophobicContact CB-CD1 4.22Å; L87-I100 HydrophobicContact CD1-CG2 4.34Å; L87-W103 HydrophobicContact CD2-CB 3.86Å; L87-R104 HydrophobicContact CD1-CB 3.95Å; L87-R104 HydrophobicContact CD1-CG 4.31Å; L87-R104 HydrophobicContact CD2-CB 4.13Å; L87-T116 HydrophobicContact CD1-CG2 3.54Å; L87-T116 HydrophobicContact CG-CG2 3.87Å; L87-V117 PolarHBondContact N-O 2.88Å; L87-L118 HydrophobicContact CB-CD1 3.97Å; L87-L118 CarbonylContact O-C 3.59Å; L87-V119 PolarHBondContact O-N 3.34Å; L87-L145 HydrophobicContact CD1-CD1 3.7Å |
| 88 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.7 | -174.8 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | V14 V15 G16 V20 K22 M25 V86 V119 N121 | V14-V88 HydrophobicContact CG1-CG2 3.73Å; V15-V88 PolarHBondContact O-N 3.38Å; G16-V88 WeakPolarHBondContact CA-O 3.28Å; V20-V88 HydrophobicContact CB-CG1 4.27Å; V20-V88 HydrophobicContact CG2-CB 3.99Å; V20-V88 HydrophobicContact CG2-CG1 3.81Å; K22-V88 HydrophobicContact CG-CB 4.3Å; K22-V88 HydrophobicContact CG-CG2 4.36Å; M25-V88 HydrophobicContact CE-CG1 4.45Å; M25-V88 HydrophobicContact CE-CG2 4.41Å; M25-V88 HydrophobicContact SD-CG2 4.48Å; V86-V88 HydrophobicContact CB-CG2 4.48Å; V86-V88 HydrophobicContact CG1-CG2 3.61Å; V88-V119 WeakPolarHBondContact CA-O 3.38Å; V88-V119 HydrophobicContact CG2-CB 4.47Å; V88-N121 HydrophobicContact CG1-CB 3.93Å |
| 89 | F | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 162.8 | 162.6 | 67 | -86.1 | 0 | 0 | 0 | 110.4 | S96 Y97 I100 L118 V119 Q120 N121 I131 A136 L139 F147 | F89-S96 WeakPolarHBondContact CB-OG 3.23Å; F89-Y97 HydrophobicContact CD2-CD2 4.25Å; F89-Y97 AromaticContact CE2-CD2 3.99Å; F89-Y97 HydrophobicContact CE2-CD2 3.99Å; F89-Y97 HydrophobicContact CZ-CD2 4.11Å; F89-I100 HydrophobicContact CB-CD1 3.99Å; F89-I100 HydrophobicContact CB-CG1 4.17Å; F89-I100 HydrophobicContact CD1-CD1 3.93Å; F89-I100 HydrophobicContact CD1-CG1 3.93Å; F89-I100 HydrophobicContact CG-CD1 4.43Å; F89-I100 HydrophobicContact CG-CG1 4.38Å; F89-L118 HydrophobicContact CD1-CD1 3.9Å; F89-L118 HydrophobicContact CE1-CD1 3.84Å; F89-L118 HydrophobicContact CE1-CD2 4.22Å; F89-L118 HydrophobicContact CE1-CG 3.98Å; F89-V119 WeakPolarHBondContact CD1-O 3.45Å; F89-V119 PolarHBondContact N-O 3.41Å; F89-Q120 HydrophobicContact CD2-CB 4.42Å; F89-Q120 HydrophobicContact CD2-CG 4.3Å; F89-Q120 HydrophobicContact CE1-CB 4.07Å; F89-Q120 HydrophobicContact CE2-CB 3.65Å; F89-Q120 HydrophobicContact CE2-CG 3.55Å; F89-Q120 HydrophobicContact CZ-CB 3.47Å; F89-Q120 VanDerWaalsContact CZ-CB 3.47Å; F89-Q120 HydrophobicContact CZ-CG 3.89Å; F89-N121 PolarHBondContact O-N 3.06Å; F89-I131 HydrophobicContact CD2-CD1 3.53Å; F89-I131 HydrophobicContact CE2-CD1 3.58Å; F89-I131 HydrophobicContact CE2-CG2 4.38Å; F89-A136 HydrophobicContact CZ-CB 4.25Å; F89-L139 HydrophobicContact CE1-CD2 4.41Å; F89-F147 HydrophobicContact CE1-CE2 4.11Å; F89-F147 HydrophobicContact CZ-CE2 4.05Å; F89-F147 HydrophobicContact CZ-CZ 4.36Å |
| 90 | S | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139.5 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | T92 D93 S96 K122 I131 | S90-T92 PolarHBondContact O-N 2.89Å; S90-T92 VanDerWaalsContact O-N 3.11Å; S90-T92 PolarHBondContact OG-N 3.34Å; S90-T92 PolarHBondContact OG-OG1 3.21Å; S90-T92 VanDerWaalsContact OG-OG1 3.06Å; S90-D93 PolarHBondContact O-N 3.12Å; S90-S96 PolarHBondContact N-OG 2.77Å; S90-K122 VanDerWaalsContact OG-CD 3.29Å; S90-K122 WeakPolarHBondContact OG-CD 3.41Å; S90-K122 WeakPolarHBondContact OG-CE 3.49Å; S90-I131 VanDerWaalsContact O-CD1 3.27Å; S90-I131 WeakPolarHBondContact O-CD1 3.47Å |
| 91 | T | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.6 | 177.3 | -159.3 | 0 | 0 | 0 | 0 | 113.1 | Q120 N121 K122 L125 T129 V130 | T91-Q120 PolarHBondContact OG1-NE2 3.04Å; T91-N121 PolarHBondContact N-O 3.45Å; T91-K122 HydrophobicContact CG2-CB 4.34Å; T91-K122 WeakPolarHBondContact CG2-O 3.46Å; T91-L125 HydrophobicContact CG2-CB 4.37Å; T91-T129 WeakPolarHBondContact O-CA 3.27Å; T91-T129 PolarHBondContact O-OG1 3.06Å; T91-T129 VanDerWaalsContact O-OG1 3.1Å; T91-T129 WeakPolarHBondContact OG1-CB 3.42Å; T91-T129 PolarHBondContact OG1-OG1 3.27Å; T91-V130 PolarHBondContact O-N 3.17Å |
| 92 | T | 97.9 | Very high | 97.4 | Very high | 42 Ų | 42 | 33 Ų | 33 | 26% | 0.258 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 7.9 | -178.6 | 58.9 | 0 | 0 | 0 | 0 | 114 | S90 L125 E128 | S90-T92 PolarHBondContact O-N 2.89Å; S90-T92 VanDerWaalsContact O-N 3.11Å; S90-T92 PolarHBondContact OG-N 3.34Å; S90-T92 PolarHBondContact OG-OG1 3.21Å; S90-T92 VanDerWaalsContact OG-OG1 3.06Å; T92-L125 HydrophobicContact CG2-CB 3.74Å; T92-L125 HydrophobicContact CG2-CD1 4.09Å; T92-E128 HydrophobicContact CG2-CB 3.86Å |
| 93 | D | 97.6 | Very high | 97.3 | Very high | 42 Ų | 42 | 33.4 Ų | 33.4 | 23% | 0.225 | 16% | 0.162 | C | C | . | . | trans | -132.8 | 102.3 | -175.9 | -179.6 | -13.9 | 0 | 0 | 0 | 111.2 | S90 E95 S96 Y97 | S90-D93 PolarHBondContact O-N 3.12Å; D93-E95 PolarHBondContact OD1-N 3.23Å; D93-S96 WeakPolarHBondContact CB-OG 3.17Å; D93-S96 PolarHBondContact O-N 2.67Å; D93-S96 PolarHBondContact O-OG 2.99Å; D93-S96 PolarHBondContact OD1-N 3.31Å; D93-S96 WeakPolarHBondContact OD2-CB 3.45Å; D93-Y97 PolarHBondContact O-N 3.23Å | ||
| 94 | R | 97.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 34.1 Ų | 34.1 | 36% | 0.358 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.1 | -38 | -178.8 | -175.8 | 64.8 | 179.3 | -159 | 16.6 | 112.8 | S96 Y97 Q98 V130 E135 | R94-S96 VanDerWaalsContact C-N 3.33Å; R94-Y97 PolarHBondContact O-N 2.8Å; R94-Q98 WeakPolarHBondContact O-CG 3.31Å; R94-Q98 PolarHBondContact O-N 2.91Å; R94-Q98 VanDerWaalsContact O-N 3.11Å; R94-V130 HydrophobicContact CB-CG2 3.93Å; R94-V130 PolarHBondContact NH1-O 2.96Å; R94-E135 IonicContact CZ-OE1 3.36Å; R94-E135 IonicContact CZ-OE2 2.75Å; R94-E135 VanDerWaalsContact CZ-OE2 3.23Å; R94-E135 IonicContact NH1-OE1 3.68Å; R94-E135 PolarHBondContact NH1-OE1 2.81Å; R94-E135 IonicContact NH1-OE2 2.72Å; R94-E135 PolarHBondContact NH1-OE2 2.72Å; R94-E135 IonicContact NH2-OE1 3.16Å; R94-E135 IonicContact NH2-OE2 2.79Å; R94-E135 PolarHBondContact NH2-OE2 2.99Å |
| 95 | E | 96.8 | Very high | 97 | Very high | 140 Ų | 140 | 40.4 Ų | 40.4 | 65% | 0.654 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -67.4 | -39.1 | -178.7 | -64.7 | -177 | 177.5 | 0 | 0 | 110.3 | D93 Y97 Q98 A99 | D93-E95 PolarHBondContact OD1-N 3.23Å; E95-Y97 VanDerWaalsContact C-N 3.29Å; E95-Y97 PolarHBondContact O-N 2.91Å; E95-Q98 PolarHBondContact O-N 2.88Å; E95-A99 WeakPolarHBondContact O-CB 3.16Å; E95-A99 PolarHBondContact O-N 2.9Å |
| 96 | S | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | 175.8 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | V20 F89 S90 D93 R94 | V20-S96 VanDerWaalsContact CG1-CB 3.49Å; F89-S96 WeakPolarHBondContact CB-OG 3.23Å; S90-S96 PolarHBondContact N-OG 2.77Å; D93-S96 WeakPolarHBondContact CB-OG 3.17Å; D93-S96 PolarHBondContact O-N 2.67Å; D93-S96 PolarHBondContact O-OG 2.99Å; D93-S96 PolarHBondContact OD1-N 3.31Å; D93-S96 WeakPolarHBondContact OD2-CB 3.45Å; R94-S96 VanDerWaalsContact C-N 3.33Å |
| 97 | Y | 98.3 | Very high | 96.5 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 13% | 0.125 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.9 | -44.9 | 174.8 | 164.5 | -96.6 | 0 | 0 | 0 | 111.8 | F89 D93 R94 E95 A99 I100 I131 E135 L139 | F89-Y97 HydrophobicContact CD2-CD2 4.25Å; F89-Y97 AromaticContact CE2-CD2 3.99Å; F89-Y97 HydrophobicContact CE2-CD2 3.99Å; F89-Y97 HydrophobicContact CZ-CD2 4.11Å; D93-Y97 PolarHBondContact O-N 3.23Å; R94-Y97 PolarHBondContact O-N 2.8Å; E95-Y97 VanDerWaalsContact C-N 3.29Å; E95-Y97 PolarHBondContact O-N 2.91Å; Y97-A99 PolarHBondContact O-N 3.18Å; Y97-I100 WeakPolarHBondContact O-CG1 3.41Å; Y97-I100 PolarHBondContact O-N 2.74Å; Y97-I131 HydrophobicContact CD2-CD1 4.41Å; Y97-I131 HydrophobicContact CD2-CG2 4.19Å; Y97-I131 HydrophobicContact CE2-CG2 4.39Å; Y97-I131 HydrophobicContact CG-CD1 4.16Å; Y97-I131 HydrophobicContact CG-CG1 4.4Å; Y97-E135 HydrophobicContact CE2-CG 4.5Å; Y97-E135 PolarHBondContact OH-O 2.82Å; Y97-L139 HydrophobicContact CD2-CD2 3.68Å; Y97-L139 HydrophobicContact CE2-CB 3.94Å; Y97-L139 HydrophobicContact CE2-CD2 3.36Å; Y97-L139 HydrophobicContact CE2-CG 4.22Å |
| 98 | Q | 97.6 | Very high | 96.3 | Very high | 116 Ų | 116 | 46.4 Ų | 46.4 | 54% | 0.542 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.3 | -27.6 | 178.9 | -71 | 173.8 | -27.3 | 0 | 0 | 112.6 | R94 E95 I100 | R94-Q98 WeakPolarHBondContact O-CG 3.31Å; R94-Q98 PolarHBondContact O-N 2.91Å; R94-Q98 VanDerWaalsContact O-N 3.11Å; E95-Q98 PolarHBondContact O-N 2.88Å; Q98-I100 VanDerWaalsContact C-N 3.31Å; Q98-I100 PolarHBondContact O-N 3Å |
| 99 | A | 96.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N17 E95 Y97 D101 N102 W103 | N17-A99 WeakPolarHBondContact OD1-CB 3.42Å; E95-A99 WeakPolarHBondContact O-CB 3.16Å; E95-A99 PolarHBondContact O-N 2.9Å; Y97-A99 PolarHBondContact O-N 3.18Å; A99-D101 VanDerWaalsContact C-N 3.32Å; A99-D101 PolarHBondContact O-N 3.36Å; A99-N102 WeakPolarHBondContact O-CB 3.49Å; A99-N102 PolarHBondContact O-N 3.39Å; A99-N102 VanDerWaalsContact O-N 3.09Å; A99-W103 PolarHBondContact O-N 3.5Å |
| 100 | I | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -40.4 | -172.4 | -70.4 | -65.5 | 0 | 0 | 0 | 113.1 | L87 F89 Y97 Q98 W103 R104 L118 L139 L143 | L87-I100 HydrophobicContact CB-CD1 4.22Å; L87-I100 HydrophobicContact CD1-CG2 4.34Å; F89-I100 HydrophobicContact CB-CD1 3.99Å; F89-I100 HydrophobicContact CB-CG1 4.17Å; F89-I100 HydrophobicContact CD1-CD1 3.93Å; F89-I100 HydrophobicContact CD1-CG1 3.93Å; F89-I100 HydrophobicContact CG-CD1 4.43Å; F89-I100 HydrophobicContact CG-CG1 4.38Å; Y97-I100 WeakPolarHBondContact O-CG1 3.41Å; Y97-I100 PolarHBondContact O-N 2.74Å; Q98-I100 VanDerWaalsContact C-N 3.31Å; Q98-I100 PolarHBondContact O-N 3Å; I100-W103 PolarHBondContact O-N 3.3Å; I100-R104 WeakPolarHBondContact O-CB 3.38Å; I100-R104 PolarHBondContact O-N 2.93Å; I100-L118 HydrophobicContact CD1-CD1 3.97Å; I100-L118 HydrophobicContact CG1-CD1 4.22Å; I100-L118 HydrophobicContact CG2-CD1 3.81Å; I100-L139 HydrophobicContact CB-CD2 4.25Å; I100-L139 HydrophobicContact CG1-CD2 4.3Å; I100-L139 HydrophobicContact CG2-CD2 4.19Å; I100-L143 HydrophobicContact CG2-CD1 3.8Å |
