| 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 | 37.1 | Very low | 69 | Low | 238 Ų | 238 | 111.9 Ų | 111.9 | 100% | 1.172 | 56% | 0.563 | S | S | * | * | 0 | 105.7 | 0 | -74.3 | 165 | 84 | 0 | 0 | 104.4 | E3 | M1-E3 PolarHBondContact O-N 3.32Š| |||
| 2 | L | 42.1 | Very low | 71.3 | Confident | 170 Ų | 170 | 102.6 Ų | 102.6 | 89% | 0.89 | 52% | 0.516 | S | S | * | . | trans | -69.4 | 116.6 | 167.6 | -71.5 | 160.7 | 0 | 0 | 0 | 103.9 | E4 | L2-E4 PolarHBondContact O-N 2.83Š| ||
| 3 | E | 51.2 | Low | 73.1 | Confident | 172 Ų | 172 | 94.8 Ų | 94.8 | 80% | 0.804 | 48% | 0.477 | S | S | * | . | trans | -53.1 | 113.3 | 160 | -71.4 | 173.1 | 171.1 | 0 | 0 | 104.3 | M1 D5 | M1-E3 PolarHBondContact O-N 3.32Å; E3-D5 PolarHBondContact O-N 2.86Å | ||
| 4 | E | 53.5 | Low | 74.7 | Confident | 182 Ų | 182 | 88 Ų | 88 | 85% | 0.85 | 44% | 0.443 | S | S | * | . | trans | -64 | 98.2 | 168.9 | -74.6 | 179.9 | 169.7 | 0 | 0 | 104.3 | L2 M6 | L2-E4 PolarHBondContact O-N 2.83Å; E4-M6 PolarHBondContact O-N 3.01Å | ||
| 5 | D | 58.7 | Low | 75.9 | Confident | 133 Ų | 133 | 82.1 Ų | 82.1 | 71% | 0.711 | 41% | 0.413 | S | S | * | . | trans | -47.7 | 106.2 | 174 | -69 | -46.2 | 0 | 0 | 0 | 106.6 | E3 E7 | E3-D5 PolarHBondContact O-N 2.86Å; D5-E7 VanDerWaalsContact C-N 3.31Å; D5-E7 PolarHBondContact O-N 3Å | ||
| 6 | M | 59.2 | Low | 77 | Confident | 178 Ų | 178 | 77 Ų | 77 | 88% | 0.877 | 39% | 0.387 | S | S | * | . | trans | -67.8 | 96.4 | -175.3 | -73.2 | -153.3 | -56.3 | 0 | 0 | 107.8 | E4 V8 | E4-M6 PolarHBondContact O-N 3.01Å; M6-V8 PolarHBondContact O-N 3.02Å; M6-V8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | E | 77.1 | Confident | 77.9 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 33% | 0.327 | 38% | 0.376 | S | S | . | . | trans | -59.3 | 111.9 | 175.3 | -176.7 | -176 | -156.1 | 0 | 0 | 108.9 | D5 A9 Q50 R59 | D5-E7 VanDerWaalsContact C-N 3.31Å; D5-E7 PolarHBondContact O-N 3Å; E7-A9 PolarHBondContact O-N 3.03Å; E7-A9 VanDerWaalsContact O-N 3.09Å; E7-Q50 PolarHBondContact OE1-NE2 3.35Å; E7-R59 HydrophobicContact CG-CB 3.98Å; E7-R59 VanDerWaalsContact OE1-CB 3.29Å; E7-R59 WeakPolarHBondContact OE1-CB 3.49Å; E7-R59 WeakPolarHBondContact OE1-CD 2.78Å; E7-R59 IonicContact OE1-CZ 3.93Å; E7-R59 IonicContact OE1-NE 3.85Å; E7-R59 IonicContact OE1-NH1 3.34Å; E7-R59 PolarHBondContact OE1-NH1 3.23Å; E7-R59 IonicContact OE2-CZ 3.14Å; E7-R59 VanDerWaalsContact OE2-CZ 3.3Å; E7-R59 IonicContact OE2-NE 3.2Å; E7-R59 IonicContact OE2-NH1 3.85Å; E7-R59 PolarHBondContact OE2-NH1 2.83Å; E7-R59 IonicContact OE2-NH2 3.68Å | ||
| 8 | V | 92.6 | Very high | 78.6 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 104.9 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | M6 I10 D57 V58 R59 Y169 L170 L173 | M6-V8 PolarHBondContact O-N 3.02Å; M6-V8 VanDerWaalsContact O-N 3.09Å; V8-I10 HydrophobicContact CG1-CG1 4.1Å; V8-D57 PolarHBondContact N-O 2.7Å; V8-V58 CarbonylContact O-C 3.54Å; V8-V58 WeakPolarHBondContact O-CA 3.38Å; V8-R59 PolarHBondContact O-N 3.01Å; V8-Y169 HydrophobicContact CG1-CD1 4.31Å; V8-Y169 HydrophobicContact CG1-CE1 4.07Å; V8-L170 HydrophobicContact CB-CD2 4.15Å; V8-L170 HydrophobicContact CG1-CD2 3.88Å; V8-L170 HydrophobicContact CG2-CD2 4.1Å; V8-L173 HydrophobicContact CG1-CD1 3.99Å |
| 9 | A | 95.1 | Very high | 79.3 | Confident | 31 Ų | 31 | 70 Ų | 70 | 26% | 0.256 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E7 R59 M61 Q83 | E7-A9 PolarHBondContact O-N 3.03Å; E7-A9 VanDerWaalsContact O-N 3.09Å; A9-R59 CarbonylContact C-O 3.56Å; A9-R59 WeakPolarHBondContact CA-O 3.36Å; A9-M61 HydrophobicContact CB-SD 4.4Å; A9-Q83 PolarHBondContact O-NE2 3.21Å |
| 10 | I | 96.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.6 | -178.6 | -46.6 | 177 | 0 | 0 | 0 | 109.4 | V8 V12 V58 R59 L60 M61 Q83 A84 A166 Y169 | V8-I10 HydrophobicContact CG1-CG1 4.1Å; I10-V12 HydrophobicContact CG2-CG2 4.29Å; I10-V12 PolarHBondContact O-N 3.32Å; I10-V58 HydrophobicContact CD1-CG1 3.45Å; I10-V58 VanDerWaalsContact CD1-CG1 3.45Å; I10-V58 HydrophobicContact CG1-CG1 3.9Å; I10-R59 PolarHBondContact N-O 2.92Å; I10-L60 HydrophobicContact CB-CD2 3.77Å; I10-L60 HydrophobicContact CD1-CD2 3.9Å; I10-L60 HydrophobicContact CG1-CD2 4.22Å; I10-L60 HydrophobicContact CG2-CD2 4.36Å; I10-M61 PolarHBondContact O-N 3.23Å; I10-Q83 HydrophobicContact CG2-CB 3.78Å; I10-A84 HydrophobicContact CG2-CB 4.18Å; I10-A166 HydrophobicContact CD1-CB 4.3Å; I10-Y169 HydrophobicContact CB-CD1 4.49Å; I10-Y169 HydrophobicContact CD1-CD1 3.46Å; I10-Y169 VanDerWaalsContact CD1-CD1 3.46Å; I10-Y169 HydrophobicContact CD1-CE1 4.32Å; I10-Y169 HydrophobicContact CD1-CG 3.98Å; I10-Y169 HydrophobicContact CG1-CD1 3.56Å; I10-Y169 HydrophobicContact CG1-CE1 3.92Å; I10-Y169 HydrophobicContact CG1-CG 4.3Å; I10-Y169 HydrophobicContact CG2-CD1 4.23Å; I10-Y169 HydrophobicContact CG2-CG 4.22Å |
| 11 | K | 96 | Very high | 80.8 | Confident | 25 Ų | 25 | 64 Ų | 64 | 11% | 0.109 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 114.9 | 168.8 | 179.1 | 168.9 | 173.1 | -177.1 | 0 | 110.2 | W63 Y78 R80 A82 Q83 A84 | K11-W63 HydrophobicContact CD-CZ2 4.45Å; K11-W63 HydrophobicContact CG-CG 4.48Å; K11-Y78 WeakPolarHBondContact CE-O 3.44Å; K11-Y78 PolarHBondContact NZ-O 2.8Å; K11-R80 PolarHBondContact NZ-O 2.84Å; K11-A82 HydrophobicContact CG-CB 4.44Å; K11-Q83 PolarHBondContact O-N 2.92Å; K11-A84 PolarHBondContact O-N 3.29Å; K11-A84 VanDerWaalsContact O-N 3.16Å |
| 12 | V | 96.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127 | 176.2 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | I10 L60 M61 L62 W63 A84 V86 L165 | I10-V12 HydrophobicContact CG2-CG2 4.29Å; I10-V12 PolarHBondContact O-N 3.32Å; V12-L60 HydrophobicContact CG2-CB 4.48Å; V12-L60 HydrophobicContact CG2-CD2 4.01Å; V12-M61 PolarHBondContact N-O 3.45Å; V12-L62 HydrophobicContact CB-CD2 3.61Å; V12-L62 HydrophobicContact CG1-CD2 4.18Å; V12-L62 HydrophobicContact CG2-CD2 3.77Å; V12-W63 PolarHBondContact O-N 2.96Å; V12-A84 WeakPolarHBondContact CA-O 3.31Å; V12-A84 HydrophobicContact CG1-CB 4.33Å; V12-A84 HydrophobicContact CG2-CB 4.19Å; V12-V86 HydrophobicContact CG1-CG2 4.13Å; V12-L165 HydrophobicContact CG1-CD1 3.89Å |
| 13 | V | 94.8 | Very high | 86 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.7 | 169.2 | -66.7 | 0 | 0 | 0 | 0 | 110.1 | V15 W63 Y79 A82 A84 C85 V86 | V13-V15 HydrophobicContact CB-CG1 4.26Å; V13-V15 HydrophobicContact CG2-CG1 4.33Å; V13-W63 HydrophobicContact CG1-CB 4.19Å; V13-Y79 HydrophobicContact CG2-CD1 4.45Å; V13-A82 HydrophobicContact CB-CB 4.48Å; V13-A82 HydrophobicContact CG1-CB 3.79Å; V13-A82 HydrophobicContact CG2-CB 3.92Å; V13-A84 PolarHBondContact N-O 3.06Å; V13-A84 VanDerWaalsContact N-O 3.07Å; V13-C85 HydrophobicContact CG2-CB 3.97Å; V13-C85 CarbonylContact O-C 3.57Å; V13-C85 WeakPolarHBondContact O-CA 3.24Å; V13-V86 PolarHBondContact O-N 3.1Å |
| 14 | V | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 115.9 | 174.9 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | K22 I26 W63 T65 V86 V88 F162 | V14-K22 HydrophobicContact CG1-CB 3.76Å; V14-K22 HydrophobicContact CG1-CD 4.12Å; V14-K22 HydrophobicContact CG1-CG 3.89Å; V14-K22 WeakPolarHBondContact O-CD 3.39Å; V14-I26 HydrophobicContact CB-CD1 4.09Å; V14-I26 HydrophobicContact CG2-CD1 3.81Å; V14-I26 HydrophobicContact CG2-CG1 3.94Å; V14-W63 PolarHBondContact N-O 2.87Å; V14-T65 PolarHBondContact O-OG1 2.81Å; V14-V86 HydrophobicContact CB-CB 4.42Å; V14-V86 HydrophobicContact CG1-CB 4.11Å; V14-V86 HydrophobicContact CG1-CG1 4.3Å; V14-V86 HydrophobicContact CG2-CB 4.17Å; V14-V86 HydrophobicContact CG2-CG2 4.25Å; V14-V88 HydrophobicContact CG1-CG2 3.73Å; V14-F162 HydrophobicContact CG2-CE1 4.49Å |
| 15 | V | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 158.8 | -169.7 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | V13 K22 Y79 V86 L87 V88 W103 V107 | V13-V15 HydrophobicContact CB-CG1 4.26Å; V13-V15 HydrophobicContact CG2-CG1 4.33Å; V15-K22 VanDerWaalsContact C-CD 3.45Å; V15-Y79 HydrophobicContact CG1-CE1 3.69Å; V15-V86 PolarHBondContact N-O 3.12Å; V15-L87 HydrophobicContact CG2-CD2 3.57Å; V15-L87 HydrophobicContact CG2-CG 4.43Å; V15-V88 PolarHBondContact O-N 3.38Å; V15-W103 HydrophobicContact CB-CE3 4.19Å; V15-W103 HydrophobicContact CG2-CB 4.43Å; V15-V107 HydrophobicContact CG2-CG2 4.14Å |
| 16 | G | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 140.8 | 169.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K22 G67 V88 | G16-K22 WeakPolarHBondContact O-CE 3.43Å; G16-K22 PolarHBondContact O-NZ 2.74Å; G16-G67 WeakPolarHBondContact O-CA 3.39Å; G16-V88 WeakPolarHBondContact CA-O 3.12Å | ||
| 17 | N | 92.1 | Very high | 93.6 | Very high | 35 Ų | 35 | 18.8 Ų | 18.8 | 19% | 0.187 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -58.2 | 167.2 | -176.5 | -76.5 | 19.9 | 0 | 0 | 0 | 113.5 | V20 K22 G67 A99 W103 | N17-V20 HydrophobicContact CB-CG1 3.98Å; N17-V20 VanDerWaalsContact O-CG2 3.25Å; N17-V20 WeakPolarHBondContact O-CG2 3.29Å; N17-K22 PolarHBondContact O-NZ 2.92Å; N17-G67 CarbonylContact C-O 3.31Å; N17-G67 VanDerWaalsContact C-O 3.31Å; N17-G67 WeakPolarHBondContact CA-O 3.22Å; N17-A99 VanDerWaalsContact OD1-CB 3.32Å; N17-A99 WeakPolarHBondContact OD1-CB 3.36Å; N17-W103 PolarHBondContact OD1-NE1 2.79Å |
| 18 | G | 90.4 | Very high | 94.6 | Very high | 16 Ų | 16 | 17.3 Ų | 17.3 | 17% | 0.165 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 152.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V20 G67 | G18-V20 PolarHBondContact O-N 2.66Å; G18-G67 PolarHBondContact N-O 3.03Å |
| 19 | A | 91.6 | Very high | 94.8 | Very high | 47 Ų | 47 | 16.1 Ų | 16.1 | 39% | 0.388 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 3.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | G21 Y38 K122 | A19-G21 PolarHBondContact O-N 3.21Å; A19-Y38 HydrophobicContact CB-CD2 4.25Å; A19-Y38 HydrophobicContact CB-CE2 3.73Å; A19-K122 VanDerWaalsContact O-CE 3.27Å; A19-K122 WeakPolarHBondContact O-CE 3.02Å; A19-K122 PolarHBondContact O-NZ 3.22Å |
| 20 | V | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -69.8 | -16.3 | 175.7 | -56 | 0 | 0 | 0 | 0 | 113.6 | N17 G18 K22 V88 N121 | N17-V20 HydrophobicContact CB-CG1 3.98Å; N17-V20 VanDerWaalsContact O-CG2 3.25Å; N17-V20 WeakPolarHBondContact O-CG2 3.29Å; G18-V20 PolarHBondContact O-N 2.66Å; V20-K22 HydrophobicContact CG2-CD 4.24Å; V20-K22 HydrophobicContact CG2-CG 3.61Å; V20-V88 HydrophobicContact CB-CG1 4.21Å; V20-V88 HydrophobicContact CG2-CB 3.94Å; V20-V88 HydrophobicContact CG2-CG1 3.76Å; V20-N121 PolarHBondContact O-ND2 2.88Å |
| 21 | G | 94.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 21.4 Ų | 21.4 | 13% | 0.134 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 107 | 23.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | A19 S24 M25 | A19-G21 PolarHBondContact O-N 3.21Å; G21-S24 PolarHBondContact O-N 2.9Å; G21-M25 WeakPolarHBondContact O-CB 3.31Å; G21-M25 PolarHBondContact O-N 3.4Å |
| 22 | K | 94.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.3 | -56.6 | 178.8 | -54.4 | -170.3 | -57.6 | -71.5 | 0 | 113 | V14 V15 G16 N17 V20 S24 M25 I26 T65 V88 | V14-K22 HydrophobicContact CG1-CB 3.76Å; V14-K22 HydrophobicContact CG1-CD 4.12Å; V14-K22 HydrophobicContact CG1-CG 3.89Å; V14-K22 WeakPolarHBondContact O-CD 3.39Å; V15-K22 VanDerWaalsContact C-CD 3.45Å; G16-K22 WeakPolarHBondContact O-CE 3.43Å; G16-K22 PolarHBondContact O-NZ 2.74Å; N17-K22 PolarHBondContact O-NZ 2.92Å; V20-K22 HydrophobicContact CG2-CD 4.24Å; V20-K22 HydrophobicContact CG2-CG 3.61Å; K22-S24 VanDerWaalsContact C-N 3.3Å; K22-S24 PolarHBondContact O-N 2.89Å; K22-M25 WeakPolarHBondContact O-CB 3.39Å; K22-M25 PolarHBondContact O-N 3.2Å; K22-I26 WeakPolarHBondContact O-CG1 3.34Å; K22-I26 PolarHBondContact O-N 3.45Å; K22-T65 WeakPolarHBondContact CE-O 3.33Å; K22-V88 HydrophobicContact CG-CB 4.24Å; K22-V88 HydrophobicContact CG-CG2 4.29Å |
| 23 | S | 93.7 | Very high | 94.3 | Very high | 28 Ų | 28 | 27 Ų | 27 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.4 | -44.1 | 176.6 | -48.1 | 0 | 0 | 0 | 0 | 111.7 | M25 I26 Q27 T41 D64 | S23-M25 VanDerWaalsContact C-N 3.32Å; S23-M25 PolarHBondContact O-N 3.21Å; S23-I26 PolarHBondContact O-N 2.91Å; S23-Q27 WeakPolarHBondContact O-CB 3.42Å; S23-Q27 VanDerWaalsContact O-CG 3.24Å; S23-Q27 WeakPolarHBondContact O-CG 3.41Å; S23-Q27 PolarHBondContact O-N 3.46Å; S23-T41 PolarHBondContact OG-OG1 3.31Å; S23-D64 WeakPolarHBondContact CA-OD1 3.31Å; S23-D64 WeakPolarHBondContact CA-OD2 3.43Å; S23-D64 WeakPolarHBondContact CB-OD2 3.47Å; S23-D64 PolarHBondContact N-OD1 3.48Å; S23-D64 PolarHBondContact OG-OD1 3.42Å; S23-D64 PolarHBondContact OG-OD2 2.9Å |
| 24 | S | 95.5 | Very high | 94.1 | Very high | 38 Ų | 38 | 30.2 Ų | 30.2 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 176.2 | -52.7 | 0 | 0 | 0 | 0 | 112 | G21 K22 R28 V152 | G21-S24 PolarHBondContact O-N 2.9Å; K22-S24 VanDerWaalsContact C-N 3.3Å; K22-S24 PolarHBondContact O-N 2.89Å; S24-R28 WeakPolarHBondContact O-CB 3.22Å; S24-R28 PolarHBondContact O-N 3.09Å; S24-V152 VanDerWaalsContact C-CG1 3.41Å; S24-V152 VanDerWaalsContact O-CG1 3.29Å; S24-V152 WeakPolarHBondContact O-CG1 3.43Å |
| 25 | M | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 177.1 | 179.3 | 173.8 | -76.5 | 0 | 0 | 111.2 | G21 K22 S23 R28 Y29 V86 V88 V119 T150 V152 V158 F162 | G21-M25 WeakPolarHBondContact O-CB 3.31Å; G21-M25 PolarHBondContact O-N 3.4Å; K22-M25 WeakPolarHBondContact O-CB 3.39Å; K22-M25 PolarHBondContact O-N 3.2Å; S23-M25 VanDerWaalsContact C-N 3.32Å; S23-M25 PolarHBondContact O-N 3.21Å; M25-R28 PolarHBondContact O-N 3.09Å; M25-Y29 WeakPolarHBondContact O-CB 3.47Å; M25-Y29 PolarHBondContact O-N 2.78Å; M25-V86 HydrophobicContact SD-CG1 4.21Å; M25-V88 HydrophobicContact SD-CG2 4.48Å; M25-V119 HydrophobicContact CE-CG1 3.74Å; M25-T150 HydrophobicContact CE-CG2 4.3Å; M25-V152 HydrophobicContact CB-CG2 3.7Å; M25-V152 HydrophobicContact CE-CG2 3.89Å; M25-V152 HydrophobicContact CG-CG2 4.19Å; M25-V158 HydrophobicContact CG-CG1 4.23Å; M25-F162 HydrophobicContact CG-CE2 3.85Å; M25-F162 HydrophobicContact CG-CZ 3.95Å; M25-F162 HydrophobicContact SD-CE2 4.32Å; M25-F162 HydrophobicContact SD-CZ 4.21Å |