| 101 | D | 96.4 | Very high | 95.8 | Very high | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 177.4 | -73.5 | -70.8 | 0 | 0 | 0 | 111.4 | A99 W103 R104 E105 R142 | A99-D101 VanDerWaalsContact C-N 3.32Å; A99-D101 PolarHBondContact O-N 3.36Å; D101-W103 PolarHBondContact O-N 3.44Å; D101-R104 PolarHBondContact O-N 2.9Å; D101-E105 WeakPolarHBondContact O-CB 3.5Å; D101-E105 PolarHBondContact O-N 2.97Å; D101-R142 IonicContact OD1-CZ 3.12Å; D101-R142 IonicContact OD1-NH1 3.56Å; D101-R142 PolarHBondContact OD1-NH1 3.03Å; D101-R142 IonicContact OD1-NH2 3.66Å; D101-R142 PolarHBondContact OD1-NH2 3.39Å; D101-R142 IonicContact OD2-CZ 3.53Å; D101-R142 IonicContact OD2-NH1 2.94Å; D101-R142 IonicContact OD2-NH2 3.05Å; D101-R142 PolarHBondContact OD2-NH2 3.43Å |
| 102 | N | 94.2 | Very high | 95.7 | Very high | 96 Ų | 96 | 56.4 Ų | 56.4 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 178.2 | -61.1 | -11.8 | 0 | 0 | 0 | 111.1 | A99 R104 E105 K106 | A99-N102 WeakPolarHBondContact O-CB 3.49Å; A99-N102 PolarHBondContact O-N 3.39Å; A99-N102 VanDerWaalsContact O-N 3.09Å; N102-R104 VanDerWaalsContact C-N 3.32Å; N102-R104 PolarHBondContact O-N 2.95Å; N102-E105 PolarHBondContact O-N 2.78Å; N102-K106 WeakPolarHBondContact O-CG 3.44Å; N102-K106 PolarHBondContact O-N 3.36Å |
| 103 | W | 94.2 | Very high | 95.5 | Very high | 14 Ų | 14 | 60 Ų | 60 | 5% | 0.053 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 177 | -79.2 | 113.5 | 0 | 0 | 0 | 112.4 | V15 G16 N17 E69 Y79 L87 A99 I100 D101 K106 V107 | V15-W103 HydrophobicContact CB-CD2 4.46Å; V15-W103 HydrophobicContact CB-CE3 3.68Å; V15-W103 HydrophobicContact CB-CZ3 3.86Å; V15-W103 HydrophobicContact CG1-CE3 4.34Å; V15-W103 HydrophobicContact CG1-CZ3 4.24Å; V15-W103 HydrophobicContact CG2-CE3 4.4Å; G16-W103 VanDerWaalsContact CA-CE2 3.49Å; G16-W103 WeakPolarHBondContact O-CH2 3.38Å; G16-W103 WeakPolarHBondContact O-CZ2 3.08Å; N17-W103 PolarHBondContact OD1-NE1 3.13Å; E69-W103 HydrophobicContact CG-CH2 3.18Å; E69-W103 HydrophobicContact CG-CZ2 3.94Å; E69-W103 HydrophobicContact CG-CZ3 3.73Å; E69-W103 VanDerWaalsContact OE1-CH2 3.24Å; E69-W103 WeakPolarHBondContact OE1-CH2 3.37Å; E69-W103 WeakPolarHBondContact OE1-CZ3 3.09Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.43Å; L87-W103 HydrophobicContact CD2-CB 3.86Å; A99-W103 PolarHBondContact O-N 3.5Å; I100-W103 PolarHBondContact O-N 3.3Å; D101-W103 PolarHBondContact O-N 3.44Å; W103-K106 PolarHBondContact O-N 2.74Å; W103-V107 PolarHBondContact O-N 2.97Å |
| 104 | R | 95.1 | Very high | 95.5 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 175.5 | 179.5 | 175.8 | 170.4 | -114.4 | -8.8 | 111.2 | L87 I100 D101 N102 K106 V107 E108 | L87-R104 HydrophobicContact CD1-CB 3.95Å; L87-R104 HydrophobicContact CD1-CG 4.31Å; L87-R104 HydrophobicContact CD2-CB 4.13Å; I100-R104 WeakPolarHBondContact O-CB 3.38Å; I100-R104 PolarHBondContact O-N 2.93Å; D101-R104 PolarHBondContact O-N 2.9Å; N102-R104 VanDerWaalsContact C-N 3.32Å; N102-R104 PolarHBondContact O-N 2.95Å; R104-K106 VanDerWaalsContact C-N 3.32Å; R104-K106 PolarHBondContact O-N 2.97Å; R104-V107 PolarHBondContact O-N 2.91Å; R104-E108 HydrophobicContact CG-CG 4.22Å; R104-E108 IonicContact CZ-OE1 3.51Å; R104-E108 IonicContact CZ-OE2 3.51Å; R104-E108 IonicContact NE-OE1 3.44Å; R104-E108 PolarHBondContact NE-OE1 2.89Å; R104-E108 IonicContact NE-OE2 2.73Å; R104-E108 IonicContact NH2-OE1 3.96Å; R104-E108 PolarHBondContact NH2-OE1 2.92Å; R104-E108 IonicContact NH2-OE2 3.74Å; R104-E108 PolarHBondContact NH2-OE2 3.27Å; R104-E108 WeakPolarHBondContact O-CG 3.4Å; R104-E108 PolarHBondContact O-N 2.83Å |
| 105 | E | 94.1 | Very high | 95.5 | Very high | 131 Ų | 131 | 55.1 Ų | 55.1 | 61% | 0.612 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.7 | -43.2 | 179.6 | -175.7 | 176.9 | -172.1 | 0 | 0 | 111.7 | D101 N102 V107 E108 A109 | D101-E105 WeakPolarHBondContact O-CB 3.5Å; D101-E105 PolarHBondContact O-N 2.97Å; N102-E105 PolarHBondContact O-N 2.78Å; E105-V107 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 2.74Å; E105-E108 PolarHBondContact O-N 2.99Å; E105-A109 VanDerWaalsContact O-CB 3.23Å; E105-A109 WeakPolarHBondContact O-CB 3.47Å; E105-A109 PolarHBondContact O-N 2.71Å |
| 106 | K | 91.7 | Very high | 95.5 | Very high | 69 Ų | 69 | 49 Ų | 49 | 30% | 0.3 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 177.9 | -69.1 | -173.6 | -178.8 | -158.4 | 0 | 112.9 | E69 D72 Y79 N102 W103 R104 | E69-K106 WeakPolarHBondContact OE2-CD 3.31Å; E69-K106 WeakPolarHBondContact OE2-CE 3.41Å; E69-K106 IonicContact OE2-NZ 2.98Å; E69-K106 PolarHBondContact OE2-NZ 3.09Å; D72-K106 IonicContact OD1-NZ 2.67Å; D72-K106 PolarHBondContact OD1-NZ 3.31Å; Y79-K106 HydrophobicContact CE2-CB 3.9Å; N102-K106 WeakPolarHBondContact O-CG 3.44Å; N102-K106 PolarHBondContact O-N 3.36Å; W103-K106 PolarHBondContact O-N 2.74Å; R104-K106 VanDerWaalsContact C-N 3.32Å; R104-K106 PolarHBondContact O-N 2.97Å |
| 107 | V | 93.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.2 | -48.7 | 176.4 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | V13 V15 Y79 C85 W103 R104 E105 A109 E110 V111 I114 | V13-V107 HydrophobicContact CG2-CG1 4.47Å; V15-V107 HydrophobicContact CG1-CG2 4.21Å; V15-V107 HydrophobicContact CG2-CG2 4.13Å; Y79-V107 HydrophobicContact CD1-CG2 4.46Å; Y79-V107 HydrophobicContact CD2-CG2 4.24Å; Y79-V107 HydrophobicContact CE1-CG2 4.37Å; Y79-V107 HydrophobicContact CE2-CG2 4.09Å; Y79-V107 HydrophobicContact CG-CG2 4.41Å; C85-V107 HydrophobicContact CB-CG1 4.28Å; W103-V107 PolarHBondContact O-N 2.97Å; R104-V107 PolarHBondContact O-N 2.91Å; E105-V107 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 2.74Å; V107-A109 VanDerWaalsContact C-N 3.26Å; V107-A109 PolarHBondContact O-N 3.38Å; V107-E110 PolarHBondContact O-N 3.39Å; V107-V111 HydrophobicContact CG1-CG2 3.79Å; V107-V111 VanDerWaalsContact O-CG2 3.31Å; V107-V111 WeakPolarHBondContact O-CG2 3.47Å; V107-V111 PolarHBondContact O-N 3.34Å; V107-I114 HydrophobicContact CG1-CD1 4Å |
| 108 | E | 94.8 | Very high | 95.7 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -32.3 | -179.1 | -72.3 | -175.5 | 167 | 0 | 0 | 112.6 | R104 E105 E110 G112 | R104-E108 HydrophobicContact CG-CG 4.22Å; R104-E108 IonicContact CZ-OE1 3.51Å; R104-E108 IonicContact CZ-OE2 3.51Å; R104-E108 IonicContact NE-OE1 3.44Å; R104-E108 PolarHBondContact NE-OE1 2.89Å; R104-E108 IonicContact NE-OE2 2.73Å; R104-E108 IonicContact NH2-OE1 3.96Å; R104-E108 PolarHBondContact NH2-OE1 2.92Å; R104-E108 IonicContact NH2-OE2 3.74Å; R104-E108 PolarHBondContact NH2-OE2 3.27Å; R104-E108 WeakPolarHBondContact O-CG 3.4Å; R104-E108 PolarHBondContact O-N 2.83Å; E105-E108 PolarHBondContact O-N 2.99Å; E108-E110 PolarHBondContact O-N 3.44Å; E108-G112 WeakPolarHBondContact O-CA 3.16Å; E108-G112 PolarHBondContact O-N 3.5Å |
| 109 | A | 93.4 | Very high | 95.7 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 69% | 0.686 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.1 | -27 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E105 V107 | E105-A109 VanDerWaalsContact O-CB 3.23Å; E105-A109 WeakPolarHBondContact O-CB 3.47Å; E105-A109 PolarHBondContact O-N 2.71Å; V107-A109 VanDerWaalsContact C-N 3.26Å; V107-A109 PolarHBondContact O-N 3.38Å |
| 110 | E | 94.1 | Very high | 95.8 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -96.7 | -41.1 | -179.1 | -173.5 | 65.2 | -154.2 | 0 | 0 | 112.8 | Y79 R80 V107 E108 | Y79-E110 HydrophobicContact CD2-CB 4.44Å; R80-E110 HydrophobicContact CB-CG 4.41Å; V107-E110 PolarHBondContact O-N 3.39Å; E108-E110 PolarHBondContact O-N 3.44Å |
| 111 | V | 95.3 | Very high | 95.9 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 22% | 0.218 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -121.9 | 1.6 | -172 | -64.7 | 0 | 0 | 0 | 0 | 114.7 | Y79 A82 V107 I114 | Y79-V111 WeakPolarHBondContact O-CG1 3.22Å; A82-V111 HydrophobicContact CB-CG1 4.44Å; A82-V111 HydrophobicContact CB-CG2 4.48Å; V107-V111 HydrophobicContact CG1-CG2 3.79Å; V107-V111 VanDerWaalsContact O-CG2 3.31Å; V107-V111 WeakPolarHBondContact O-CG2 3.47Å; V107-V111 PolarHBondContact O-N 3.34Å; V111-I114 HydrophobicContact CB-CG2 4.42Å; V111-I114 HydrophobicContact CG2-CD1 3.68Å; V111-I114 HydrophobicContact CG2-CG1 4.14Å; V111-I114 HydrophobicContact CG2-CG2 4.15Å |
| 112 | G | 95.5 | Very high | 96 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 32% | 0.32 | 22% | 0.222 | S | C | . | . | trans | 68.6 | -159.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E108 I114 | E108-G112 WeakPolarHBondContact O-CA 3.16Å; E108-G112 PolarHBondContact O-N 3.5Å; G112-I114 PolarHBondContact O-N 3.28Å | ||
| 113 | N | 94.6 | Very high | 96.2 | Very high | 118 Ų | 118 | 38 Ų | 38 | 63% | 0.631 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -77 | 108.6 | -178.6 | -175.7 | 14.5 | 0 | 0 | 0 | 111.1 | R172 | N113-R172 PolarHBondContact O-NH1 2.84Å; N113-R172 PolarHBondContact O-NH2 3.3Å |
| 114 | I | 97.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | trans | -117.2 | 154.4 | 176.3 | 57.3 | 167.5 | 0 | 0 | 0 | 110.7 | A82 C85 V107 V111 G112 T116 | A82-I114 HydrophobicContact CB-CD1 4.16Å; C85-I114 HydrophobicContact CB-CD1 3.9Å; C85-I114 HydrophobicContact CB-CG1 4.38Å; V107-I114 HydrophobicContact CG1-CD1 4Å; V111-I114 HydrophobicContact CB-CG2 4.42Å; V111-I114 HydrophobicContact CG2-CD1 3.68Å; V111-I114 HydrophobicContact CG2-CG1 4.14Å; V111-I114 HydrophobicContact CG2-CG2 4.15Å; G112-I114 PolarHBondContact O-N 3.28Å; I114-T116 PolarHBondContact O-N 3.4Å; I114-T116 PolarHBondContact O-OG1 2.9Å | ||
| 115 | P | 97.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | trans | -42.8 | 114.3 | 169.4 | -31.1 | 33.7 | 0 | 0 | 0 | 112 | Q83 A84 C85 L165 K168 | Q83-P115 VanDerWaalsContact O-CD 3.32Å; Q83-P115 WeakPolarHBondContact O-CD 3.47Å; A84-P115 CarbonylContact C-O 3.58Å; A84-P115 WeakPolarHBondContact CA-O 3.3Å; A84-P115 HydrophobicContact CB-CB 4.35Å; C85-P115 PolarHBondContact N-O 3.21Å; P115-L165 HydrophobicContact CB-CD2 4.32Å; P115-K168 HydrophobicContact CB-CB 4.02Å; P115-K168 HydrophobicContact CG-CB 4.35Å | ||