| 26 | I | 95.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -48 | 178 | -64.2 | 171.1 | 0 | 0 | 0 | 110.3 | V14 K22 S23 R28 Y29 C30 L47 L62 D64 | V14-I26 HydrophobicContact CB-CD1 4.09Å; V14-I26 HydrophobicContact CG2-CD1 3.81Å; V14-I26 HydrophobicContact CG2-CG1 3.94Å; K22-I26 WeakPolarHBondContact O-CG1 3.34Å; K22-I26 PolarHBondContact O-N 3.45Å; S23-I26 PolarHBondContact O-N 2.91Å; I26-R28 VanDerWaalsContact C-N 3.34Å; I26-R28 PolarHBondContact O-N 2.75Å; I26-Y29 PolarHBondContact O-N 2.82Å; I26-C30 WeakPolarHBondContact O-CB 3.45Å; I26-C30 PolarHBondContact O-N 2.89Å; I26-L47 HydrophobicContact CG2-CB 3.88Å; I26-L47 HydrophobicContact CG2-CD1 3.69Å; I26-L47 HydrophobicContact CG2-CG 4.25Å; I26-L62 HydrophobicContact CB-CD1 4.46Å; I26-L62 HydrophobicContact CD1-CB 4.43Å; I26-L62 HydrophobicContact CG1-CB 4.32Å; I26-L62 HydrophobicContact CG1-CD1 4.34Å; I26-L62 HydrophobicContact CG2-CB 3.85Å; I26-L62 HydrophobicContact CG2-CD1 3.94Å; I26-D64 VanDerWaalsContact CD1-CA 3.43Å; I26-D64 HydrophobicContact CD1-CB 3.47Å; I26-D64 VanDerWaalsContact CD1-CB 3.47Å |
| 27 | Q | 95.2 | Very high | 92.7 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 178.1 | -64.4 | -71.4 | -25.4 | 0 | 0 | 111.7 | S23 K31 G32 I33 L47 | S23-Q27 WeakPolarHBondContact O-CB 3.42Å; S23-Q27 VanDerWaalsContact O-CG 3.24Å; S23-Q27 WeakPolarHBondContact O-CG 3.41Å; S23-Q27 PolarHBondContact O-N 3.46Å; Q27-K31 WeakPolarHBondContact O-CA 3.41Å; Q27-K31 WeakPolarHBondContact O-CB 3.43Å; Q27-K31 PolarHBondContact O-N 2.98Å; Q27-K31 VanDerWaalsContact OE1-CD 3.3Å; Q27-K31 VanDerWaalsContact OE1-CE 3.31Å; Q27-G32 PolarHBondContact O-N 3.16Å; Q27-I33 CarbonylContact C-O 3.57Å; Q27-L47 HydrophobicContact CG-CD1 4.36Å; Q27-L47 VanDerWaalsContact NE2-CD1 3.29Å |
| 28 | R | 96.8 | Very high | 91.8 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 15% | 0.151 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 175.3 | 175.5 | 62.6 | 74.1 | 159.4 | 20.6 | 110.6 | S24 M25 I26 G32 I33 F34 V152 K153 D155 V158 | S24-R28 WeakPolarHBondContact O-CB 3.22Å; S24-R28 PolarHBondContact O-N 3.09Å; M25-R28 PolarHBondContact O-N 3.09Å; I26-R28 VanDerWaalsContact C-N 3.34Å; I26-R28 PolarHBondContact O-N 2.75Å; R28-G32 PolarHBondContact NH1-O 2.72Å; R28-G32 VanDerWaalsContact NH1-O 3.08Å; R28-G32 WeakPolarHBondContact O-CA 3.3Å; R28-G32 PolarHBondContact O-N 3.34Å; R28-I33 WeakPolarHBondContact CA-O 3.31Å; R28-I33 PolarHBondContact N-O 3.38Å; R28-F34 VanDerWaalsContact CZ-CB 3.46Å; R28-V152 HydrophobicContact CB-CG1 3.85Å; R28-V152 HydrophobicContact CG-CG1 4.38Å; R28-V152 PolarHBondContact NE-O 3.24Å; R28-V152 PolarHBondContact NH2-O 3.33Å; R28-K153 PolarHBondContact NH2-O 2.94Å; R28-D155 WeakPolarHBondContact CD-OD1 3.18Å; R28-D155 WeakPolarHBondContact CG-OD1 3.33Å; R28-V158 HydrophobicContact CG-CG1 4.21Å; R28-V158 HydrophobicContact CG-CG2 4.35Å |
| 29 | Y | 97.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | -178.8 | -178.7 | -107 | 0 | 0 | 0 | 112.4 | M25 I26 R49 L60 L62 V158 N159 F162 | M25-Y29 WeakPolarHBondContact O-CB 3.47Å; M25-Y29 PolarHBondContact O-N 2.78Å; I26-Y29 PolarHBondContact O-N 2.82Å; Y29-R49 HydrophobicContact CD1-CB 4.36Å; Y29-R49 VanDerWaalsContact CD2-NH1 3.26Å; Y29-R49 HydrophobicContact CE1-CB 3.9Å; Y29-R49 HydrophobicContact CE1-CG 4.13Å; Y29-R49 VanDerWaalsContact O-CD 3.22Å; Y29-R49 WeakPolarHBondContact O-CD 3.39Å; Y29-R49 PolarHBondContact O-NH1 3.12Å; Y29-L60 HydrophobicContact CE1-CD1 4.09Å; Y29-L62 HydrophobicContact CD1-CD1 3.61Å; Y29-L62 HydrophobicContact CE1-CD1 4.19Å; Y29-V158 HydrophobicContact CD2-CG1 4.41Å; Y29-N159 WeakPolarHBondContact CD2-OD1 3.4Å; Y29-N159 HydrophobicContact CE2-CB 4.44Å; Y29-N159 WeakPolarHBondContact CE2-OD1 3.36Å; Y29-F162 HydrophobicContact CD1-CB 4.47Å; Y29-F162 AromaticContact CD1-CD2 3.77Å; Y29-F162 HydrophobicContact CD1-CD2 3.77Å; Y29-F162 HydrophobicContact CD1-CE2 4.11Å; Y29-F162 HydrophobicContact CD1-CG 4.01Å; Y29-F162 HydrophobicContact CD2-CB 4.21Å; Y29-F162 AromaticContact CD2-CD2 3.37Å; Y29-F162 HydrophobicContact CD2-CD2 3.37Å; Y29-F162 HydrophobicContact CD2-CE2 4.06Å; Y29-F162 HydrophobicContact CD2-CG 4.07Å; Y29-F162 HydrophobicContact CE1-CB 3.9Å; Y29-F162 HydrophobicContact CE1-CD1 4.48Å; Y29-F162 HydrophobicContact CE1-CD2 4.07Å; Y29-F162 AromaticContact CE1-CG 3.9Å; Y29-F162 HydrophobicContact CE1-CG 3.9Å; Y29-F162 HydrophobicContact CE2-CB 3.65Å; Y29-F162 AromaticContact CE2-CD2 3.74Å; Y29-F162 HydrophobicContact CE2-CD2 3.74Å; Y29-F162 HydrophobicContact CE2-CG 4Å; Y29-F162 AromaticContact CG-CD2 3.37Å; Y29-F162 HydrophobicContact CG-CD2 3.37Å; Y29-F162 AromaticContact CG-CE2 3.67Å; Y29-F162 HydrophobicContact CG-CE2 3.67Å; Y29-F162 HydrophobicContact CG-CG 4.06Å; Y29-F162 VanDerWaalsContact CZ-CB 3.46Å; Y29-F162 AromaticContact CZ-CG 3.9Å |
| 30 | C | 95.8 | Very high | 90.5 | Very high | 31 Ų | 31 | 62.6 Ų | 62.6 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -79.5 | -35.4 | -176.4 | -73.3 | 0 | 0 | 0 | 0 | 113.6 | I26 L47 | I26-C30 WeakPolarHBondContact O-CB 3.45Å; I26-C30 PolarHBondContact O-N 2.89Å; C30-L47 HydrophobicContact CB-CB 4.21Å; C30-L47 HydrophobicContact CB-CD1 4.13Å |
| 31 | K | 93.9 | Very high | 89.5 | Confident | 111 Ų | 111 | 64.1 Ų | 64.1 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -121.8 | -7.7 | -168.7 | -55 | -176.2 | -172.8 | 161.1 | 0 | 114.1 | Q27 I33 | Q27-K31 WeakPolarHBondContact O-CA 3.41Å; Q27-K31 WeakPolarHBondContact O-CB 3.43Å; Q27-K31 PolarHBondContact O-N 2.98Å; Q27-K31 VanDerWaalsContact OE1-CD 3.3Å; Q27-K31 VanDerWaalsContact OE1-CE 3.31Å; K31-I33 HydrophobicContact CB-CB 4.4Å; K31-I33 HydrophobicContact CB-CD1 3.9Å; K31-I33 HydrophobicContact CB-CG1 4.08Å; K31-I33 HydrophobicContact CD-CD1 4.45Å; K31-I33 PolarHBondContact O-N 2.97Å |
| 32 | G | 93.3 | Very high | 88.4 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 71.7 | 6.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q27 R28 | Q27-G32 PolarHBondContact O-N 3.16Å; R28-G32 PolarHBondContact NH1-O 2.72Å; R28-G32 VanDerWaalsContact NH1-O 3.08Å; R28-G32 WeakPolarHBondContact O-CA 3.3Å; R28-G32 PolarHBondContact O-N 3.34Å |
| 33 | I | 91.2 | Very high | 87.2 | Confident | 101 Ų | 101 | 72.5 Ų | 72.5 | 52% | 0.518 | 37% | 0.371 | S | S | . | . | trans | -98.5 | 139.5 | -171.3 | -61.2 | 167.4 | 0 | 0 | 0 | 110.7 | Q27 R28 K31 | Q27-I33 CarbonylContact C-O 3.57Å; R28-I33 WeakPolarHBondContact CA-O 3.31Å; R28-I33 PolarHBondContact N-O 3.38Å; K31-I33 HydrophobicContact CB-CB 4.4Å; K31-I33 HydrophobicContact CB-CD1 3.9Å; K31-I33 HydrophobicContact CB-CG1 4.08Å; K31-I33 HydrophobicContact CD-CD1 4.45Å; K31-I33 PolarHBondContact O-N 2.97Å | ||