| 116 | T | 98.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.5 | -174.6 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | C85 L87 I114 L145 | C85-T116 HydrophobicContact CB-CG2 4.03Å; C85-T116 VanDerWaalsContact O-CA 3.29Å; C85-T116 WeakPolarHBondContact O-CA 3.36Å; L87-T116 HydrophobicContact CD1-CG2 3.54Å; L87-T116 HydrophobicContact CG-CG2 3.87Å; I114-T116 PolarHBondContact O-N 3.4Å; I114-T116 PolarHBondContact O-OG1 2.9Å; T116-L145 HydrophobicContact CG2-CD1 3.97Å; T116-L145 HydrophobicContact CG2-CD2 4.19Å |
| 117 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.8 | 177.4 | 66.8 | 0 | 0 | 0 | 0 | 109.9 | C85 V86 L87 R146 Y148 V161 Y164 L165 | C85-V117 PolarHBondContact O-N 3.31Å; V86-V117 HydrophobicContact CB-CG1 4.21Å; V86-V117 HydrophobicContact CG1-CG1 4.08Å; V86-V117 HydrophobicContact CG2-CG1 3.92Å; L87-V117 PolarHBondContact N-O 2.88Å; V117-R146 HydrophobicContact CG2-CB 4.22Å; V117-R146 HydrophobicContact CG2-CG 4.34Å; V117-R146 WeakPolarHBondContact CG2-O 3.29Å; V117-Y148 HydrophobicContact CG2-CD2 3.52Å; V117-Y148 HydrophobicContact CG2-CE2 3.82Å; V117-V161 HydrophobicContact CG1-CG1 3.85Å; V117-Y164 HydrophobicContact CB-CD1 4.01Å; V117-Y164 HydrophobicContact CB-CE1 4.02Å; V117-Y164 HydrophobicContact CG2-CD1 4Å; V117-Y164 HydrophobicContact CG2-CE1 4.19Å; V117-L165 HydrophobicContact CB-CD2 4.07Å; V117-L165 HydrophobicContact CB-CG 4.46Å; V117-L165 HydrophobicContact CG1-CD1 3.84Å; V117-L165 HydrophobicContact CG1-CD2 3.89Å; V117-L165 HydrophobicContact CG1-CG 3.9Å |
| 118 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134 | 176.1 | -178.3 | 64.5 | 0 | 0 | 0 | 109.7 | L87 F89 I100 L139 A140 L145 R146 F147 Y148 | L87-L118 HydrophobicContact CB-CD1 3.97Å; L87-L118 CarbonylContact O-C 3.59Å; F89-L118 HydrophobicContact CD1-CD1 3.9Å; F89-L118 HydrophobicContact CE1-CD1 3.84Å; F89-L118 HydrophobicContact CE1-CD2 4.22Å; F89-L118 HydrophobicContact CE1-CG 3.98Å; I100-L118 HydrophobicContact CD1-CD1 3.97Å; I100-L118 HydrophobicContact CG1-CD1 4.22Å; I100-L118 HydrophobicContact CG2-CD1 3.81Å; L118-L139 HydrophobicContact CD2-CD2 3.95Å; L118-L139 HydrophobicContact CD2-CG 3.94Å; L118-A140 HydrophobicContact CD2-CB 4.1Å; L118-L145 HydrophobicContact CB-CB 4.3Å; L118-L145 HydrophobicContact CB-CD1 4.34Å; L118-R146 PolarHBondContact N-O 3.11Å; L118-F147 HydrophobicContact CB-CD2 4.13Å; L118-F147 HydrophobicContact CD2-CD2 3.89Å; L118-F147 HydrophobicContact CD2-CE2 4.32Å; L118-F147 HydrophobicContact CG-CD2 3.82Å; L118-F147 HydrophobicContact CG-CE2 4.27Å; L118-F147 WeakPolarHBondContact O-CA 3.13Å; L118-Y148 PolarHBondContact O-N 3.47Å |
| 119 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.1 | -179.6 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | M25 V86 L87 V88 F89 Y148 A150 V161 | M25-V119 HydrophobicContact CE-CB 4.46Å; M25-V119 HydrophobicContact CE-CG1 3.74Å; V86-V119 HydrophobicContact CG1-CB 4.42Å; V86-V119 HydrophobicContact CG1-CG2 3.65Å; L87-V119 PolarHBondContact O-N 3.34Å; V88-V119 WeakPolarHBondContact CA-O 3.38Å; V88-V119 HydrophobicContact CG2-CB 4.47Å; F89-V119 WeakPolarHBondContact CD1-O 3.45Å; F89-V119 PolarHBondContact N-O 3.41Å; V119-Y148 CarbonylContact C-O 3.6Å; V119-Y148 VanDerWaalsContact CA-O 3.31Å; V119-Y148 WeakPolarHBondContact CA-O 3.38Å; V119-A150 HydrophobicContact CG1-CB 3.71Å; V119-V161 HydrophobicContact CG2-CG1 4.1Å; V119-V161 HydrophobicContact CG2-CG2 3.72Å |
| 120 | Q | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 106.5 | 161.7 | 178.9 | 178.3 | 8.2 | 0 | 0 | 107.8 | F89 T91 I123 F147 Y148 R149 A150 | F89-Q120 HydrophobicContact CD2-CB 4.42Å; F89-Q120 HydrophobicContact CD2-CG 4.3Å; F89-Q120 HydrophobicContact CE1-CB 4.07Å; F89-Q120 HydrophobicContact CE2-CB 3.65Å; F89-Q120 HydrophobicContact CE2-CG 3.55Å; F89-Q120 HydrophobicContact CZ-CB 3.47Å; F89-Q120 VanDerWaalsContact CZ-CB 3.47Å; F89-Q120 HydrophobicContact CZ-CG 3.89Å; T91-Q120 PolarHBondContact OG1-NE2 3.04Å; Q120-I123 HydrophobicContact CG-CG2 4.23Å; Q120-F147 HydrophobicContact CB-CE2 3.66Å; Q120-F147 HydrophobicContact CB-CZ 3.71Å; Q120-Y148 PolarHBondContact N-O 2.92Å; Q120-R149 HydrophobicContact CB-CG 4.3Å; Q120-R149 CarbonylContact O-C 3.54Å; Q120-R149 WeakPolarHBondContact O-CA 3.47Å; Q120-R149 VanDerWaalsContact OE1-NE 3.14Å; Q120-A150 PolarHBondContact O-N 2.89Å |
| 121 | N | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 169.1 | 179.5 | -167.2 | 26.5 | 0 | 0 | 0 | 112.2 | V20 V88 F89 T91 A150 V152 | V20-N121 PolarHBondContact O-ND2 3.19Å; V88-N121 HydrophobicContact CG1-CB 3.93Å; F89-N121 PolarHBondContact O-N 3.06Å; T91-N121 PolarHBondContact N-O 3.45Å; N121-A150 CarbonylContact C-O 3.59Å; N121-A150 VanDerWaalsContact CA-O 3.31Å; N121-A150 WeakPolarHBondContact CA-O 3.14Å; N121-A150 PolarHBondContact OD1-O 3.06Å; N121-V152 WeakPolarHBondContact OD1-CG2 3.37Å; N121-V152 PolarHBondContact OD1-N 3.23Å |
| 122 | K | 98 | Very high | 97.3 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 24% | 0.239 | 26% | 0.262 | C | S | . | . | trans | 64.8 | 34.6 | 177.7 | -46.8 | -167.1 | -163.8 | 172.3 | 0 | 113.8 | A19 S90 T91 D124 L125 A150 | A19-K122 VanDerWaalsContact O-CE 3.23Å; A19-K122 WeakPolarHBondContact O-CE 3.46Å; A19-K122 PolarHBondContact O-NZ 2.81Å; S90-K122 VanDerWaalsContact OG-CD 3.29Å; S90-K122 WeakPolarHBondContact OG-CD 3.41Å; S90-K122 WeakPolarHBondContact OG-CE 3.49Å; T91-K122 HydrophobicContact CG2-CB 4.34Å; T91-K122 WeakPolarHBondContact CG2-O 3.46Å; K122-D124 WeakPolarHBondContact CA-OD1 3.26Å; K122-D124 PolarHBondContact O-N 3.23Å; K122-D124 VanDerWaalsContact O-N 3.13Å; K122-L125 HydrophobicContact CB-CD1 4.38Å; K122-L125 HydrophobicContact CD-CD1 4.42Å; K122-L125 WeakPolarHBondContact O-CB 3.09Å; K122-L125 PolarHBondContact O-N 2.92Å; K122-A150 PolarHBondContact N-O 3.25Å | ||
| 123 | I | 98.1 | Very high | 97.3 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -67.2 | -9.7 | 178.3 | 68.5 | 178.4 | 0 | 0 | 0 | 113.8 | Q120 L125 L126 R149 A150 L156 | Q120-I123 HydrophobicContact CG-CG2 4.23Å; I123-L125 PolarHBondContact O-N 2.79Å; I123-L126 HydrophobicContact CB-CD1 4.06Å; I123-L126 HydrophobicContact CB-CG 4.02Å; I123-L126 WeakPolarHBondContact O-CB 3.24Å; I123-L126 WeakPolarHBondContact O-CD1 3.4Å; I123-L126 WeakPolarHBondContact O-CG 3.4Å; I123-L126 PolarHBondContact O-N 2.87Å; I123-R149 HydrophobicContact CD1-CB 3.96Å; I123-R149 WeakPolarHBondContact CD1-O 3.45Å; I123-R149 HydrophobicContact CG2-CB 3.98Å; I123-R149 HydrophobicContact CG2-CG 4.49Å; I123-A150 WeakPolarHBondContact CG1-O 3.47Å; I123-A150 PolarHBondContact N-O 2.82Å; I123-L156 HydrophobicContact CD1-CD2 3.77Å |
| 124 | D | 97.6 | Very high | 97.4 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -62.1 | -14.7 | 163.8 | 53.5 | -72.1 | 0 | 0 | 0 | 113 | K122 S151 K153 E154 | K122-D124 WeakPolarHBondContact CA-OD1 3.26Å; K122-D124 PolarHBondContact O-N 3.23Å; K122-D124 VanDerWaalsContact O-N 3.13Å; D124-S151 VanDerWaalsContact CG-OG 3.28Å; D124-S151 WeakPolarHBondContact OD1-CB 3.3Å; D124-S151 PolarHBondContact OD1-OG 3.3Å; D124-K153 WeakPolarHBondContact OD2-CD 3.36Å; D124-E154 HydrophobicContact CB-CG 4.03Å |
| 125 | L | 96.7 | Very high | 97.4 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -110.9 | 33.5 | 175.4 | -54 | 177.7 | 0 | 0 | 0 | 111.8 | T91 T92 K122 I123 E127 E128 T129 | T91-L125 HydrophobicContact CG2-CB 4.37Å; T92-L125 HydrophobicContact CG2-CB 3.74Å; T92-L125 HydrophobicContact CG2-CD1 4.09Å; K122-L125 HydrophobicContact CB-CD1 4.38Å; K122-L125 HydrophobicContact CD-CD1 4.42Å; K122-L125 WeakPolarHBondContact O-CB 3.09Å; K122-L125 PolarHBondContact O-N 2.92Å; I123-L125 PolarHBondContact O-N 2.79Å; L125-E127 PolarHBondContact O-N 2.88Å; L125-E128 PolarHBondContact O-N 3.02Å; L125-T129 PolarHBondContact O-N 3.4Å |
| 126 | L | 93.4 | Very high | 97.4 | Very high | 78 Ų | 78 | 53.9 Ų | 53.9 | 41% | 0.408 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -60.6 | -26.6 | -180 | -88.5 | 168.5 | 0 | 0 | 0 | 113.4 | I123 E128 T129 | I123-L126 HydrophobicContact CB-CD1 4.06Å; I123-L126 HydrophobicContact CB-CG 4.02Å; I123-L126 WeakPolarHBondContact O-CB 3.24Å; I123-L126 WeakPolarHBondContact O-CD1 3.4Å; I123-L126 WeakPolarHBondContact O-CG 3.4Å; I123-L126 PolarHBondContact O-N 2.87Å; L126-E128 PolarHBondContact O-N 2.86Å; L126-T129 VanDerWaalsContact O-CB 3.24Å; L126-T129 WeakPolarHBondContact O-CB 3.41Å; L126-T129 WeakPolarHBondContact O-CG2 3.44Å; L126-T129 PolarHBondContact O-N 3.21Å |
| 127 | E | 95.9 | Very high | 97.3 | Very high | 201 Ų | 201 | 58.1 Ų | 58.1 | 94% | 0.939 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -65.6 | -27.7 | 174.5 | -63.7 | -176.1 | -178.7 | 0 | 0 | 112.7 | L125 T129 | L125-E127 PolarHBondContact O-N 2.88Å; E127-T129 VanDerWaalsContact C-N 3.34Å |
| 128 | E | 96.3 | Very high | 97.3 | Very high | 125 Ų | 125 | 60.8 Ų | 60.8 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -96 | 12.2 | 177.4 | -61.8 | 175 | -136.3 | 0 | 0 | 112 | T92 L125 L126 V130 | T92-E128 HydrophobicContact CG2-CB 3.86Å; L125-E128 PolarHBondContact O-N 3.02Å; L126-E128 PolarHBondContact O-N 2.86Å; E128-V130 PolarHBondContact O-N 2.86Å |
| 129 | T | 97.2 | Very high | 97.3 | Very high | 52 Ų | 52 | 61 Ų | 61 | 32% | 0.319 | 31% | 0.309 | S | S | . | . | trans | -64.4 | 136.4 | -174.3 | -167.8 | 0 | 0 | 0 | 0 | 112 | T91 L125 L126 E127 I131 | T91-T129 WeakPolarHBondContact O-CA 3.27Å; T91-T129 PolarHBondContact O-OG1 3.06Å; T91-T129 VanDerWaalsContact O-OG1 3.1Å; T91-T129 WeakPolarHBondContact OG1-CB 3.42Å; T91-T129 PolarHBondContact OG1-OG1 3.27Å; L125-T129 PolarHBondContact O-N 3.4Å; L126-T129 VanDerWaalsContact O-CB 3.24Å; L126-T129 WeakPolarHBondContact O-CB 3.41Å; L126-T129 WeakPolarHBondContact O-CG2 3.44Å; L126-T129 PolarHBondContact O-N 3.21Å; E127-T129 VanDerWaalsContact C-N 3.34Å; T129-I131 PolarHBondContact OG1-N 2.82Å; T129-I131 PolarHBondContact OG1-O 3.39Å; T129-I131 VanDerWaalsContact OG1-O 3.09Å | ||