| 34 | F | 91.4 | Very high | 86.3 | Confident | 68 Ų | 68 | 73.3 Ų | 73.3 | 30% | 0.298 | 38% | 0.375 | S | S | . | . | trans | -130.7 | 137.4 | 166.7 | 172.1 | -99.1 | 0 | 0 | 0 | 110.3 | R28 K36 V152 K153 | R28-F34 VanDerWaalsContact CZ-CB 3.46Å; F34-K36 HydrophobicContact CE1-CG 3.73Å; F34-K36 HydrophobicContact CZ-CG 4.3Å; F34-V152 HydrophobicContact CD2-CG1 3.95Å; F34-V152 HydrophobicContact CE2-CG1 4.39Å; F34-K153 HydrophobicContact CD1-CB 4.44Å; F34-K153 HydrophobicContact CD1-CG 4.21Å; F34-K153 HydrophobicContact CE1-CB 3.96Å; F34-K153 HydrophobicContact CE1-CG 3.67Å; F34-K153 HydrophobicContact CE2-CB 4.14Å; F34-K153 HydrophobicContact CZ-CB 3.79Å; F34-K153 HydrophobicContact CZ-CG 3.97Å | ||
| 35 | T | 86.8 | Confident | 85.5 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | trans | -122.6 | 141.9 | 169.5 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | D37 | T35-D37 VanDerWaalsContact C-N 3.31Å; T35-D37 PolarHBondContact OG1-N 3.41Å | ||
| 36 | K | 81 | Confident | 84.9 | Confident | 171 Ų | 171 | 79 Ų | 79 | 74% | 0.743 | 40% | 0.398 | S | S | * | . | trans | -77.2 | -21.5 | 173.2 | -69.9 | -175.8 | 179 | -179.2 | 0 | 112.2 | F34 Y38 | F34-K36 HydrophobicContact CE1-CG 3.73Å; F34-K36 HydrophobicContact CZ-CG 4.3Å; K36-Y38 PolarHBondContact O-N 2.98Å; K36-Y38 VanDerWaalsContact O-N 3.09Å | ||
| 37 | D | 82.4 | Confident | 84.8 | Confident | 113 Ų | 113 | 80.2 Ų | 80.2 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | trans | -68.5 | 111.1 | -176.3 | -63.9 | -27.6 | 0 | 0 | 0 | 109.8 | T35 K39 | T35-D37 VanDerWaalsContact C-N 3.31Å; T35-D37 PolarHBondContact OG1-N 3.41Å; D37-K39 PolarHBondContact O-N 2.99Å | ||
| 38 | Y | 74.8 | Confident | 84.8 | Confident | 137 Ų | 137 | 82.8 Ų | 82.8 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | trans | -70.8 | 117 | 173.8 | 178.8 | -110.1 | 0 | 0 | 0 | 109.7 | A19 K36 K40 | A19-Y38 HydrophobicContact CB-CD2 4.25Å; A19-Y38 HydrophobicContact CB-CE2 3.73Å; K36-Y38 PolarHBondContact O-N 2.98Å; K36-Y38 VanDerWaalsContact O-N 3.09Å; Y38-K40 HydrophobicContact CE1-CB 4.29Å | ||
| 39 | K | 76.9 | Confident | 84.7 | Confident | 170 Ų | 170 | 85.1 Ų | 85.1 | 74% | 0.739 | 43% | 0.426 | S | S | * | . | trans | -116.1 | 120.2 | 167.2 | -65.6 | -177.1 | -179.4 | 179.2 | 0 | 107.4 | D37 T41 | D37-K39 PolarHBondContact O-N 2.99Å; K39-T41 PolarHBondContact O-N 3.05Å | ||
| 40 | K | 77.6 | Confident | 84.6 | Confident | 111 Ų | 111 | 91.3 Ų | 91.3 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 123.8 | 174.3 | 178.8 | 174.4 | 166.8 | 172 | 0 | 108.2 | Y38 I42 | Y38-K40 HydrophobicContact CE1-CB 4.29Å; K40-I42 PolarHBondContact O-N 3.46Å |
| 41 | T | 74.4 | Confident | 84.6 | Confident | 32 Ų | 32 | 91 Ų | 91 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 120.5 | 173.7 | -44.7 | 0 | 0 | 0 | 0 | 108.6 | S23 K39 A66 | S23-T41 PolarHBondContact OG-OG1 3.31Å; K39-T41 PolarHBondContact O-N 3.05Å; T41-A66 WeakPolarHBondContact O-CB 3.13Å |
| 42 | I | 71.5 | Confident | 84.6 | Confident | 161 Ų | 161 | 90.9 Ų | 90.9 | 83% | 0.826 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -103.2 | 116.9 | 175.1 | -60.8 | 174.8 | 0 | 0 | 0 | 106.7 | K40 | K40-I42 PolarHBondContact O-N 3.46Š|
| 43 | G | 68.8 | Low | 84.6 | Confident | 37 Ų | 37 | 89 Ų | 89 | 38% | 0.381 | 44% | 0.435 | S | S | . | . | S | Bend | trans | 77 | -141.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A66 | G43-A66 WeakPolarHBondContact O-CB 3.37Å; G43-A66 PolarHBondContact O-N 2.99Å |
| 44 | V | 74.1 | Confident | 84.5 | Confident | 45 Ų | 45 | 88.4 Ų | 88.4 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 132.4 | -176.8 | 169.4 | 0 | 0 | 0 | 0 | 109.8 | W63 D64 T65 Y78 | V44-W63 HydrophobicContact CG1-CE3 3.69Å; V44-W63 HydrophobicContact CG1-CZ3 4.21Å; V44-D64 VanDerWaalsContact CA-O 3.29Å; V44-D64 WeakPolarHBondContact CA-O 3.39Å; V44-T65 HydrophobicContact CG2-CG2 4.43Å; V44-Y78 HydrophobicContact CB-CD1 4.11Å; V44-Y78 HydrophobicContact CB-CE1 3.67Å; V44-Y78 HydrophobicContact CG1-CD1 4.09Å; V44-Y78 HydrophobicContact CG1-CE1 4.11Å; V44-Y78 HydrophobicContact CG2-CD1 3.6Å; V44-Y78 HydrophobicContact CG2-CD2 3.69Å; V44-Y78 HydrophobicContact CG2-CE1 3.29Å; V44-Y78 HydrophobicContact CG2-CE2 3.36Å; V44-Y78 HydrophobicContact CG2-CG 3.8Å |
| 45 | D | 79.9 | Confident | 84.4 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 154.6 | 174.2 | -163.1 | 11.3 | 0 | 0 | 0 | 109.7 | D64 | D45-D64 HydrophobicContact CB-CB 4.1Å; D45-D64 PolarHBondContact N-O 3.08Å; D45-D64 VanDerWaalsContact N-O 3.16Å; D45-D64 WeakPolarHBondContact O-CB 3.42Å; D45-D64 PolarHBondContact O-N 3.46Å |
| 46 | F | 84.1 | Confident | 84.6 | Confident | 79 Ų | 79 | 91.4 Ų | 91.4 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.5 | -175.3 | 170.2 | -100.9 | 0 | 0 | 0 | 109.9 | E48 M61 | F46-E48 HydrophobicContact CE1-CB 4.41Å; F46-E48 HydrophobicContact CE1-CG 4.43Å; F46-E48 HydrophobicContact CZ-CB 3.96Å; F46-E48 HydrophobicContact CZ-CG 4.4Å; F46-M61 HydrophobicContact CE2-CB 3.69Å; F46-M61 HydrophobicContact CE2-CE 3.59Å; F46-M61 HydrophobicContact CE2-CG 3.91Å; F46-M61 HydrophobicContact CZ-CB 4.26Å; F46-M61 HydrophobicContact CZ-CE 3.69Å; F46-M61 HydrophobicContact CZ-CG 3.97Å |
| 47 | L | 93.4 | Very high | 85.2 | Confident | 28 Ų | 28 | 87.8 Ų | 87.8 | 15% | 0.147 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 150.2 | 170.9 | -71.9 | 174.1 | 0 | 0 | 0 | 109.8 | I26 Q27 C30 L62 | I26-L47 HydrophobicContact CG2-CB 3.88Å; I26-L47 HydrophobicContact CG2-CD1 3.69Å; I26-L47 HydrophobicContact CG2-CG 4.25Å; Q27-L47 HydrophobicContact CG-CD1 4.36Å; Q27-L47 VanDerWaalsContact NE2-CD1 3.29Å; C30-L47 HydrophobicContact CB-CB 4.21Å; C30-L47 HydrophobicContact CB-CD1 4.13Å; L47-L62 PolarHBondContact N-O 3.3Å; L47-L62 VanDerWaalsContact N-O 3.12Å; L47-L62 WeakPolarHBondContact O-CA 3.06Å; L47-L62 WeakPolarHBondContact O-CB 3.22Å; L47-L62 PolarHBondContact O-N 3.49Å |
| 48 | E | 95.4 | Very high | 85.9 | Confident | 102 Ų | 102 | 82.5 Ų | 82.5 | 48% | 0.477 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 155.1 | 174.8 | 61.7 | -176.9 | -156.5 | 0 | 0 | 111.8 | F46 R59 L60 | F46-E48 HydrophobicContact CE1-CB 4.41Å; F46-E48 HydrophobicContact CE1-CG 4.43Å; F46-E48 HydrophobicContact CZ-CB 3.96Å; F46-E48 HydrophobicContact CZ-CG 4.4Å; E48-R59 HydrophobicContact CB-CG 4.39Å; E48-R59 IonicContact OE2-NE 3.46Å; E48-L60 CarbonylContact C-O 3.59Å; E48-L60 WeakPolarHBondContact CA-O 3.36Å; E48-L60 WeakPolarHBondContact CB-O 3.36Å |
| 49 | R | 95.4 | Very high | 86.9 | Confident | 88 Ų | 88 | 79.2 Ų | 79.2 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 130.4 | 173.1 | -178.2 | 168.9 | 176.9 | -160 | -3.5 | 109.5 | Y29 L60 N159 | Y29-R49 HydrophobicContact CD1-CB 4.36Å; Y29-R49 VanDerWaalsContact CD2-NH1 3.26Å; Y29-R49 HydrophobicContact CE1-CB 3.9Å; Y29-R49 HydrophobicContact CE1-CG 4.13Å; Y29-R49 VanDerWaalsContact O-CD 3.22Å; Y29-R49 WeakPolarHBondContact O-CD 3.39Å; Y29-R49 PolarHBondContact O-NH1 3.12Å; R49-L60 PolarHBondContact N-O 3.22Å; R49-L60 PolarHBondContact O-N 2.86Å; R49-N159 PolarHBondContact NH1-OD1 2.84Å |