| 130 | V | 97.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | trans | -107.8 | 12.6 | 172.6 | -60 | 0 | 0 | 0 | 0 | 111.6 | T91 R94 E128 | T91-V130 PolarHBondContact O-N 3.17Å; R94-V130 HydrophobicContact CB-CG2 3.93Å; R94-V130 PolarHBondContact NH1-O 2.96Å; E128-V130 PolarHBondContact O-N 2.86Å | ||
| 131 | I | 97.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -129.2 | 118.6 | -174.9 | -58.8 | 166 | 0 | 0 | 0 | 108.6 | F89 S90 Y97 T129 E135 A136 | F89-I131 HydrophobicContact CD2-CD1 3.53Å; F89-I131 HydrophobicContact CE2-CD1 3.58Å; F89-I131 HydrophobicContact CE2-CG2 4.38Å; S90-I131 VanDerWaalsContact O-CD1 3.27Å; S90-I131 WeakPolarHBondContact O-CD1 3.47Å; Y97-I131 HydrophobicContact CD2-CD1 4.41Å; Y97-I131 HydrophobicContact CD2-CG2 4.19Å; Y97-I131 HydrophobicContact CE2-CG2 4.39Å; Y97-I131 HydrophobicContact CG-CD1 4.16Å; Y97-I131 HydrophobicContact CG-CG1 4.4Å; T129-I131 PolarHBondContact OG1-N 2.82Å; T129-I131 PolarHBondContact OG1-O 3.39Å; T129-I131 VanDerWaalsContact OG1-O 3.09Å; I131-E135 VanDerWaalsContact CA-OE1 3.28Å; I131-E135 WeakPolarHBondContact CA-OE1 3.45Å; I131-E135 HydrophobicContact CG2-CG 3.77Å; I131-A136 HydrophobicContact CG2-CB 4.09Å |
| 132 | K | 96.9 | Very high | 97.2 | Very high | 148 Ų | 148 | 76.1 Ų | 76.1 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | trans | -66.5 | 149.8 | 176.2 | -61.5 | -178.4 | 179.1 | 179.7 | 0 | 110.7 | E134 E135 A136 | K132-E134 VanDerWaalsContact C-N 3.29Å; K132-E134 PolarHBondContact O-N 2.86Å; K132-E135 HydrophobicContact CB-CG 4Å; K132-E135 PolarHBondContact N-OE1 3.48Å; K132-E135 VanDerWaalsContact O-CG 3.28Å; K132-E135 WeakPolarHBondContact O-CG 3.45Å; K132-E135 PolarHBondContact O-N 3.37Å; K132-A136 PolarHBondContact O-N 2.67Å | ||
| 133 | N | 95.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 74 Ų | 74 | 42% | 0.422 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 179.5 | -77.4 | -39.7 | 0 | 0 | 0 | 111.9 | E135 A136 E137 R149 | N133-E135 VanDerWaalsContact C-N 3.33Å; N133-E135 PolarHBondContact O-N 3.37Å; N133-A136 PolarHBondContact O-N 2.98Å; N133-E137 WeakPolarHBondContact O-CG 3.11Å; N133-E137 PolarHBondContact O-N 3.4Å; N133-E137 VanDerWaalsContact O-N 3.12Å; N133-R149 PolarHBondContact O-NH2 2.89Å; N133-R149 PolarHBondContact OD1-NH2 3.24Å |
| 134 | E | 97.5 | Very high | 97.1 | Very high | 136 Ų | 136 | 82 Ų | 82 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.2 | -34.8 | -177.6 | -57.4 | 74.2 | -159.8 | 0 | 0 | 111.6 | K132 A138 | K132-E134 VanDerWaalsContact C-N 3.29Å; K132-E134 PolarHBondContact O-N 2.86Å; E134-A138 WeakPolarHBondContact O-CB 3.07Å; E134-A138 PolarHBondContact O-N 2.94Å |
| 135 | E | 97.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 81 Ų | 81 | 17% | 0.173 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -75 | -38.8 | -179.9 | 74.5 | -176.2 | 143.8 | 0 | 0 | 112 | R94 Y97 I131 K132 N133 E137 A138 L139 | R94-E135 IonicContact CZ-OE1 3.36Å; R94-E135 IonicContact CZ-OE2 2.75Å; R94-E135 VanDerWaalsContact CZ-OE2 3.23Å; R94-E135 IonicContact NH1-OE1 3.68Å; R94-E135 PolarHBondContact NH1-OE1 2.81Å; R94-E135 IonicContact NH1-OE2 2.72Å; R94-E135 PolarHBondContact NH1-OE2 2.72Å; R94-E135 IonicContact NH2-OE1 3.16Å; R94-E135 IonicContact NH2-OE2 2.79Å; R94-E135 PolarHBondContact NH2-OE2 2.99Å; Y97-E135 HydrophobicContact CE2-CG 4.5Å; Y97-E135 PolarHBondContact OH-O 2.82Å; I131-E135 VanDerWaalsContact CA-OE1 3.28Å; I131-E135 WeakPolarHBondContact CA-OE1 3.45Å; I131-E135 HydrophobicContact CG2-CG 3.77Å; K132-E135 HydrophobicContact CB-CG 4Å; K132-E135 PolarHBondContact N-OE1 3.48Å; K132-E135 VanDerWaalsContact O-CG 3.28Å; K132-E135 WeakPolarHBondContact O-CG 3.45Å; K132-E135 PolarHBondContact O-N 3.37Å; N133-E135 VanDerWaalsContact C-N 3.33Å; N133-E135 PolarHBondContact O-N 3.37Å; E135-E137 VanDerWaalsContact C-N 3.32Å; E135-E137 PolarHBondContact O-N 2.84Å; E135-A138 PolarHBondContact O-N 3.23Å; E135-L139 WeakPolarHBondContact O-CB 3.36Å; E135-L139 PolarHBondContact O-N 3.32Å |
| 136 | A | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F89 I131 K132 N133 L139 A140 F147 | F89-A136 HydrophobicContact CZ-CB 4.25Å; I131-A136 HydrophobicContact CG2-CB 4.09Å; K132-A136 PolarHBondContact O-N 2.67Å; N133-A136 PolarHBondContact O-N 2.98Å; A136-L139 WeakPolarHBondContact O-CB 3.31Å; A136-L139 PolarHBondContact O-N 3.41Å; A136-A140 PolarHBondContact O-N 3.37Å; A136-A140 VanDerWaalsContact O-N 3.12Å; A136-F147 HydrophobicContact CB-CE1 4.26Å; A136-F147 HydrophobicContact CB-CZ 3.91Å |
| 137 | E | 97.7 | Very high | 97.5 | Very high | 99 Ų | 99 | 82.3 Ų | 82.3 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.7 | -39.2 | 176.7 | -73.1 | 177.6 | -162.8 | 0 | 0 | 112.5 | N133 E135 L139 A140 K141 F147 R149 | N133-E137 WeakPolarHBondContact O-CG 3.11Å; N133-E137 PolarHBondContact O-N 3.4Å; N133-E137 VanDerWaalsContact O-N 3.12Å; E135-E137 VanDerWaalsContact C-N 3.32Å; E135-E137 PolarHBondContact O-N 2.84Å; E137-L139 VanDerWaalsContact C-N 3.31Å; E137-L139 PolarHBondContact O-N 3.28Å; E137-A140 PolarHBondContact O-N 2.75Å; E137-K141 WeakPolarHBondContact O-CB 3.17Å; E137-K141 PolarHBondContact O-N 3.45Å; E137-F147 HydrophobicContact CG-CE1 4.44Å; E137-R149 IonicContact OE1-CZ 3.4Å; E137-R149 IonicContact OE1-NH1 3.75Å; E137-R149 PolarHBondContact OE1-NH1 3.25Å; E137-R149 IonicContact OE1-NH2 2.84Å; E137-R149 PolarHBondContact OE1-NH2 3.11Å; E137-R149 VanDerWaalsContact OE1-NH2 3.12Å |
| 138 | A | 98.1 | Very high | 97.6 | Very high | 57 Ų | 57 | 74.1 Ų | 74.1 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E134 E135 K141 R142 | E134-A138 WeakPolarHBondContact O-CB 3.07Å; E134-A138 PolarHBondContact O-N 2.94Å; E135-A138 PolarHBondContact O-N 3.23Å; A138-K141 PolarHBondContact O-N 2.96Å; A138-R142 VanDerWaalsContact O-CB 3.26Å; A138-R142 WeakPolarHBondContact O-CB 3.21Å; A138-R142 PolarHBondContact O-N 3.09Å |
| 139 | L | 98.1 | Very high | 97.7 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.7 | -52.1 | 174.2 | 176 | 63.5 | 0 | 0 | 0 | 111 | F89 Y97 I100 L118 E135 A136 E137 K141 R142 L143 | F89-L139 HydrophobicContact CE1-CD2 4.41Å; Y97-L139 HydrophobicContact CD2-CD2 3.68Å; Y97-L139 HydrophobicContact CE2-CB 3.94Å; Y97-L139 HydrophobicContact CE2-CD2 3.36Å; Y97-L139 HydrophobicContact CE2-CG 4.22Å; I100-L139 HydrophobicContact CB-CD2 4.25Å; I100-L139 HydrophobicContact CG1-CD2 4.3Å; I100-L139 HydrophobicContact CG2-CD2 4.19Å; L118-L139 HydrophobicContact CD2-CD2 3.95Å; L118-L139 HydrophobicContact CD2-CG 3.94Å; E135-L139 WeakPolarHBondContact O-CB 3.36Å; E135-L139 PolarHBondContact O-N 3.32Å; A136-L139 WeakPolarHBondContact O-CB 3.31Å; A136-L139 PolarHBondContact O-N 3.41Å; E137-L139 VanDerWaalsContact C-N 3.31Å; E137-L139 PolarHBondContact O-N 3.28Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 2.98Å; L139-R142 PolarHBondContact O-N 2.99Å; L139-L143 HydrophobicContact CD1-CD1 3.68Å; L139-L143 HydrophobicContact CD1-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 4.08Å; L139-L143 WeakPolarHBondContact O-CB 3.36Å; L139-L143 WeakPolarHBondContact O-CG 3.33Å; L139-L143 PolarHBondContact O-N 3.01Å |
| 140 | A | 97.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 68.7 Ų | 68.7 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L118 A136 E137 L143 K144 L145 F147 | L118-A140 HydrophobicContact CD2-CB 4.1Å; A136-A140 PolarHBondContact O-N 3.37Å; A136-A140 VanDerWaalsContact O-N 3.12Å; E137-A140 PolarHBondContact O-N 2.75Å; A140-L143 PolarHBondContact O-N 3.33Å; A140-K144 PolarHBondContact O-N 3.1Å; A140-L145 PolarHBondContact O-N 3.35Å; A140-L145 VanDerWaalsContact O-N 3.14Å; A140-F147 HydrophobicContact CB-CB 3.53Å; A140-F147 HydrophobicContact CB-CD1 4.24Å; A140-F147 HydrophobicContact CB-CD2 4.48Å; A140-F147 HydrophobicContact CB-CG 3.86Å |
| 141 | K | 98.1 | Very high | 97.8 | Very high | 174 Ų | 174 | 65.4 Ų | 65.4 | 76% | 0.757 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 179 | -173.4 | 177.2 | -179.5 | 179.4 | 0 | 111.9 | E137 A138 L139 K144 | E137-K141 WeakPolarHBondContact O-CB 3.17Å; E137-K141 PolarHBondContact O-N 3.45Å; A138-K141 PolarHBondContact O-N 2.96Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 2.98Å; K141-K144 PolarHBondContact O-N 3.19Å |
| 142 | R | 97.9 | Very high | 97.8 | Very high | 139 Ų | 139 | 65.3 Ų | 65.3 | 53% | 0.525 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 177.3 | 178.2 | 174.1 | 60.5 | 80.6 | -10.1 | 111.5 | D101 A138 L139 K144 | D101-R142 IonicContact OD1-CZ 3.12Å; D101-R142 IonicContact OD1-NH1 3.56Å; D101-R142 PolarHBondContact OD1-NH1 3.03Å; D101-R142 IonicContact OD1-NH2 3.66Å; D101-R142 PolarHBondContact OD1-NH2 3.39Å; D101-R142 IonicContact OD2-CZ 3.53Å; D101-R142 IonicContact OD2-NH1 2.94Å; D101-R142 IonicContact OD2-NH2 3.05Å; D101-R142 PolarHBondContact OD2-NH2 3.43Å; A138-R142 VanDerWaalsContact O-CB 3.26Å; A138-R142 WeakPolarHBondContact O-CB 3.21Å; A138-R142 PolarHBondContact O-N 3.09Å; L139-R142 PolarHBondContact O-N 2.99Å; R142-K144 VanDerWaalsContact C-N 3.25Å; R142-K144 PolarHBondContact O-N 3.5Å |
| 143 | L | 97.2 | Very high | 97.8 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77.2 | -11.5 | 178.6 | -63.5 | -179.7 | 0 | 0 | 0 | 113.2 | I100 L139 A140 L145 | I100-L143 HydrophobicContact CG2-CD1 3.8Å; L139-L143 HydrophobicContact CD1-CD1 3.68Å; L139-L143 HydrophobicContact CD1-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 4.08Å; L139-L143 WeakPolarHBondContact O-CB 3.36Å; L139-L143 WeakPolarHBondContact O-CG 3.33Å; L139-L143 PolarHBondContact O-N 3.01Å; A140-L143 PolarHBondContact O-N 3.33Å; L143-L145 HydrophobicContact CB-CB 4.43Å; L143-L145 HydrophobicContact CB-CD1 3.86Å; L143-L145 HydrophobicContact CB-CG 3.77Å; L143-L145 HydrophobicContact CD1-CD1 4.07Å; L143-L145 PolarHBondContact O-N 2.79Å |
| 144 | K | 97.8 | Very high | 97.9 | Very high | 192 Ų | 192 | 63.4 Ų | 63.4 | 84% | 0.835 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 36.4 | -174.6 | -54.6 | 177.9 | -178 | 176.5 | 0 | 112.4 | A140 K141 R142 | A140-K144 PolarHBondContact O-N 3.1Å; K141-K144 PolarHBondContact O-N 3.19Å; R142-K144 VanDerWaalsContact C-N 3.25Å; R142-K144 PolarHBondContact O-N 3.5Å |
| 145 | L | 98 | Very high | 97.9 | Very high | 31 Ų | 31 | 60 Ų | 60 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | trans | -102.7 | 148.9 | -179.4 | -61.8 | 179.5 | 0 | 0 | 0 | 110.9 | L87 T116 L118 A140 L143 F147 | L87-L145 HydrophobicContact CD1-CD1 3.7Å; T116-L145 HydrophobicContact CG2-CD1 3.97Å; T116-L145 HydrophobicContact CG2-CD2 4.19Å; L118-L145 HydrophobicContact CB-CB 4.3Å; L118-L145 HydrophobicContact CB-CD1 4.34Å; A140-L145 PolarHBondContact O-N 3.35Å; A140-L145 VanDerWaalsContact O-N 3.14Å; L143-L145 HydrophobicContact CB-CB 4.43Å; L143-L145 HydrophobicContact CB-CD1 3.86Å; L143-L145 HydrophobicContact CB-CG 3.77Å; L143-L145 HydrophobicContact CD1-CD1 4.07Å; L143-L145 PolarHBondContact O-N 2.79Å; L145-F147 PolarHBondContact O-N 3.47Å | ||
| 146 | R | 98.4 | Very high | 98 | Very high | 128 Ų | 128 | 62.3 Ų | 62.3 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 135.2 | 163.8 | -178.5 | 64.3 | 177.3 | 163.7 | 0.5 | 108.2 | V117 L118 Y148 Y164 | V117-R146 HydrophobicContact CG2-CB 4.22Å; V117-R146 HydrophobicContact CG2-CG 4.34Å; V117-R146 WeakPolarHBondContact CG2-O 3.29Å; L118-R146 PolarHBondContact N-O 3.11Å; R146-Y148 HydrophobicContact CG-CD2 4.18Å; R146-Y148 HydrophobicContact CG-CE2 3.56Å; R146-Y164 HydrophobicContact CB-CD1 4.3Å; R146-Y164 HydrophobicContact CB-CD2 4.47Å; R146-Y164 HydrophobicContact CB-CE1 3.62Å; R146-Y164 HydrophobicContact CB-CE2 3.8Å; R146-Y164 WeakPolarHBondContact CB-OH 3.36Å; R146-Y164 HydrophobicContact CG-CD1 4.31Å; R146-Y164 HydrophobicContact CG-CD2 4.08Å; R146-Y164 HydrophobicContact CG-CE1 4.1Å; R146-Y164 HydrophobicContact CG-CE2 3.83Å; R146-Y164 HydrophobicContact CG-CG 4.31Å |
| 147 | F | 98.7 | Very high | 98.1 | Very high | 32 Ų | 32 | 64.5 Ų | 64.5 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.2 | -176.7 | 177.1 | -129.9 | 0 | 0 | 0 | 111 | F89 L118 Q120 A136 E137 A140 L145 R149 | F89-F147 HydrophobicContact CE1-CE2 4.11Å; F89-F147 HydrophobicContact CZ-CE2 4.05Å; F89-F147 HydrophobicContact CZ-CZ 4.36Å; L118-F147 HydrophobicContact CB-CD2 4.13Å; L118-F147 HydrophobicContact CD2-CD2 3.89Å; L118-F147 HydrophobicContact CD2-CE2 4.32Å; L118-F147 HydrophobicContact CG-CD2 3.82Å; L118-F147 HydrophobicContact CG-CE2 4.27Å; L118-F147 WeakPolarHBondContact O-CA 3.13Å; Q120-F147 HydrophobicContact CB-CE2 3.66Å; Q120-F147 HydrophobicContact CB-CZ 3.71Å; A136-F147 HydrophobicContact CB-CE1 4.26Å; A136-F147 HydrophobicContact CB-CZ 3.91Å; E137-F147 HydrophobicContact CG-CE1 4.44Å; A140-F147 HydrophobicContact CB-CB 3.53Å; A140-F147 HydrophobicContact CB-CD1 4.24Å; A140-F147 HydrophobicContact CB-CD2 4.48Å; A140-F147 HydrophobicContact CB-CG 3.86Å; L145-F147 PolarHBondContact O-N 3.47Å; F147-R149 HydrophobicContact CE1-CG 3.97Å; F147-R149 HydrophobicContact CZ-CG 3.86Å |
| 148 | Y | 98.8 | Very high | 98.1 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.3 | 172.3 | -71.7 | -79.5 | 0 | 0 | 0 | 110.8 | V117 L118 V119 Q120 R146 N157 E160 V161 Y164 | V117-Y148 HydrophobicContact CG2-CD2 3.52Å; V117-Y148 HydrophobicContact CG2-CE2 3.82Å; L118-Y148 PolarHBondContact O-N 3.47Å; V119-Y148 CarbonylContact C-O 3.6Å; V119-Y148 VanDerWaalsContact CA-O 3.31Å; V119-Y148 WeakPolarHBondContact CA-O 3.38Å; Q120-Y148 PolarHBondContact N-O 2.92Å; R146-Y148 HydrophobicContact CG-CD2 4.18Å; R146-Y148 HydrophobicContact CG-CE2 3.56Å; Y148-N157 HydrophobicContact CD1-CB 4.31Å; Y148-E160 HydrophobicContact CD1-CB 4.46Å; Y148-E160 HydrophobicContact CE1-CB 3.95Å; Y148-V161 HydrophobicContact CD2-CG2 3.73Å; Y148-V161 HydrophobicContact CE2-CG2 4.47Å; Y148-V161 HydrophobicContact CG-CG2 3.88Å; Y148-Y164 HydrophobicContact CE2-CG 4.27Å |
| 149 | R | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 115.8 | 164.6 | -74.5 | -173.3 | 174.5 | 105.7 | -7.6 | 106.8 | Q120 I123 N133 E137 F147 N157 | Q120-R149 HydrophobicContact CB-CG 4.3Å; Q120-R149 CarbonylContact O-C 3.54Å; Q120-R149 WeakPolarHBondContact O-CA 3.47Å; Q120-R149 VanDerWaalsContact OE1-NE 3.14Å; I123-R149 HydrophobicContact CD1-CB 3.96Å; I123-R149 WeakPolarHBondContact CD1-O 3.45Å; I123-R149 HydrophobicContact CG2-CB 3.98Å; I123-R149 HydrophobicContact CG2-CG 4.49Å; N133-R149 PolarHBondContact O-NH2 2.89Å; N133-R149 PolarHBondContact OD1-NH2 3.24Å; E137-R149 IonicContact OE1-CZ 3.4Å; E137-R149 IonicContact OE1-NH1 3.75Å; E137-R149 PolarHBondContact OE1-NH1 3.25Å; E137-R149 IonicContact OE1-NH2 2.84Å; E137-R149 PolarHBondContact OE1-NH2 3.11Å; E137-R149 VanDerWaalsContact OE1-NH2 3.12Å; F147-R149 HydrophobicContact CE1-CG 3.97Å; F147-R149 HydrophobicContact CZ-CG 3.86Å; R149-N157 PolarHBondContact O-ND2 3.15Å |
| 150 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -123 | 148.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112 | V119 Q120 N121 K122 I123 L156 N157 | V119-A150 HydrophobicContact CG1-CB 3.71Å; Q120-A150 PolarHBondContact O-N 2.89Å; N121-A150 CarbonylContact C-O 3.59Å; N121-A150 VanDerWaalsContact CA-O 3.31Å; N121-A150 WeakPolarHBondContact CA-O 3.14Å; N121-A150 PolarHBondContact OD1-O 3.06Å; K122-A150 PolarHBondContact N-O 3.25Å; I123-A150 WeakPolarHBondContact CG1-O 3.47Å; I123-A150 PolarHBondContact N-O 2.82Å; A150-L156 VanDerWaalsContact CA-O 3.31Å; A150-L156 WeakPolarHBondContact CA-O 3.47Å; A150-L156 WeakPolarHBondContact CB-O 3.13Å; A150-N157 HydrophobicContact CB-CB 4.24Å | ||
| 151 | S | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -122.2 | 106 | 163 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | D124 K153 E154 D155 L156 | D124-S151 VanDerWaalsContact CG-OG 3.28Å; D124-S151 WeakPolarHBondContact OD1-CB 3.3Å; D124-S151 PolarHBondContact OD1-OG 3.3Å; S151-K153 PolarHBondContact O-N 3.03Å; S151-K153 PolarHBondContact OG-N 3.49Å; S151-E154 PolarHBondContact O-N 3Å; S151-E154 PolarHBondContact OG-N 2.7Å; S151-E154 VanDerWaalsContact OG-N 3.08Å; S151-D155 CarbonylContact O-C 3.39Å; S151-D155 WeakPolarHBondContact O-CA 3.42Å; S151-D155 PolarHBondContact O-N 3.06Å; S151-L156 PolarHBondContact N-O 2.73Å; S151-L156 PolarHBondContact O-N 2.82Å |
| 152 | V | 97.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31 | 173.1 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | S24 M25 R28 F34 N121 V158 | S24-V152 VanDerWaalsContact O-CG1 3.29Å; S24-V152 WeakPolarHBondContact O-CG1 3.13Å; M25-V152 HydrophobicContact CB-CG2 3.65Å; M25-V152 HydrophobicContact CE-CG2 3.93Å; M25-V152 HydrophobicContact CG-CG2 4Å; R28-V152 HydrophobicContact CB-CG1 3.84Å; R28-V152 HydrophobicContact CG-CG1 4.36Å; R28-V152 PolarHBondContact NE-O 2.88Å; R28-V152 PolarHBondContact NH2-O 3.27Å; F34-V152 HydrophobicContact CD2-CG1 3.98Å; F34-V152 HydrophobicContact CE2-CG1 4.43Å; N121-V152 WeakPolarHBondContact OD1-CG2 3.37Å; N121-V152 PolarHBondContact OD1-N 3.23Å; V152-V158 HydrophobicContact CG2-CG2 4.21Å |
| 153 | K | 97.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 53.3 Ų | 53.3 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -46 | 177.2 | 179.5 | -170.3 | 169.4 | -127.5 | 0 | 111.2 | R28 F34 D124 S151 D155 | R28-K153 PolarHBondContact NH2-O 3.13Å; F34-K153 HydrophobicContact CD1-CB 4.45Å; F34-K153 HydrophobicContact CD1-CG 4.19Å; F34-K153 HydrophobicContact CE1-CB 3.98Å; F34-K153 HydrophobicContact CE1-CD 4.48Å; F34-K153 HydrophobicContact CE1-CG 3.67Å; F34-K153 HydrophobicContact CE2-CB 4.11Å; F34-K153 HydrophobicContact CZ-CB 3.79Å; F34-K153 HydrophobicContact CZ-CG 3.95Å; D124-K153 WeakPolarHBondContact OD2-CD 3.36Å; S151-K153 PolarHBondContact O-N 3.03Å; S151-K153 PolarHBondContact OG-N 3.49Å; K153-D155 VanDerWaalsContact C-N 3.34Å |
| 154 | E | 97.6 | Very high | 98.2 | Very high | 115 Ų | 115 | 54.8 Ų | 54.8 | 54% | 0.537 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.1 | -179 | -51.9 | -57.6 | 150.5 | 0 | 0 | 113.1 | D124 S151 L156 | D124-E154 HydrophobicContact CB-CG 4.03Å; S151-E154 PolarHBondContact O-N 3Å; S151-E154 PolarHBondContact OG-N 2.7Å; S151-E154 VanDerWaalsContact OG-N 3.08Å; E154-L156 PolarHBondContact O-N 2.89Å |
| 155 | D | 97.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 33.6 | -175.8 | -159.8 | 32.1 | 0 | 0 | 0 | 114.6 | R28 S151 K153 | R28-D155 WeakPolarHBondContact CD-OD1 3.33Å; R28-D155 HydrophobicContact CG-CB 4.44Å; R28-D155 WeakPolarHBondContact CG-OD1 3.38Å; S151-D155 CarbonylContact O-C 3.39Å; S151-D155 WeakPolarHBondContact O-CA 3.42Å; S151-D155 PolarHBondContact O-N 3.06Å; K153-D155 VanDerWaalsContact C-N 3.34Å |
| 156 | L | 98.5 | Very high | 98.2 | Very high | 85 Ų | 85 | 44.1 Ų | 44.1 | 45% | 0.445 | 20% | 0.2 | S | C | . | . | B | Isolated β-bridge | trans | -92.5 | 126.6 | -178.5 | -178.2 | 61.2 | 0 | 0 | 0 | 111.2 | I123 A150 S151 E154 V158 | I123-L156 HydrophobicContact CD1-CD2 3.77Å; A150-L156 VanDerWaalsContact CA-O 3.31Å; A150-L156 WeakPolarHBondContact CA-O 3.47Å; A150-L156 WeakPolarHBondContact CB-O 3.13Å; S151-L156 PolarHBondContact N-O 2.73Å; S151-L156 PolarHBondContact O-N 2.82Å; E154-L156 PolarHBondContact O-N 2.89Å; L156-V158 PolarHBondContact O-N 2.75Å; L156-V158 VanDerWaalsContact O-N 3.17Å |
| 157 | N | 98.3 | Very high | 98.2 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 62.9 | 8 | 179.1 | -68 | -40.6 | 0 | 0 | 0 | 115.5 | Y148 R149 A150 E160 V161 | Y148-N157 HydrophobicContact CD1-CB 4.31Å; R149-N157 PolarHBondContact O-ND2 3.15Å; A150-N157 HydrophobicContact CB-CB 4.24Å; N157-E160 WeakPolarHBondContact CA-OE2 3.46Å; N157-V161 VanDerWaalsContact O-CG2 3.28Å; N157-V161 WeakPolarHBondContact O-CG2 2.87Å; N157-V161 PolarHBondContact O-N 3.14Å |
| 158 | V | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | -179.2 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | M25 R28 Y29 V152 L156 E160 F162 | M25-V158 HydrophobicContact CG-CG1 4.19Å; R28-V158 HydrophobicContact CG-CG1 4.21Å; R28-V158 HydrophobicContact CG-CG2 4.3Å; Y29-V158 HydrophobicContact CD2-CG1 4.28Å; V152-V158 HydrophobicContact CG2-CG2 4.21Å; L156-V158 PolarHBondContact O-N 2.75Å; L156-V158 VanDerWaalsContact O-N 3.17Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 3.21Å; V158-F162 HydrophobicContact CG1-CE2 4.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.18Å |