| 50 | Q | 95.5 | Very high | 87.9 | Confident | 136 Ų | 136 | 71.1 Ų | 71.1 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 143.7 | 169.5 | -71.7 | 175.6 | -21 | 0 | 0 | 110.4 | E7 V58 R59 | E7-Q50 PolarHBondContact OE1-NE2 3.35Å; Q50-V58 CarbonylContact C-O 3.55Å; Q50-V58 VanDerWaalsContact CA-O 3.3Å; Q50-V58 WeakPolarHBondContact CA-O 3.47Å; Q50-R59 HydrophobicContact CG-CB 4.33Å; Q50-R59 HydrophobicContact CG-CG 4.34Å |
| 51 | L | 94.6 | Very high | 88.8 | Confident | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 149.1 | 174.7 | 69.8 | 162 | 0 | 0 | 0 | 110.4 | V53 V58 L60 A166 | L51-V53 HydrophobicContact CD1-CG2 3.43Å; L51-V53 VanDerWaalsContact CD1-CG2 3.43Å; L51-V53 HydrophobicContact CG-CG2 3.78Å; L51-V58 HydrophobicContact CD2-CB 4.05Å; L51-V58 HydrophobicContact CD2-CG1 4.09Å; L51-V58 WeakPolarHBondContact CD2-O 3.15Å; L51-V58 HydrophobicContact CG-CB 4.4Å; L51-V58 PolarHBondContact N-O 3.35Å; L51-V58 PolarHBondContact O-N 3.21Å; L51-L60 HydrophobicContact CD1-CD1 4.45Å; L51-L60 HydrophobicContact CD2-CB 4.46Å; L51-L60 HydrophobicContact CD2-CD1 3.72Å; L51-L60 HydrophobicContact CD2-CD2 4.41Å; L51-L60 HydrophobicContact CD2-CG 3.52Å; L51-A166 HydrophobicContact CD1-CB 4.3Å |
| 52 | L | 93.9 | Very high | 89.8 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.3 | 172.5 | -172.5 | 70.5 | 0 | 0 | 0 | 109.6 | ||
| 53 | V | 93.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 121.7 | 178.8 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | L51 D55 E56 V58 K163 A166 D167 L170 | L51-V53 HydrophobicContact CD1-CG2 3.43Å; L51-V53 VanDerWaalsContact CD1-CG2 3.43Å; L51-V53 HydrophobicContact CG-CG2 3.78Å; V53-D55 PolarHBondContact O-N 3.28Å; V53-E56 PolarHBondContact N-O 3.26Å; V53-E56 WeakPolarHBondContact O-CB 3.18Å; V53-E56 PolarHBondContact O-N 3.23Å; V53-V58 HydrophobicContact CB-CG2 4.41Å; V53-K163 HydrophobicContact CG2-CG 4.43Å; V53-A166 HydrophobicContact CG2-CB 4Å; V53-D167 HydrophobicContact CG1-CB 3.91Å; V53-L170 HydrophobicContact CB-CD1 4.13Å; V53-L170 HydrophobicContact CG1-CD1 4.11Å |
| 54 | N | 89.1 | Confident | 91.4 | Very high | 87 Ų | 87 | 60.2 Ų | 60.2 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 43.3 | -177 | -53.8 | -38.4 | 0 | 0 | 0 | 112.8 | E56 D167 | N54-E56 PolarHBondContact O-N 3.35Å; N54-D167 PolarHBondContact ND2-OD1 3.07Å |
| 55 | D | 89.3 | Confident | 91.6 | Very high | 151 Ų | 151 | 58.2 Ų | 58.2 | 81% | 0.807 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 17.8 | -177.2 | -51.2 | -49.2 | 0 | 0 | 0 | 114.8 | V53 | V53-D55 PolarHBondContact O-N 3.28Š|
| 56 | E | 91.1 | Very high | 91.2 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.4 | 172.9 | -70.6 | 173.4 | -146.2 | 0 | 0 | 111.2 | V53 N54 V58 L170 K174 | V53-E56 PolarHBondContact N-O 3.26Å; V53-E56 WeakPolarHBondContact O-CB 3.18Å; V53-E56 PolarHBondContact O-N 3.23Å; N54-E56 PolarHBondContact O-N 3.35Å; E56-V58 PolarHBondContact O-N 3.03Å; E56-L170 HydrophobicContact CB-CD1 4.1Å; E56-L170 WeakPolarHBondContact OE2-CD2 3.46Å; E56-K174 WeakPolarHBondContact OE1-CE 3.2Å; E56-K174 IonicContact OE1-NZ 2.66Å; E56-K174 PolarHBondContact OE1-NZ 3.14Å |
| 57 | D | 93.9 | Very high | 90.1 | Very high | 95 Ų | 95 | 52.4 Ų | 52.4 | 51% | 0.508 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 115.2 | 172.9 | -77.3 | -43.9 | 0 | 0 | 0 | 110.4 | V8 | V8-D57 PolarHBondContact N-O 2.7Å |
| 58 | V | 96.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.4 | -177.9 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | V8 I10 Q50 L51 V53 E56 L60 A166 L170 | V8-V58 CarbonylContact O-C 3.54Å; V8-V58 WeakPolarHBondContact O-CA 3.38Å; I10-V58 HydrophobicContact CD1-CG1 3.45Å; I10-V58 VanDerWaalsContact CD1-CG1 3.45Å; I10-V58 HydrophobicContact CG1-CG1 3.9Å; Q50-V58 CarbonylContact C-O 3.55Å; Q50-V58 VanDerWaalsContact CA-O 3.3Å; Q50-V58 WeakPolarHBondContact CA-O 3.47Å; L51-V58 HydrophobicContact CD2-CB 4.05Å; L51-V58 HydrophobicContact CD2-CG1 4.09Å; L51-V58 WeakPolarHBondContact CD2-O 3.15Å; L51-V58 HydrophobicContact CG-CB 4.4Å; L51-V58 PolarHBondContact N-O 3.35Å; L51-V58 PolarHBondContact O-N 3.21Å; V53-V58 HydrophobicContact CB-CG2 4.41Å; E56-V58 PolarHBondContact O-N 3.03Å; V58-L60 HydrophobicContact CG1-CD2 3.97Å; V58-L60 HydrophobicContact CG1-CG 4.45Å; V58-A166 HydrophobicContact CG1-CB 4.18Å; V58-L170 HydrophobicContact CG2-CD1 3.79Å; V58-L170 HydrophobicContact CG2-CD2 4.09Å; V58-L170 HydrophobicContact CG2-CG 4.2Å |
| 59 | R | 96.8 | Very high | 86.9 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 25% | 0.253 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112.3 | 168.1 | -174.5 | 173.1 | 65.8 | -147.2 | -6 | 110.6 | E7 V8 A9 I10 E48 Q50 | E7-R59 HydrophobicContact CG-CB 3.98Å; E7-R59 VanDerWaalsContact OE1-CB 3.29Å; E7-R59 WeakPolarHBondContact OE1-CB 3.49Å; E7-R59 WeakPolarHBondContact OE1-CD 2.78Å; E7-R59 IonicContact OE1-CZ 3.93Å; E7-R59 IonicContact OE1-NE 3.85Å; E7-R59 IonicContact OE1-NH1 3.34Å; E7-R59 PolarHBondContact OE1-NH1 3.23Å; E7-R59 IonicContact OE2-CZ 3.14Å; E7-R59 VanDerWaalsContact OE2-CZ 3.3Å; E7-R59 IonicContact OE2-NE 3.2Å; E7-R59 IonicContact OE2-NH1 3.85Å; E7-R59 PolarHBondContact OE2-NH1 2.83Å; E7-R59 IonicContact OE2-NH2 3.68Å; V8-R59 PolarHBondContact O-N 3.01Å; A9-R59 CarbonylContact C-O 3.56Å; A9-R59 WeakPolarHBondContact CA-O 3.36Å; I10-R59 PolarHBondContact N-O 2.92Å; E48-R59 HydrophobicContact CB-CG 4.39Å; E48-R59 IonicContact OE2-NE 3.46Å; Q50-R59 HydrophobicContact CG-CB 4.33Å; Q50-R59 HydrophobicContact CG-CG 4.34Å |
| 60 | L | 97.3 | Very high | 85 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 123.5 | 170.7 | -61.9 | -177.8 | 0 | 0 | 0 | 109.8 | I10 V12 Y29 E48 R49 L51 V58 L62 F162 A166 | I10-L60 HydrophobicContact CB-CD2 3.77Å; I10-L60 HydrophobicContact CD1-CD2 3.9Å; I10-L60 HydrophobicContact CG1-CD2 4.22Å; I10-L60 HydrophobicContact CG2-CD2 4.36Å; V12-L60 HydrophobicContact CG2-CB 4.48Å; V12-L60 HydrophobicContact CG2-CD2 4.01Å; Y29-L60 HydrophobicContact CE1-CD1 4.09Å; E48-L60 CarbonylContact C-O 3.59Å; E48-L60 WeakPolarHBondContact CA-O 3.36Å; E48-L60 WeakPolarHBondContact CB-O 3.36Å; R49-L60 PolarHBondContact N-O 3.22Å; R49-L60 PolarHBondContact O-N 2.86Å; L51-L60 HydrophobicContact CD1-CD1 4.45Å; L51-L60 HydrophobicContact CD2-CB 4.46Å; L51-L60 HydrophobicContact CD2-CD1 3.72Å; L51-L60 HydrophobicContact CD2-CD2 4.41Å; L51-L60 HydrophobicContact CD2-CG 3.52Å; V58-L60 HydrophobicContact CG1-CD2 3.97Å; V58-L60 HydrophobicContact CG1-CG 4.45Å; L60-L62 HydrophobicContact CB-CD2 3.97Å; L60-F162 HydrophobicContact CD1-CB 3.73Å; L60-F162 HydrophobicContact CD1-CD1 4.35Å; L60-F162 HydrophobicContact CD1-CG 4.43Å; L60-A166 HydrophobicContact CD2-CB 4.25Å |