| 159 | N | 97.8 | Very high | 98 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.7 | -36.3 | -179.2 | -70.5 | -77.6 | 0 | 0 | 0 | 111.8 | Y29 R49 V161 F162 K163 | Y29-N159 WeakPolarHBondContact CD2-OD1 3.39Å; Y29-N159 HydrophobicContact CE2-CB 4.3Å; Y29-N159 WeakPolarHBondContact CE2-OD1 3.43Å; R49-N159 PolarHBondContact NH1-OD1 2.78Å; N159-V161 VanDerWaalsContact C-N 3.33Å; N159-V161 PolarHBondContact O-N 2.79Å; N159-F162 PolarHBondContact O-N 2.61Å; N159-K163 VanDerWaalsContact O-CB 3.3Å; N159-K163 WeakPolarHBondContact O-CB 3.44Å; N159-K163 PolarHBondContact O-N 3.38Å |
| 160 | E | 98.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 39.8 Ų | 39.8 | 39% | 0.393 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.1 | -37 | -177.7 | -68.5 | 69.2 | -162.3 | 0 | 0 | 111.8 | Y148 N157 V158 Y164 | Y148-E160 HydrophobicContact CD1-CB 4.46Å; Y148-E160 HydrophobicContact CE1-CB 3.95Å; N157-E160 WeakPolarHBondContact CA-OE2 3.46Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 3.21Å; E160-Y164 WeakPolarHBondContact O-CB 3.24Å; E160-Y164 PolarHBondContact O-N 3.08Å |
| 161 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -52.6 | 175.6 | 165.4 | 0 | 0 | 0 | 0 | 110.9 | V86 V117 V119 Y148 N157 N159 L165 | V86-V161 HydrophobicContact CG1-CG1 4.03Å; V86-V161 HydrophobicContact CG2-CG1 3.93Å; V117-V161 HydrophobicContact CG1-CG1 3.85Å; V119-V161 HydrophobicContact CG2-CG1 4.1Å; V119-V161 HydrophobicContact CG2-CG2 3.72Å; Y148-V161 HydrophobicContact CD2-CG2 3.73Å; Y148-V161 HydrophobicContact CE2-CG2 4.47Å; Y148-V161 HydrophobicContact CG-CG2 3.88Å; N157-V161 VanDerWaalsContact O-CG2 3.28Å; N157-V161 WeakPolarHBondContact O-CG2 2.87Å; N157-V161 PolarHBondContact O-N 3.14Å; N159-V161 VanDerWaalsContact C-N 3.33Å; N159-V161 PolarHBondContact O-N 2.79Å; V161-L165 PolarHBondContact O-N 3.35Å |
| 162 | F | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.9 | -35.2 | -176.1 | -64.5 | -72.4 | 0 | 0 | 0 | 112.5 | V12 V14 M25 Y29 L60 L62 V86 V158 N159 L165 A166 | V12-F162 HydrophobicContact CG1-CE1 4.46Å; V14-F162 HydrophobicContact CG2-CE1 4.35Å; M25-F162 HydrophobicContact CG-CE2 3.96Å; M25-F162 HydrophobicContact CG-CZ 4.07Å; M25-F162 HydrophobicContact SD-CE2 4.39Å; M25-F162 HydrophobicContact SD-CZ 4.24Å; Y29-F162 HydrophobicContact CD1-CB 4.47Å; Y29-F162 AromaticContact CD1-CD2 3.69Å; Y29-F162 HydrophobicContact CD1-CD2 3.69Å; Y29-F162 HydrophobicContact CD1-CE2 4.05Å; Y29-F162 HydrophobicContact CD1-CG 4.03Å; Y29-F162 HydrophobicContact CD2-CB 4.37Å; Y29-F162 AromaticContact CD2-CD2 3.42Å; Y29-F162 HydrophobicContact CD2-CD2 3.42Å; Y29-F162 VanDerWaalsContact CD2-CD2 3.42Å; Y29-F162 HydrophobicContact CD2-CE2 4.07Å; Y29-F162 HydrophobicContact CD2-CG 4.21Å; Y29-F162 HydrophobicContact CE1-CB 3.87Å; Y29-F162 AromaticContact CE1-CD2 3.96Å; Y29-F162 HydrophobicContact CE1-CD2 3.96Å; Y29-F162 AromaticContact CE1-CG 3.88Å; Y29-F162 HydrophobicContact CE1-CG 3.88Å; Y29-F162 HydrophobicContact CE2-CB 3.79Å; Y29-F162 AromaticContact CE2-CD2 3.74Å; Y29-F162 HydrophobicContact CE2-CD2 3.74Å; Y29-F162 HydrophobicContact CE2-CG 4.11Å; Y29-F162 AromaticContact CG-CD2 3.36Å; Y29-F162 HydrophobicContact CG-CD2 3.36Å; Y29-F162 AromaticContact CG-CE2 3.65Å; Y29-F162 HydrophobicContact CG-CE2 3.65Å; Y29-F162 HydrophobicContact CG-CG 4.14Å; Y29-F162 VanDerWaalsContact CZ-CB 3.48Å; Y29-F162 AromaticContact CZ-CD2 3.97Å; Y29-F162 AromaticContact CZ-CG 3.92Å; L60-F162 HydrophobicContact CD1-CB 3.89Å; L62-F162 HydrophobicContact CD1-CD1 4.17Å; L62-F162 HydrophobicContact CD1-CE1 3.76Å; L62-F162 HydrophobicContact CD1-CZ 3.95Å; L62-F162 HydrophobicContact CD2-CD1 3.74Å; L62-F162 HydrophobicContact CD2-CE1 3.67Å; L62-F162 HydrophobicContact CG-CE1 4.36Å; V86-F162 HydrophobicContact CG2-CE1 4.13Å; V158-F162 HydrophobicContact CG1-CE2 4.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.18Å; N159-F162 PolarHBondContact O-N 2.61Å; F162-L165 PolarHBondContact O-N 3.03Å; F162-A166 PolarHBondContact O-N 3.46Å |
| 163 | K | 98.1 | Very high | 97.1 | Very high | 108 Ų | 108 | 50.4 Ų | 50.4 | 47% | 0.47 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 172.4 | -173.9 | -178.3 | -179.8 | -172.9 | 0 | 111.4 | V53 N159 L165 A166 E167 | V53-K163 HydrophobicContact CG2-CG 4.44Å; N159-K163 VanDerWaalsContact O-CB 3.3Å; N159-K163 WeakPolarHBondContact O-CB 3.44Å; N159-K163 PolarHBondContact O-N 3.38Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3.04Å; K163-A166 PolarHBondContact O-N 2.87Å; K163-E167 WeakPolarHBondContact CE-OE1 3.06Å; K163-E167 WeakPolarHBondContact O-CG 3.36Å; K163-E167 PolarHBondContact O-N 3.3Å |
| 164 | Y | 98.5 | Very high | 96.8 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 17% | 0.169 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -43.1 | 176.6 | 167.4 | -97.3 | 0 | 0 | 0 | 112.3 | V117 R146 Y148 E160 E167 K168 | V117-Y164 HydrophobicContact CB-CD1 4.01Å; V117-Y164 HydrophobicContact CB-CE1 4.02Å; V117-Y164 HydrophobicContact CG2-CD1 4Å; V117-Y164 HydrophobicContact CG2-CE1 4.19Å; R146-Y164 HydrophobicContact CB-CD1 4.3Å; R146-Y164 HydrophobicContact CB-CD2 4.47Å; R146-Y164 HydrophobicContact CB-CE1 3.62Å; R146-Y164 HydrophobicContact CB-CE2 3.8Å; R146-Y164 WeakPolarHBondContact CB-OH 3.36Å; R146-Y164 HydrophobicContact CG-CD1 4.31Å; R146-Y164 HydrophobicContact CG-CD2 4.08Å; R146-Y164 HydrophobicContact CG-CE1 4.1Å; R146-Y164 HydrophobicContact CG-CE2 3.83Å; R146-Y164 HydrophobicContact CG-CG 4.31Å; Y148-Y164 HydrophobicContact CE2-CG 4.27Å; E160-Y164 WeakPolarHBondContact O-CB 3.24Å; E160-Y164 PolarHBondContact O-N 3.08Å; Y164-E167 PolarHBondContact O-N 3.47Å; Y164-K168 HydrophobicContact CD2-CG 4.21Å; Y164-K168 HydrophobicContact CE1-CG 4.01Å; Y164-K168 HydrophobicContact CE2-CD 4.18Å; Y164-K168 VanDerWaalsContact CE2-CE 3.47Å; Y164-K168 HydrophobicContact CE2-CG 3.69Å; Y164-K168 WeakPolarHBondContact O-CB 3.31Å; Y164-K168 WeakPolarHBondContact O-CG 3.43Å; Y164-K168 PolarHBondContact O-N 3.34Å |
| 165 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 178.6 | -71.8 | 177.7 | 0 | 0 | 0 | 112.2 | V12 A84 V86 P115 V117 V161 F162 K163 K168 Y169 | V12-L165 HydrophobicContact CG1-CD1 3.81Å; A84-L165 HydrophobicContact CB-CB 4.17Å; A84-L165 HydrophobicContact CB-CD1 4.18Å; A84-L165 HydrophobicContact CB-CD2 4.1Å; A84-L165 HydrophobicContact CB-CG 4.38Å; V86-L165 HydrophobicContact CG2-CD1 3.5Å; V86-L165 VanDerWaalsContact CG2-CD1 3.5Å; P115-L165 HydrophobicContact CB-CD2 4.32Å; V117-L165 HydrophobicContact CB-CD2 4.07Å; V117-L165 HydrophobicContact CB-CG 4.46Å; V117-L165 HydrophobicContact CG1-CD1 3.84Å; V117-L165 HydrophobicContact CG1-CD2 3.89Å; V117-L165 HydrophobicContact CG1-CG 3.9Å; V161-L165 PolarHBondContact O-N 3.35Å; F162-L165 PolarHBondContact O-N 3.03Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3.04Å; L165-K168 PolarHBondContact O-N 3.45Å; L165-Y169 WeakPolarHBondContact O-CB 3.29Å; L165-Y169 PolarHBondContact O-N 2.93Å |
| 166 | A | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I51 V53 V58 L60 F162 K163 K168 Y169 L170 | I51-A166 HydrophobicContact CD1-CB 3.97Å; V53-A166 HydrophobicContact CG2-CB 3.94Å; V58-A166 HydrophobicContact CG1-CB 4.29Å; L60-A166 HydrophobicContact CD2-CB 4.13Å; F162-A166 PolarHBondContact O-N 3.46Å; K163-A166 PolarHBondContact O-N 2.87Å; A166-K168 VanDerWaalsContact C-N 3.31Å; A166-K168 PolarHBondContact O-N 2.73Å; A166-Y169 PolarHBondContact O-N 3.28Å; A166-L170 WeakPolarHBondContact O-CG 3.23Å; A166-L170 PolarHBondContact O-N 3.48Å |
| 167 | E | 97.4 | Very high | 95.2 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.9 | -44 | 176.5 | -72.5 | 173.4 | 179.9 | 0 | 0 | 112 | V53 K163 Y164 Q171 | V53-E167 HydrophobicContact CG1-CB 4.27Å; V53-E167 HydrophobicContact CG1-CG 3.29Å; K163-E167 WeakPolarHBondContact CE-OE1 3.06Å; K163-E167 WeakPolarHBondContact O-CG 3.36Å; K163-E167 PolarHBondContact O-N 3.3Å; Y164-E167 PolarHBondContact O-N 3.47Å; E167-Q171 WeakPolarHBondContact O-CB 3.24Å; E167-Q171 VanDerWaalsContact O-CG 3.25Å; E167-Q171 WeakPolarHBondContact O-CG 3.06Å; E167-Q171 PolarHBondContact O-N 2.82Å |
| 168 | K | 97.6 | Very high | 94.5 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 34% | 0.335 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 179.3 | -73.4 | -64 | 172.4 | -162.8 | 0 | 113.3 | P115 Y164 L165 A166 R172 | P115-K168 HydrophobicContact CB-CB 4.02Å; P115-K168 HydrophobicContact CG-CB 4.35Å; Y164-K168 HydrophobicContact CD2-CG 4.21Å; Y164-K168 HydrophobicContact CE1-CG 4.01Å; Y164-K168 HydrophobicContact CE2-CD 4.18Å; Y164-K168 VanDerWaalsContact CE2-CE 3.47Å; Y164-K168 HydrophobicContact CE2-CG 3.69Å; Y164-K168 WeakPolarHBondContact O-CB 3.31Å; Y164-K168 WeakPolarHBondContact O-CG 3.43Å; Y164-K168 PolarHBondContact O-N 3.34Å; L165-K168 PolarHBondContact O-N 3.45Å; A166-K168 VanDerWaalsContact C-N 3.31Å; A166-K168 PolarHBondContact O-N 2.73Å; K168-R172 PolarHBondContact O-N 2.89Å; K168-R172 VanDerWaalsContact O-N 3.15Å |
| 169 | Y | 96 | Very high | 93.5 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 13% | 0.129 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 175.6 | -178 | -112.3 | 0 | 0 | 0 | 111.4 | V8 I10 Q83 L165 A166 Q171 R172 L173 | V8-Y169 HydrophobicContact CG1-CD1 4.19Å; V8-Y169 HydrophobicContact CG1-CE1 3.85Å; I10-Y169 HydrophobicContact CB-CD1 3.95Å; I10-Y169 HydrophobicContact CB-CE1 4.1Å; I10-Y169 HydrophobicContact CB-CG 4.48Å; I10-Y169 HydrophobicContact CD1-CD1 3.98Å; I10-Y169 HydrophobicContact CD1-CD2 4.34Å; I10-Y169 HydrophobicContact CD1-CG 3.7Å; I10-Y169 HydrophobicContact CG1-CD1 4.07Å; I10-Y169 HydrophobicContact CG1-CD2 4.48Å; I10-Y169 HydrophobicContact CG1-CE1 4.44Å; I10-Y169 HydrophobicContact CG1-CG 4.09Å; Q83-Y169 HydrophobicContact CB-CD2 3.99Å; Q83-Y169 HydrophobicContact CB-CE2 3.64Å; Q83-Y169 HydrophobicContact CG-CE2 3.89Å; Q83-Y169 PolarHBondContact NE2-OH 3.47Å; L165-Y169 WeakPolarHBondContact O-CB 3.29Å; L165-Y169 PolarHBondContact O-N 2.93Å; A166-Y169 PolarHBondContact O-N 3.28Å; Y169-Q171 VanDerWaalsContact C-N 3.34Å; Y169-Q171 PolarHBondContact O-N 3.28Å; Y169-R172 WeakPolarHBondContact O-CB 3.36Å; Y169-R172 PolarHBondContact O-N 2.87Å; Y169-R172 VanDerWaalsContact O-N 3.08Å; Y169-L173 HydrophobicContact CD1-CD1 4.05Å; Y169-L173 HydrophobicContact CD1-CG 4.47Å; Y169-L173 HydrophobicContact CE1-CD1 3.54Å; Y169-L173 HydrophobicContact CE1-CG 4.1Å; Y169-L173 HydrophobicContact CE2-CD2 4.34Å; Y169-L173 HydrophobicContact CE2-CG 4.4Å; Y169-L173 PolarHBondContact O-N 2.91Å |
| 170 | L | 94.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 175.5 | -68.9 | -176.9 | 0 | 0 | 0 | 112.5 | V8 V53 E56 V58 A166 R172 L173 K174 | V8-L170 HydrophobicContact CB-CD2 4.36Å; V8-L170 HydrophobicContact CG1-CD2 3.77Å; V8-L170 HydrophobicContact CG2-CD2 4.3Å; V53-L170 HydrophobicContact CB-CD1 4.19Å; V53-L170 HydrophobicContact CG1-CD1 4.13Å; E56-L170 HydrophobicContact CB-CD1 4.16Å; E56-L170 WeakPolarHBondContact OE2-CD2 3.43Å; V58-L170 HydrophobicContact CG2-CD1 3.82Å; V58-L170 HydrophobicContact CG2-CD2 4.06Å; V58-L170 HydrophobicContact CG2-CG 4.17Å; A166-L170 WeakPolarHBondContact O-CG 3.23Å; A166-L170 PolarHBondContact O-N 3.48Å; L170-R172 VanDerWaalsContact C-N 3.27Å; L170-R172 PolarHBondContact O-N 3.32Å; L170-L173 PolarHBondContact O-N 3.4Å; L170-K174 WeakPolarHBondContact O-CG 3.46Å; L170-K174 PolarHBondContact O-N 3.07Å |
| 171 | Q | 94.8 | Very high | 91.1 | Very high | 80 Ų | 80 | 63.5 Ų | 63.5 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58 | -41.4 | 174.7 | -77.4 | 171 | 9.8 | 0 | 0 | 111.8 | E167 Y169 Q175 | E167-Q171 WeakPolarHBondContact O-CB 3.24Å; E167-Q171 VanDerWaalsContact O-CG 3.25Å; E167-Q171 WeakPolarHBondContact O-CG 3.06Å; E167-Q171 PolarHBondContact O-N 2.82Å; Y169-Q171 VanDerWaalsContact C-N 3.34Å; Y169-Q171 PolarHBondContact O-N 3.28Å; Q171-Q175 VanDerWaalsContact O-CG 3.31Å; Q171-Q175 WeakPolarHBondContact O-CG 3.47Å; Q171-Q175 PolarHBondContact O-N 3.31Å |
| 172 | R | 93.4 | Very high | 89.6 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 37% | 0.366 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.1 | -41 | 179.5 | -171.7 | 173.2 | 178.8 | 164.3 | -3 | 112.2 | N113 K168 Y169 L170 Q175 Q176 | N113-R172 PolarHBondContact O-NH1 2.84Å; N113-R172 PolarHBondContact O-NH2 3.3Å; K168-R172 PolarHBondContact O-N 2.89Å; K168-R172 VanDerWaalsContact O-N 3.15Å; Y169-R172 WeakPolarHBondContact O-CB 3.36Å; Y169-R172 PolarHBondContact O-N 2.87Å; Y169-R172 VanDerWaalsContact O-N 3.08Å; L170-R172 VanDerWaalsContact C-N 3.27Å; L170-R172 PolarHBondContact O-N 3.32Å; R172-Q175 PolarHBondContact O-N 2.85Å; R172-Q176 WeakPolarHBondContact O-CG 3.4Å; R172-Q176 PolarHBondContact O-N 2.93Å; R172-Q176 VanDerWaalsContact O-N 3.07Å |
| 173 | L | 91.4 | Very high | 88.3 | Confident | 50 Ų | 50 | 74.6 Ų | 74.6 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 175.1 | -70.5 | -179.3 | 0 | 0 | 0 | 111.3 | V8 Y169 L170 Q175 Q176 T177 | V8-L173 HydrophobicContact CG1-CD1 4.01Å; Y169-L173 HydrophobicContact CD1-CD1 4.05Å; Y169-L173 HydrophobicContact CD1-CG 4.47Å; Y169-L173 HydrophobicContact CE1-CD1 3.54Å; Y169-L173 HydrophobicContact CE1-CG 4.1Å; Y169-L173 HydrophobicContact CE2-CD2 4.34Å; Y169-L173 HydrophobicContact CE2-CG 4.4Å; Y169-L173 PolarHBondContact O-N 2.91Å; L170-L173 PolarHBondContact O-N 3.4Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 2.85Å; L173-Q176 PolarHBondContact O-N 3.42Å; L173-T177 PolarHBondContact O-N 2.79Å; L173-T177 PolarHBondContact O-OG1 2.72Å; L173-T177 VanDerWaalsContact O-OG1 3.06Å |
| 174 | K | 90.6 | Very high | 86.7 | Confident | 110 Ų | 110 | 74.6 Ų | 74.6 | 48% | 0.478 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 178.4 | -70.6 | 177.4 | -177.2 | -175.5 | 0 | 112.9 | E56 L170 A178 | E56-K174 WeakPolarHBondContact OE1-CE 3.45Å; E56-K174 IonicContact OE1-NZ 2.65Å; E56-K174 PolarHBondContact OE1-NZ 2.75Å; L170-K174 WeakPolarHBondContact O-CG 3.46Å; L170-K174 PolarHBondContact O-N 3.07Å; K174-A178 WeakPolarHBondContact O-CB 3.4Å; K174-A178 PolarHBondContact O-N 2.9Å; K174-A178 VanDerWaalsContact O-N 3.14Å |
| 175 | Q | 90.4 | Very high | 84.9 | Confident | 117 Ų | 117 | 79 Ų | 79 | 55% | 0.547 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 176.6 | -72.3 | 166.9 | 7.7 | 0 | 0 | 111.6 | Q171 R172 L173 T177 A178 E179 | Q171-Q175 VanDerWaalsContact O-CG 3.31Å; Q171-Q175 WeakPolarHBondContact O-CG 3.47Å; Q171-Q175 PolarHBondContact O-N 3.31Å; R172-Q175 PolarHBondContact O-N 2.85Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 2.85Å; Q175-T177 PolarHBondContact O-N 3.45Å; Q175-A178 PolarHBondContact O-N 2.84Å; Q175-E179 WeakPolarHBondContact O-CG 3.42Å; Q175-E179 PolarHBondContact O-N 3.34Å |
| 176 | Q | 87.1 | Confident | 83 | Confident | 81 Ų | 81 | 82.4 Ų | 82.4 | 38% | 0.379 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 178.3 | -71.2 | 174.8 | -26.9 | 0 | 0 | 112 | R172 L173 A178 E179 E180 | R172-Q176 WeakPolarHBondContact O-CG 3.4Å; R172-Q176 PolarHBondContact O-N 2.93Å; R172-Q176 VanDerWaalsContact O-N 3.07Å; L173-Q176 PolarHBondContact O-N 3.42Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; Q176-A178 PolarHBondContact O-N 3.03Å; Q176-E179 PolarHBondContact O-N 3.21Å; Q176-E180 WeakPolarHBondContact O-CG 3.05Å; Q176-E180 PolarHBondContact O-N 3.25Å; Q176-E180 VanDerWaalsContact O-N 3.08Å |
| 177 | T | 84.3 | Confident | 81.1 | Confident | 86 Ų | 86 | 86.5 Ų | 86.5 | 53% | 0.528 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 177 | -49.4 | 0 | 0 | 0 | 0 | 112.5 | L173 Q175 T181 | L173-T177 PolarHBondContact O-N 2.79Å; L173-T177 PolarHBondContact O-OG1 2.72Å; L173-T177 VanDerWaalsContact O-OG1 3.06Å; Q175-T177 PolarHBondContact O-N 3.45Å; T177-T181 PolarHBondContact O-N 3.06Å; T177-T181 PolarHBondContact O-OG1 2.76Å |
| 178 | A | 81.9 | Confident | 79.1 | Confident | 52 Ų | 52 | 87.7 Ų | 87.7 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K174 Q175 Q176 E180 T181 E182 | K174-A178 WeakPolarHBondContact O-CB 3.4Å; K174-A178 PolarHBondContact O-N 2.9Å; K174-A178 VanDerWaalsContact O-N 3.14Å; Q175-A178 PolarHBondContact O-N 2.84Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; Q176-A178 PolarHBondContact O-N 3.03Å; A178-E180 PolarHBondContact O-N 2.81Å; A178-T181 PolarHBondContact O-N 2.77Å; A178-E182 PolarHBondContact O-N 3.25Å; A178-E182 VanDerWaalsContact O-N 3.13Å |
| 179 | E | 78.8 | Confident | 76.9 | Confident | 128 Ų | 128 | 90.2 Ų | 90.2 | 60% | 0.598 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 178.5 | -71.4 | 174.4 | -173.6 | 0 | 0 | 112.1 | Q175 Q176 T181 E182 V183 | Q175-E179 WeakPolarHBondContact O-CG 3.42Å; Q175-E179 PolarHBondContact O-N 3.34Å; Q176-E179 PolarHBondContact O-N 3.21Å; E179-T181 VanDerWaalsContact C-N 3.32Å; E179-T181 PolarHBondContact O-N 3.41Å; E179-E182 PolarHBondContact O-N 2.91Å; E179-V183 WeakPolarHBondContact O-CG2 3.48Å; E179-V183 PolarHBondContact O-N 3.23Å; E179-V183 VanDerWaalsContact O-N 3.16Å |
| 180 | E | 74.3 | Confident | 74.7 | Confident | 132 Ų | 132 | 97.6 Ų | 97.6 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -38.7 | 176.4 | -73.7 | 176.3 | -179.1 | 0 | 0 | 112.2 | Q176 A178 V183 I184 | Q176-E180 WeakPolarHBondContact O-CG 3.05Å; Q176-E180 PolarHBondContact O-N 3.25Å; Q176-E180 VanDerWaalsContact O-N 3.08Å; A178-E180 PolarHBondContact O-N 2.81Å; E180-V183 PolarHBondContact O-N 3.01Å; E180-I184 WeakPolarHBondContact O-CD1 3.24Å; E180-I184 VanDerWaalsContact O-CG1 3.32Å; E180-I184 WeakPolarHBondContact O-CG1 3.32Å; E180-I184 PolarHBondContact O-N 3.27Å |
| 181 | T | 69.7 | Low | 72.8 | Confident | 89 Ų | 89 | 105.1 Ų | 105.1 | 55% | 0.546 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.5 | -38.8 | 179.2 | -54 | 0 | 0 | 0 | 0 | 111.9 | T177 A178 E179 H185 | T177-T181 PolarHBondContact O-N 3.06Å; T177-T181 PolarHBondContact O-OG1 2.76Å; A178-T181 PolarHBondContact O-N 2.77Å; E179-T181 VanDerWaalsContact C-N 3.32Å; E179-T181 PolarHBondContact O-N 3.41Å; T181-H185 PolarHBondContact O-N 3.35Å |
| 182 | E | 69.2 | Low | 70.6 | Confident | 145 Ų | 145 | 104.6 Ų | 104.6 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.5 | -38.1 | 177.1 | -71.4 | -174 | 177.4 | 0 | 0 | 112.9 | A178 E179 H185 S186 | A178-E182 PolarHBondContact O-N 3.25Å; A178-E182 VanDerWaalsContact O-N 3.13Å; E179-E182 PolarHBondContact O-N 2.91Å; E182-H185 PolarHBondContact O-N 2.89Å; E182-S186 PolarHBondContact O-N 3.41Å; E182-S186 PolarHBondContact O-OG 2.85Å |
| 183 | V | 69.4 | Low | 68.2 | Low | 88 Ų | 88 | 106.1 Ų | 106.1 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.2 | -40.1 | 177 | 175 | 0 | 0 | 0 | 0 | 111.4 | E179 E180 S186 T187 | E179-V183 WeakPolarHBondContact O-CG2 3.48Å; E179-V183 PolarHBondContact O-N 3.23Å; E179-V183 VanDerWaalsContact O-N 3.16Å; E180-V183 PolarHBondContact O-N 3.01Å; V183-S186 PolarHBondContact O-N 3.22Å; V183-S186 PolarHBondContact O-OG 2.9Å; V183-T187 WeakPolarHBondContact O-CG2 3.47Å; V183-T187 PolarHBondContact O-N 3.13Å; V183-T187 VanDerWaalsContact O-N 3.09Å; V183-T187 PolarHBondContact O-OG1 3.27Å |
| 184 | I | 65.6 | Low | 65.8 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 55% | 0.554 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.1 | -40 | 176.3 | -64.6 | 164.8 | 0 | 0 | 0 | 111 | E180 T187 S188 | E180-I184 WeakPolarHBondContact O-CD1 3.24Å; E180-I184 VanDerWaalsContact O-CG1 3.32Å; E180-I184 WeakPolarHBondContact O-CG1 3.32Å; E180-I184 PolarHBondContact O-N 3.27Å; I184-T187 PolarHBondContact O-OG1 2.88Å; I184-S188 WeakPolarHBondContact O-CB 3.38Å; I184-S188 PolarHBondContact O-N 2.6Å; I184-S188 VanDerWaalsContact O-N 3.12Å; I184-S188 PolarHBondContact O-OG 2.92Å |
| 185 | H | 59.7 | Low | 63.3 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69 | -36.9 | 178.9 | -152.5 | 70.2 | 0 | 0 | 0 | 112.5 | T181 E182 | T181-H185 PolarHBondContact O-N 3.35Å; E182-H185 PolarHBondContact O-N 2.89Å |
| 186 | S | 59.1 | Low | 60.7 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73 | -30.4 | 177.5 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | E182 V183 | E182-S186 PolarHBondContact O-N 3.41Å; E182-S186 PolarHBondContact O-OG 2.85Å; V183-S186 PolarHBondContact O-N 3.22Å; V183-S186 PolarHBondContact O-OG 2.9Å |
| 187 | T | 57.2 | Low | 58.3 | Low | 85 Ų | 85 | 116.9 Ų | 116.9 | 52% | 0.521 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -80.6 | -29.1 | 177.3 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | V183 I184 N189 K190 | V183-T187 WeakPolarHBondContact O-CG2 3.47Å; V183-T187 PolarHBondContact O-N 3.13Å; V183-T187 VanDerWaalsContact O-N 3.09Å; V183-T187 PolarHBondContact O-OG1 3.27Å; I184-T187 PolarHBondContact O-OG1 2.88Å; T187-N189 VanDerWaalsContact C-N 3.29Å; T187-N189 PolarHBondContact O-N 3.13Å; T187-K190 PolarHBondContact O-N 3.09Å |