| 61 | M | 96.2 | Very high | 83.2 | Confident | 47 Ų | 47 | 54 Ų | 54 | 23% | 0.232 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 97.9 | 175.2 | -76.8 | -176.1 | 73.7 | 0 | 0 | 108 | A9 I10 V12 F46 | A9-M61 HydrophobicContact CB-SD 4.4Å; I10-M61 PolarHBondContact O-N 3.23Å; V12-M61 PolarHBondContact N-O 3.45Å; F46-M61 HydrophobicContact CE2-CB 3.69Å; F46-M61 HydrophobicContact CE2-CE 3.59Å; F46-M61 HydrophobicContact CE2-CG 3.91Å; F46-M61 HydrophobicContact CZ-CB 4.26Å; F46-M61 HydrophobicContact CZ-CE 3.69Å; F46-M61 HydrophobicContact CZ-CG 3.97Å |
| 62 | L | 95.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.4 | -173.2 | -53.8 | -171.2 | 0 | 0 | 0 | 111.1 | V12 I26 Y29 L47 L60 F162 | V12-L62 HydrophobicContact CB-CD2 3.61Å; V12-L62 HydrophobicContact CG1-CD2 4.18Å; V12-L62 HydrophobicContact CG2-CD2 3.77Å; I26-L62 HydrophobicContact CB-CD1 4.46Å; I26-L62 HydrophobicContact CD1-CB 4.43Å; I26-L62 HydrophobicContact CG1-CB 4.32Å; I26-L62 HydrophobicContact CG1-CD1 4.34Å; I26-L62 HydrophobicContact CG2-CB 3.85Å; I26-L62 HydrophobicContact CG2-CD1 3.94Å; Y29-L62 HydrophobicContact CD1-CD1 3.61Å; Y29-L62 HydrophobicContact CE1-CD1 4.19Å; L47-L62 PolarHBondContact N-O 3.3Å; L47-L62 VanDerWaalsContact N-O 3.12Å; L47-L62 WeakPolarHBondContact O-CA 3.06Å; L47-L62 WeakPolarHBondContact O-CB 3.22Å; L47-L62 PolarHBondContact O-N 3.49Å; L60-L62 HydrophobicContact CB-CD2 3.97Å; L62-F162 HydrophobicContact CD1-CD1 4.32Å; L62-F162 HydrophobicContact CD1-CE1 3.85Å; L62-F162 HydrophobicContact CD1-CZ 4.05Å; L62-F162 HydrophobicContact CD2-CD1 3.82Å; L62-F162 HydrophobicContact CD2-CE1 3.63Å; L62-F162 HydrophobicContact CG-CE1 4.42Å |
| 63 | W | 91.4 | Very high | 79.9 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.7 | 178.3 | -69.5 | 69.5 | 0 | 0 | 0 | 109.5 | K11 V12 V13 V14 V44 T65 Y78 | K11-W63 HydrophobicContact CD-CZ2 4.45Å; K11-W63 HydrophobicContact CG-CG 4.48Å; V12-W63 PolarHBondContact O-N 2.96Å; V13-W63 HydrophobicContact CG1-CB 4.19Å; V14-W63 PolarHBondContact N-O 2.87Å; V44-W63 HydrophobicContact CG1-CE3 3.69Å; V44-W63 HydrophobicContact CG1-CZ3 4.21Å; W63-T65 PolarHBondContact O-N 3.48Å; W63-Y78 HydrophobicContact CE3-CD1 4.31Å; W63-Y78 HydrophobicContact CZ3-CD1 4.29Å |
| 64 | D | 84.1 | Confident | 78.3 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.032 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 104.9 | 175.6 | -172.4 | 20.3 | 0 | 0 | 0 | 109.8 | S23 I26 V44 D45 | S23-D64 WeakPolarHBondContact CA-OD1 3.31Å; S23-D64 WeakPolarHBondContact CA-OD2 3.43Å; S23-D64 WeakPolarHBondContact CB-OD2 3.47Å; S23-D64 PolarHBondContact N-OD1 3.48Å; S23-D64 PolarHBondContact OG-OD1 3.42Å; S23-D64 PolarHBondContact OG-OD2 2.9Å; I26-D64 VanDerWaalsContact CD1-CA 3.43Å; I26-D64 HydrophobicContact CD1-CB 3.47Å; I26-D64 VanDerWaalsContact CD1-CB 3.47Å; V44-D64 VanDerWaalsContact CA-O 3.29Å; V44-D64 WeakPolarHBondContact CA-O 3.39Å; D45-D64 HydrophobicContact CB-CB 4.1Å; D45-D64 PolarHBondContact N-O 3.08Å; D45-D64 VanDerWaalsContact N-O 3.16Å; D45-D64 WeakPolarHBondContact O-CB 3.42Å; D45-D64 PolarHBondContact O-N 3.46Å |
| 65 | T | 76.8 | Confident | 77.3 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 140.3 | 178.2 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | V14 K22 V44 W63 G67 E69 | V14-T65 PolarHBondContact O-OG1 2.81Å; K22-T65 WeakPolarHBondContact CE-O 3.33Å; V44-T65 HydrophobicContact CG2-CG2 4.43Å; W63-T65 PolarHBondContact O-N 3.48Å; T65-G67 PolarHBondContact O-N 2.91Å; T65-E69 PolarHBondContact OG1-OE1 3.37Å |
| 66 | A | 71.3 | Confident | 76.7 | Confident | 24 Ų | 24 | 55 Ų | 55 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | trans | -61.1 | 119.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T41 G43 Q68 E69 | T41-A66 WeakPolarHBondContact O-CB 3.13Å; G43-A66 WeakPolarHBondContact O-CB 3.37Å; G43-A66 PolarHBondContact O-N 2.99Å; A66-Q68 PolarHBondContact O-N 3.29Å; A66-E69 WeakPolarHBondContact O-CG 3.38Å | ||
| 67 | G | 62 | Low | 76.2 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -73.1 | 15 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | G16 N17 G18 T65 | G16-G67 WeakPolarHBondContact O-CA 3.39Å; N17-G67 CarbonylContact C-O 3.31Å; N17-G67 VanDerWaalsContact C-O 3.31Å; N17-G67 WeakPolarHBondContact CA-O 3.22Å; G18-G67 PolarHBondContact N-O 3.03Å; T65-G67 PolarHBondContact O-N 2.91Å |
| 68 | Q | 59.8 | Low | 75.6 | Confident | 86 Ų | 86 | 53.7 Ų | 53.7 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | trans | -124.1 | 62.2 | -178.6 | -72.4 | -175.6 | -16.2 | 0 | 0 | 107.6 | A66 E70 | A66-Q68 PolarHBondContact O-N 3.29Å; Q68-E70 PolarHBondContact O-N 2.99Å | ||
| 69 | E | 61.2 | Low | 75.2 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | trans | -72.4 | 69.5 | -168.8 | -63.9 | -174 | -156 | 0 | 0 | 111.3 | T65 A66 F71 T75 Y79 W103 | T65-E69 PolarHBondContact OG1-OE1 3.37Å; A66-E69 WeakPolarHBondContact O-CG 3.38Å; E69-F71 PolarHBondContact O-N 3.42Å; E69-T75 WeakPolarHBondContact OE2-CG2 3.44Å; E69-T75 PolarHBondContact OE2-OG1 3.43Å; E69-Y79 PolarHBondContact OE1-OH 3.21Å; E69-Y79 PolarHBondContact OE2-OH 2.83Å; E69-W103 HydrophobicContact CB-CH2 3.81Å; E69-W103 HydrophobicContact CB-CZ3 4.27Å; E69-W103 HydrophobicContact CG-CH2 3.55Å; E69-W103 HydrophobicContact CG-CZ3 3.95Å; E69-W103 WeakPolarHBondContact OE1-CH2 3.4Å; E69-W103 VanDerWaalsContact OE1-CZ3 3.24Å; E69-W103 WeakPolarHBondContact OE1-CZ3 3.43Å; E69-W103 VanDerWaalsContact OE2-CZ3 3.31Å; E69-W103 WeakPolarHBondContact OE2-CZ3 3.31Å | ||
| 70 | E | 56.4 | Low | 74.8 | Confident | 138 Ų | 138 | 59 Ų | 59 | 65% | 0.645 | 30% | 0.299 | S | S | * | . | trans | -67.3 | -7.2 | 179.8 | -72.7 | 169.1 | -168.8 | 0 | 0 | 112.3 | Q68 | Q68-E70 PolarHBondContact O-N 2.99Š| ||
| 71 | F | 56.6 | Low | 74.5 | Confident | 134 Ų | 134 | 61.5 Ų | 61.5 | 59% | 0.588 | 33% | 0.325 | S | S | * | . | trans | -136.8 | 99.7 | -177.1 | -59.4 | -77.5 | 0 | 0 | 0 | 112.6 | E69 A73 I74 T75 | E69-F71 PolarHBondContact O-N 3.42Å; F71-A73 PolarHBondContact O-N 2.94Å; F71-I74 HydrophobicContact CB-CB 4.36Å; F71-I74 HydrophobicContact CB-CD1 3.92Å; F71-I74 HydrophobicContact CB-CG1 4.23Å; F71-I74 HydrophobicContact CD2-CD1 4.47Å; F71-I74 HydrophobicContact CG-CD1 4.27Å; F71-I74 PolarHBondContact O-N 3.28Å; F71-T75 WeakPolarHBondContact O-CB 3.37Å; F71-T75 PolarHBondContact O-N 3.47Å; F71-T75 VanDerWaalsContact O-N 3.15Å; F71-T75 PolarHBondContact O-OG1 2.86Å | ||
| 72 | D | 60.7 | Low | 74.5 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 54% | 0.54 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -25.8 | -177.8 | -70.7 | -31.9 | 0 | 0 | 0 | 114.5 | T75 K76 K106 | D72-T75 WeakPolarHBondContact O-CB 3.35Å; D72-K76 WeakPolarHBondContact O-CG 3.44Å; D72-K76 PolarHBondContact O-N 3.3Å; D72-K106 IonicContact OD1-NZ 3.55Å |
| 73 | A | 58.2 | Low | 74.6 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 69% | 0.694 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -75.5 | -40 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | F71 | F71-A73 PolarHBondContact O-N 2.94Å |
| 74 | I | 60 | Low | 74.9 | Confident | 90 Ų | 90 | 59.2 Ų | 59.2 | 46% | 0.462 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 178.3 | -61.4 | 172.3 | 0 | 0 | 0 | 109.1 | F71 K76 A77 Y78 | F71-I74 HydrophobicContact CB-CB 4.36Å; F71-I74 HydrophobicContact CB-CD1 3.92Å; F71-I74 HydrophobicContact CB-CG1 4.23Å; F71-I74 HydrophobicContact CD2-CD1 4.47Å; F71-I74 HydrophobicContact CG-CD1 4.27Å; F71-I74 PolarHBondContact O-N 3.28Å; I74-K76 PolarHBondContact O-N 2.9Å; I74-A77 WeakPolarHBondContact O-CB 3.49Å; I74-A77 PolarHBondContact O-N 2.85Å; I74-Y78 HydrophobicContact CG2-CD2 4.41Å; I74-Y78 HydrophobicContact CG2-CE2 3.35Å; I74-Y78 VanDerWaalsContact CG2-OH 3.3Å; I74-Y78 WeakPolarHBondContact CG2-OH 3.23Å; I74-Y78 VanDerWaalsContact O-CD2 3.24Å; I74-Y78 WeakPolarHBondContact O-CD2 3.37Å; I74-Y78 WeakPolarHBondContact O-CE2 3.3Å |
| 75 | T | 68.8 | Low | 75.5 | Confident | 10 Ų | 10 | 59 Ų | 59 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -43.1 | -63 | 170 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | E69 F71 D72 A77 Y78 Y79 | E69-T75 WeakPolarHBondContact OE2-CG2 3.44Å; E69-T75 PolarHBondContact OE2-OG1 3.43Å; F71-T75 WeakPolarHBondContact O-CB 3.37Å; F71-T75 PolarHBondContact O-N 3.47Å; F71-T75 VanDerWaalsContact O-N 3.15Å; F71-T75 PolarHBondContact O-OG1 2.86Å; D72-T75 WeakPolarHBondContact O-CB 3.35Å; T75-A77 VanDerWaalsContact C-N 3.26Å; T75-A77 PolarHBondContact O-N 2.85Å; T75-A77 VanDerWaalsContact O-N 3.08Å; T75-Y78 WeakPolarHBondContact O-CB 3.29Å; T75-Y78 PolarHBondContact O-N 3.44Å; T75-Y79 HydrophobicContact CG2-CD2 4.09Å; T75-Y79 HydrophobicContact CG2-CE2 3.42Å; T75-Y79 VanDerWaalsContact CG2-CE2 3.42Å; T75-Y79 WeakPolarHBondContact O-CD2 3.13Å; T75-Y79 WeakPolarHBondContact O-CE2 3.34Å |
| 76 | K | 76.6 | Confident | 76.5 | Confident | 113 Ų | 113 | 58.9 Ų | 58.9 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -51.5 | -39.1 | -176.2 | -71.7 | 178.5 | -177.6 | -172.5 | 0 | 114.7 | D72 I74 Y78 Y79 R80 E110 | D72-K76 WeakPolarHBondContact O-CG 3.44Å; D72-K76 PolarHBondContact O-N 3.3Å; I74-K76 PolarHBondContact O-N 2.9Å; K76-Y78 PolarHBondContact O-N 2.76Å; K76-Y79 PolarHBondContact O-N 2.81Å; K76-R80 PolarHBondContact O-N 3.39Å; K76-R80 VanDerWaalsContact O-N 3.08Å; K76-E110 WeakPolarHBondContact CG-OE2 3.3Å |
| 77 | A | 79.8 | Confident | 77.8 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.4 | -30.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I74 T75 | I74-A77 WeakPolarHBondContact O-CB 3.49Å; I74-A77 PolarHBondContact O-N 2.85Å; T75-A77 VanDerWaalsContact C-N 3.26Å; T75-A77 PolarHBondContact O-N 2.85Å; T75-A77 VanDerWaalsContact O-N 3.08Å |
| 78 | Y | 82.1 | Confident | 79.5 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77.4 | -37.4 | 179.6 | -56.5 | -51.3 | 0 | 0 | 0 | 113.1 | K11 V44 W63 I74 T75 K76 | K11-Y78 WeakPolarHBondContact CE-O 3.44Å; K11-Y78 PolarHBondContact NZ-O 2.8Å; V44-Y78 HydrophobicContact CB-CD1 4.11Å; V44-Y78 HydrophobicContact CB-CE1 3.67Å; V44-Y78 HydrophobicContact CG1-CD1 4.09Å; V44-Y78 HydrophobicContact CG1-CE1 4.11Å; V44-Y78 HydrophobicContact CG2-CD1 3.6Å; V44-Y78 HydrophobicContact CG2-CD2 3.69Å; V44-Y78 HydrophobicContact CG2-CE1 3.29Å; V44-Y78 HydrophobicContact CG2-CE2 3.36Å; V44-Y78 HydrophobicContact CG2-CG 3.8Å; W63-Y78 HydrophobicContact CE3-CD1 4.31Å; W63-Y78 HydrophobicContact CZ3-CD1 4.29Å; I74-Y78 HydrophobicContact CG2-CD2 4.41Å; I74-Y78 HydrophobicContact CG2-CE2 3.35Å; I74-Y78 VanDerWaalsContact CG2-OH 3.3Å; I74-Y78 WeakPolarHBondContact CG2-OH 3.23Å; I74-Y78 VanDerWaalsContact O-CD2 3.24Å; I74-Y78 WeakPolarHBondContact O-CD2 3.37Å; I74-Y78 WeakPolarHBondContact O-CE2 3.3Å; T75-Y78 WeakPolarHBondContact O-CB 3.29Å; T75-Y78 PolarHBondContact O-N 3.44Å; K76-Y78 PolarHBondContact O-N 2.76Å |
| 79 | Y | 87 | Confident | 81.3 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.8 | -33.6 | 178 | -60.6 | -105.2 | 0 | 0 | 0 | 110.9 | V13 V15 E69 T75 K76 G81 A82 W103 V107 V111 | V13-Y79 HydrophobicContact CG2-CD1 4.45Å; V15-Y79 HydrophobicContact CG1-CE1 3.69Å; E69-Y79 PolarHBondContact OE1-OH 3.21Å; E69-Y79 PolarHBondContact OE2-OH 2.83Å; T75-Y79 HydrophobicContact CG2-CD2 4.09Å; T75-Y79 HydrophobicContact CG2-CE2 3.42Å; T75-Y79 VanDerWaalsContact CG2-CE2 3.42Å; T75-Y79 WeakPolarHBondContact O-CD2 3.13Å; T75-Y79 WeakPolarHBondContact O-CE2 3.34Å; K76-Y79 PolarHBondContact O-N 2.81Å; Y79-G81 PolarHBondContact O-N 2.92Å; Y79-G81 VanDerWaalsContact O-N 3.14Å; Y79-A82 WeakPolarHBondContact O-CB 3.35Å; Y79-A82 PolarHBondContact O-N 2.8Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.34Å; Y79-V107 HydrophobicContact CD1-CB 4.46Å; Y79-V107 HydrophobicContact CD1-CG2 3.84Å; Y79-V107 HydrophobicContact CE1-CG2 3.61Å; Y79-V111 WeakPolarHBondContact O-CG1 3.5Å |
| 80 | R | 88.4 | Confident | 83 | Confident | 180 Ų | 180 | 51.8 Ų | 51.8 | 68% | 0.679 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 122.2 | -176.5 | -171.6 | 178.5 | -179.8 | 88.1 | 1.3 | 112.3 | K11 K76 A82 | K11-R80 PolarHBondContact NZ-O 2.84Å; K76-R80 PolarHBondContact O-N 3.39Å; K76-R80 VanDerWaalsContact O-N 3.08Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.45Å |
| 81 | G | 92.1 | Very high | 85 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 54% | 0.536 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 10 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y79 Q83 | Y79-G81 PolarHBondContact O-N 2.92Å; Y79-G81 VanDerWaalsContact O-N 3.14Å; G81-Q83 PolarHBondContact O-N 2.92Å |
| 82 | A | 95.7 | Very high | 87 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | trans | -61.3 | 135.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.9 | K11 V13 Y79 R80 V111 I114 | K11-A82 HydrophobicContact CG-CB 4.44Å; V13-A82 HydrophobicContact CB-CB 4.48Å; V13-A82 HydrophobicContact CG1-CB 3.79Å; V13-A82 HydrophobicContact CG2-CB 3.92Å; Y79-A82 WeakPolarHBondContact O-CB 3.35Å; Y79-A82 PolarHBondContact O-N 2.8Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.45Å; A82-V111 HydrophobicContact CB-CG1 4.27Å; A82-I114 HydrophobicContact CB-CD1 4.21Å | ||
| 83 | Q | 97.4 | Very high | 88.8 | Confident | 53 Ų | 53 | 38.3 Ų | 38.3 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | trans | -109 | -12.3 | -179 | -70.9 | 148.3 | -63.4 | 0 | 0 | 111.4 | A9 I10 K11 G81 P115 Y169 | A9-Q83 PolarHBondContact O-NE2 3.21Å; I10-Q83 HydrophobicContact CG2-CB 3.78Å; K11-Q83 PolarHBondContact O-N 2.92Å; G81-Q83 PolarHBondContact O-N 2.92Å; Q83-P115 VanDerWaalsContact O-CD 3.31Å; Q83-P115 WeakPolarHBondContact O-CD 3.39Å; Q83-Y169 HydrophobicContact CB-CD2 4.01Å; Q83-Y169 HydrophobicContact CB-CE2 3.6Å; Q83-Y169 HydrophobicContact CG-CE2 3.87Å; Q83-Y169 PolarHBondContact NE2-OH 3.14Å | ||