| 188 | S | 56.1 | Low | 56 | Low | 73 Ų | 73 | 118.3 Ų | 118.3 | 51% | 0.51 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -69 | -24.1 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | I184 K190 | I184-S188 WeakPolarHBondContact O-CB 3.38Å; I184-S188 PolarHBondContact O-N 2.6Å; I184-S188 VanDerWaalsContact O-N 3.12Å; I184-S188 PolarHBondContact O-OG 2.92Å; S188-K190 VanDerWaalsContact C-N 3.28Å; S188-K190 PolarHBondContact O-N 3.07Å |
| 189 | N | 50.7 | Low | 53.7 | Low | 131 Ų | 131 | 121.3 Ų | 121.3 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 9 | 176 | -80.7 | -18.1 | 0 | 0 | 0 | 114.6 | T187 | T187-N189 VanDerWaalsContact C-N 3.29Å; T187-N189 PolarHBondContact O-N 3.13Å |
| 190 | K | 49.8 | Very low | 51.5 | Low | 187 Ų | 187 | 122.9 Ų | 122.9 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 27.8 | 175.1 | -75.6 | -170.4 | 178.3 | 177.5 | 0 | 114.2 | T187 S188 | T187-K190 PolarHBondContact O-N 3.09Å; S188-K190 VanDerWaalsContact C-N 3.28Å; S188-K190 PolarHBondContact O-N 3.07Å |
| 191 | I | 54.7 | Low | 49.6 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | trans | -112.2 | 101 | 166.7 | -62.1 | 171.2 | 0 | 0 | 0 | 108.5 | ||||
| 192 | G | 49.5 | Very low | 47.7 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | 132.2 | 82.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 193 | V | 42.8 | Very low | 45.9 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | -146.1 | 94.7 | 129.4 | -172.2 | 0 | 0 | 0 | 0 | 108 | N195 | V193-N195 PolarHBondContact O-N 3.13Š| |||
| 194 | F | 41.5 | Very low | 44.1 | Very low | 198 Ų | 198 | 127.8 Ų | 127.8 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | trans | -72.8 | 110.1 | 158.7 | -111.1 | -96.7 | 0 | 0 | 0 | 106.9 | ||||
| 195 | N | 36.8 | Very low | 42.4 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -93.3 | 100.5 | 163.7 | -93.4 | 1.6 | 0 | 0 | 0 | 108.8 | V193 T197 | V193-N195 PolarHBondContact O-N 3.13Å; N195-T197 PolarHBondContact O-N 3.23Å | ||
| 196 | T | 37.5 | Very low | 41.1 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -80.3 | 106.6 | 165.2 | -31.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 197 | T | 36.1 | Very low | 40 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | -119.4 | 103.5 | 163.3 | 28.9 | 0 | 0 | 0 | 0 | 109 | N195 | N195-T197 PolarHBondContact O-N 3.23Š| ||
| 198 | S | 34.8 | Very low | 38.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -83 | 120.3 | 163.7 | -60.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 199 | S | 33.5 | Very low | 37.8 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -163.4 | 119 | 148.7 | 48.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 200 | N | 33.5 | Very low | 37.2 | Very low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -52.7 | 144.5 | 171.6 | -70.2 | -33.9 | 0 | 0 | 0 | 113.1 | ||||
| 201 | V | 34.2 | Very low | 36.8 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | -157.3 | 144.2 | 126.8 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 202 | T | 30.3 | Very low | 36 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | trans | -59.6 | 158.3 | -177.5 | 15.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 203 | N | 30.4 | Very low | 35.9 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 107.8 | 126.1 | 136.9 | -95 | -3.6 | 0 | 0 | 0 | 122.1 | ||||
| 204 | Q | 32.3 | Very low | 35.6 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 90.4 | 104.1 | 139.3 | -74.6 | 179.2 | 36.5 | 0 | 0 | 121.2 | ||||
| 205 | S | 31 | Very low | 35.6 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | 36.9 | 118.9 | 126.8 | 60.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 206 | S | 32.1 | Very low | 35.8 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | 178.7 | 149.7 | 111 | 39 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 207 | S | 34.8 | Very low | 35.8 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -44.4 | 136.6 | 176.5 | 51.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 208 | N | 35.3 | Very low | 36 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | 172.7 | 133.4 | 107 | -91 | -28.4 | 0 | 0 | 0 | 111.1 | |||||
| 209 | G | 32.5 | Very low | 36.2 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -75 | 158.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 210 | R | 37.7 | Very low | 36.4 | Very low | 248 Ų | 248 | 149 Ų | 149 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -158.3 | 117.3 | 143.3 | -105.1 | 167.7 | -176.6 | 172.2 | 1.6 | 107.8 | ||||
| 211 | E | 40.9 | Very low | 36.4 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -66.6 | 139.3 | -176.7 | -72.6 | 174.9 | 135.5 | 0 | 0 | 112.3 | ||||
| 212 | V | 38.3 | Very low | 36.5 | Very low | 129 Ų | 129 | 151.4 Ų | 151.4 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -85.3 | 116.7 | 169.4 | 173.5 | 0 | 0 | 0 | 0 | 108 | T214 | V212-T214 PolarHBondContact O-N 3.27Š| ||
| 213 | I | 47.8 | Very low | 36.8 | Very low | 148 Ų | 148 | 155.5 Ų | 155.5 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -78.3 | 102 | 175.7 | -60.4 | 173.3 | 0 | 0 | 0 | 108.6 | L215 | I213-L215 HydrophobicContact CG2-CD2 4.32Å; I213-L215 HydrophobicContact CG2-CG 4.42Å | ||
| 214 | T | 36.8 | Very low | 37.2 | Very low | 119 Ų | 119 | 159 Ų | 159 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | trans | -86.1 | 106.2 | 170.3 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | V212 R216 | V212-T214 PolarHBondContact O-N 3.27Å; T214-R216 PolarHBondContact O-N 3.3Å | ||
| 215 | L | 41.3 | Very low | 37.3 | Very low | 158 Ų | 158 | 156.6 Ų | 156.6 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75 | 119.6 | 173.7 | -68.8 | 170.6 | 0 | 0 | 0 | 110.3 | I213 | I213-L215 HydrophobicContact CG2-CD2 4.32Å; I213-L215 HydrophobicContact CG2-CG 4.42Å |
| 216 | R | 40.8 | Very low | 37.9 | Very low | 231 Ų | 231 | 161.7 Ų | 161.7 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 141.4 | 171.8 | -67.5 | -177.6 | 179.1 | -177 | 0 | 110.3 | T214 | T214-R216 PolarHBondContact O-N 3.3Š|
| 217 | P | 38.4 | Very low | 38.3 | Very low | 132 Ų | 132 | 163.7 Ų | 163.7 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 131.8 | 173.5 | 31.4 | -29.8 | 0 | 0 | 0 | 109.6 | ||
| 218 | N | 38.8 | Very low | 39.1 | Very low | 163 Ų | 163 | 164.9 Ų | 164.9 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -116.9 | 139.3 | 169.6 | -152.7 | 5.9 | 0 | 0 | 0 | 112.2 | ||||
| 219 | K | 39.7 | Very low | 39.3 | Very low | 172 Ų | 172 | 167.5 Ų | 167.5 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | trans | -72.1 | 143.1 | -170.3 | -98.4 | 172.9 | 171.2 | 174 | 0 | 113.6 | ||||
| 220 | Q | 36.8 | Very low | 39.4 | Very low | 167 Ų | 167 | 167.6 Ų | 167.6 | 78% | 0.78 | 84% | 0.835 | S | S | * | * | trans | 47.2 | 124.8 | 133.4 | -65.2 | 175.4 | -12.3 | 0 | 0 | 120.5 | ||||
| 221 | R | 34.8 | Very low | 39.4 | Very low | 232 Ų | 232 | 159.9 Ų | 159.9 | 88% | 0.875 | 83% | 0.833 | S | S | * | * | trans | -151.5 | 108.4 | 133.8 | -120.8 | 171.7 | 90.4 | 166.9 | 2.4 | 114.2 | ||||
| 222 | T | 36.7 | Very low | 39.3 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | 53 | 119.9 | 133.9 | 59.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 223 | K | 36.7 | Very low | 39.3 | Very low | 206 Ų | 206 | 155.5 Ų | 155.5 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | trans | -39.6 | 141 | 153.9 | -68.5 | 174.9 | 173.4 | 178.1 | 0 | 113.8 | ||||
| 224 | K | 37.8 | Very low | 38.9 | Very low | 210 Ų | 210 | 156.1 Ų | 156.1 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -147.7 | 113.9 | 143.1 | -105 | 179.8 | -175.9 | 177.7 | 0 | 110 | ||||
| 225 | S | 34.3 | Very low | 39.3 | Very low | 110 Ų | 110 | 162 Ų | 162 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | trans | -69.3 | 146.4 | 165 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 226 | K | 43.2 | Very low | 39.2 | Very low | 204 Ų | 204 | 162.2 Ų | 162.2 | 89% | 0.887 | 86% | 0.859 | S | S | * | * | trans | -164.6 | 107.4 | 150.2 | -107 | 174.1 | -172.5 | -166.2 | 0 | 109.7 | ||||
| 227 | N | 41.8 | Very low | 39.1 | Very low | 162 Ų | 162 | 158.5 Ų | 158.5 | 87% | 0.866 | 86% | 0.858 | S | S | * | * | trans | -65.7 | 150.7 | 154.6 | -78.3 | -4 | 0 | 0 | 0 | 109.3 | ||||
| 228 | P | 50 | Low | 39.2 | Very low | 120 Ų | 120 | 160 Ų | 160 | 78% | 0.779 | 86% | 0.858 | S | S | * | * | trans | -122.2 | 138.3 | 142.7 | 29.3 | -14 | 0 | 0 | 0 | 111.5 | ||||
| 229 | F | 39.8 | Very low | 39.2 | Very low | 217 Ų | 217 | 159.8 Ų | 159.8 | 95% | 0.952 | 86% | 0.857 | S | S | * | * | trans | -36.2 | 157.5 | 170.1 | -77.5 | -101.7 | 0 | 0 | 0 | 117.2 | ||||
| 230 | G | 35.2 | Very low | 39.1 | Very low | 76 Ų | 76 | 159.1 Ų | 159.1 | 78% | 0.784 | 86% | 0.864 | S | S | * | * | trans | 159.7 | 87.3 | 144.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 231 | G | 37.3 | Very low | 39.3 | Very low | 86 Ų | 86 | 158.5 Ų | 158.5 | 89% | 0.887 | 87% | 0.87 | S | S | * | * | trans | -66.7 | 153.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 232 | C | 38.9 | Very low | 39.6 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 89% | 0.892 | 87% | 0.869 | S | S | * | * | trans | -143.8 | 121.1 | 159.5 | -162 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 233 | S | 37.9 | Very low | 39.8 | Very low | 99 Ų | 99 | 155.8 Ų | 155.8 | 69% | 0.692 | 88% | 0.879 | S | S | * | * | trans | -119.3 | 157.6 | 173.2 | 51.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 234 | L | 39.4 | Very low | 40.1 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 84% | 0.843 | 88% | 0.878 | S | S | * | * | trans | 90.6 | 127 | 178.6 | -55.5 | 151 | 0 | 0 | 0 | 112.1 | ||||
| 235 | L | 45.7 | Very low | 40.3 | Very low | 242 Ų | 242 | 146.3 Ų | 146.3 | 100% | 1.267 | 87% | 0.874 | S | S | * | * | cis | -130.1 | 0 | 22.3 | -83 | 151.7 | 0 | 0 | 0 | 111.9 |
Retrieved 235 of 235 residues in 313.2 ms
(Link to these results)