| 84 | A | 97.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 157.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | I10 K11 V12 V13 P115 L165 | I10-A84 HydrophobicContact CG2-CB 4.18Å; K11-A84 PolarHBondContact O-N 3.29Å; K11-A84 VanDerWaalsContact O-N 3.16Å; V12-A84 WeakPolarHBondContact CA-O 3.31Å; V12-A84 HydrophobicContact CG1-CB 4.33Å; V12-A84 HydrophobicContact CG2-CB 4.19Å; V13-A84 PolarHBondContact N-O 3.06Å; V13-A84 VanDerWaalsContact N-O 3.07Å; A84-P115 CarbonylContact C-O 3.59Å; A84-P115 VanDerWaalsContact CA-O 3.23Å; A84-P115 WeakPolarHBondContact CA-O 3.05Å; A84-P115 HydrophobicContact CB-CB 4.5Å; A84-L165 HydrophobicContact CB-CB 4.2Å; A84-L165 HydrophobicContact CB-CD1 4.23Å; A84-L165 HydrophobicContact CB-CD2 4.12Å; A84-L165 HydrophobicContact CB-CG 4.42Å |
| 85 | C | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142.6 | -177.3 | -180 | 0 | 0 | 0 | 0 | 112.5 | V13 V107 I114 P115 T116 V117 | V13-C85 HydrophobicContact CG2-CB 3.97Å; V13-C85 CarbonylContact O-C 3.57Å; V13-C85 WeakPolarHBondContact O-CA 3.24Å; C85-V107 HydrophobicContact CB-CG1 4.14Å; C85-I114 HydrophobicContact CB-CD1 3.85Å; C85-I114 HydrophobicContact CB-CG1 4.46Å; C85-P115 PolarHBondContact N-O 3.37Å; C85-T116 HydrophobicContact CB-CG2 3.94Å; C85-T116 VanDerWaalsContact O-CA 3.3Å; C85-T116 WeakPolarHBondContact O-CA 3.48Å; C85-V117 PolarHBondContact O-N 3.4Å |
| 86 | V | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116 | 168.2 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | V12 V13 V14 V15 M25 V88 V117 V119 V161 F162 L165 | V12-V86 HydrophobicContact CG1-CG2 4.13Å; V13-V86 PolarHBondContact O-N 3.1Å; V14-V86 HydrophobicContact CB-CB 4.42Å; V14-V86 HydrophobicContact CG1-CB 4.11Å; V14-V86 HydrophobicContact CG1-CG1 4.3Å; V14-V86 HydrophobicContact CG2-CB 4.17Å; V14-V86 HydrophobicContact CG2-CG2 4.25Å; V15-V86 PolarHBondContact N-O 3.12Å; M25-V86 HydrophobicContact SD-CG1 4.21Å; V86-V88 HydrophobicContact CG1-CG2 3.59Å; V86-V117 HydrophobicContact CB-CG2 4.1Å; V86-V117 HydrophobicContact CG1-CG2 4.02Å; V86-V117 HydrophobicContact CG2-CG2 3.82Å; V86-V119 HydrophobicContact CG1-CB 4.37Å; V86-V119 HydrophobicContact CG1-CG2 3.68Å; V86-V161 HydrophobicContact CG1-CG1 4.14Å; V86-V161 HydrophobicContact CG2-CG1 3.97Å; V86-F162 HydrophobicContact CG2-CE1 4.12Å; V86-L165 HydrophobicContact CG2-CD1 3.51Å |
| 87 | L | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.9 | 171.5 | -71.5 | 164.5 | 0 | 0 | 0 | 109.2 | V15 I100 W103 W104 T116 V117 L118 V119 L145 | V15-L87 HydrophobicContact CG2-CD2 3.57Å; V15-L87 HydrophobicContact CG2-CG 4.43Å; L87-I100 HydrophobicContact CB-CD1 4.39Å; L87-W103 HydrophobicContact CD2-CB 3.71Å; L87-W104 HydrophobicContact CD1-CB 3.99Å; L87-W104 HydrophobicContact CD1-CD2 4.2Å; L87-W104 HydrophobicContact CD1-CE3 3.78Å; L87-W104 HydrophobicContact CD1-CG 4.33Å; L87-W104 HydrophobicContact CD2-CB 4.39Å; L87-T116 HydrophobicContact CD1-CG2 3.74Å; L87-T116 HydrophobicContact CG-CG2 4.03Å; L87-V117 PolarHBondContact N-O 2.86Å; L87-L118 HydrophobicContact CB-CD1 3.99Å; L87-L118 CarbonylContact O-C 3.59Å; L87-V119 PolarHBondContact O-N 2.76Å; L87-L145 HydrophobicContact CD1-CD1 3.58Å |
| 88 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.6 | -174 | -168.8 | 0 | 0 | 0 | 0 | 111.5 | 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 3.12Å; V20-V88 HydrophobicContact CB-CG1 4.21Å; V20-V88 HydrophobicContact CG2-CB 3.94Å; V20-V88 HydrophobicContact CG2-CG1 3.76Å; K22-V88 HydrophobicContact CG-CB 4.24Å; K22-V88 HydrophobicContact CG-CG2 4.29Å; M25-V88 HydrophobicContact SD-CG2 4.48Å; V86-V88 HydrophobicContact CG1-CG2 3.59Å; V88-V119 HydrophobicContact CG1-CG1 4.34Å; V88-V119 HydrophobicContact CG2-CB 4.36Å; V88-N121 HydrophobicContact CG1-CB 3.93Å |
| 89 | F | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 165.1 | 162.4 | 67.9 | -84.9 | 0 | 0 | 0 | 110.3 | S96 F97 I100 L118 V119 Q120 N121 I131 A136 F147 | F89-S96 WeakPolarHBondContact CB-OG 3.15Å; F89-F97 HydrophobicContact CB-CB 4.47Å; F89-F97 HydrophobicContact CD1-CD2 4.4Å; F89-F97 HydrophobicContact CD2-CB 3.91Å; F89-F97 AromaticContact CD2-CD2 3.95Å; F89-F97 HydrophobicContact CD2-CD2 3.95Å; F89-F97 HydrophobicContact CD2-CG 4.41Å; F89-F97 HydrophobicContact CE1-CD2 4.19Å; F89-F97 HydrophobicContact CE2-CB 4.4Å; F89-F97 AromaticContact CE2-CD2 3.72Å; F89-F97 HydrophobicContact CE2-CD2 3.72Å; F89-F97 HydrophobicContact CE2-CG 4.46Å; F89-F97 HydrophobicContact CG-CB 4.29Å; F89-F97 HydrophobicContact CG-CD2 4.27Å; F89-F97 AromaticContact CZ-CD2 3.83Å; F89-F97 HydrophobicContact CZ-CD2 3.83Å; F89-F97 HydrophobicContact CZ-CE2 4.3Å; F89-I100 HydrophobicContact CB-CD1 3.97Å; F89-I100 HydrophobicContact CB-CG1 4.04Å; F89-I100 HydrophobicContact CD1-CD1 4.08Å; F89-I100 HydrophobicContact CD1-CG1 3.9Å; F89-I100 HydrophobicContact CG-CD1 4.5Å; F89-I100 HydrophobicContact CG-CG1 4.29Å; F89-L118 HydrophobicContact CD1-CD1 3.85Å; F89-L118 HydrophobicContact CD1-CG 4.49Å; F89-L118 HydrophobicContact CE1-CD1 3.81Å; F89-L118 HydrophobicContact CE1-CD2 4.24Å; F89-L118 HydrophobicContact CE1-CG 3.96Å; F89-V119 VanDerWaalsContact CD1-O 3.23Å; F89-V119 WeakPolarHBondContact CD1-O 3.47Å; F89-V119 PolarHBondContact N-O 2.72Å; F89-Q120 HydrophobicContact CD2-CB 4.49Å; F89-Q120 HydrophobicContact CD2-CG 4.39Å; F89-Q120 HydrophobicContact CE1-CB 4.03Å; F89-Q120 HydrophobicContact CE2-CB 3.71Å; F89-Q120 HydrophobicContact CE2-CG 3.61Å; F89-Q120 HydrophobicContact CZ-CB 3.45Å; F89-Q120 VanDerWaalsContact CZ-CB 3.45Å; F89-Q120 HydrophobicContact CZ-CG 3.87Å; F89-N121 PolarHBondContact O-N 3.34Å; F89-I131 HydrophobicContact CD2-CD1 3.86Å; F89-I131 HydrophobicContact CE2-CD1 3.92Å; F89-I131 HydrophobicContact CE2-CG2 4.38Å; F89-A136 HydrophobicContact CZ-CB 4.12Å; F89-F147 HydrophobicContact CE1-CE2 4.05Å; F89-F147 HydrophobicContact CZ-CE2 4.04Å; F89-F147 HydrophobicContact CZ-CZ 4.34Å |
| 90 | S | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.3 | 179.9 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | T92 D93 S96 K122 I131 | S90-T92 PolarHBondContact O-N 3.01Å; S90-T92 VanDerWaalsContact O-N 3.11Å; S90-T92 PolarHBondContact OG-OG1 3.05Å; S90-T92 VanDerWaalsContact OG-OG1 3.13Å; S90-D93 PolarHBondContact O-N 2.94Å; S90-S96 PolarHBondContact N-OG 2.92Å; S90-K122 VanDerWaalsContact OG-CD 3.32Å; S90-K122 WeakPolarHBondContact OG-CD 3.17Å; S90-K122 WeakPolarHBondContact OG-CE 3.29Å; S90-I131 WeakPolarHBondContact O-CD1 3.23Å |
| 91 | T | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -24.1 | 179 | -155 | 0 | 0 | 0 | 0 | 113.5 | Q120 N121 K122 L125 T129 V130 | T91-Q120 PolarHBondContact OG1-NE2 3.45Å; T91-N121 PolarHBondContact N-O 2.87Å; T91-K122 HydrophobicContact CG2-CB 4.43Å; T91-K122 WeakPolarHBondContact CG2-O 3.5Å; T91-L125 HydrophobicContact CG2-CB 4.46Å; T91-T129 WeakPolarHBondContact O-CA 3.29Å; T91-T129 PolarHBondContact O-OG1 2.96Å; T91-T129 WeakPolarHBondContact OG1-CB 3.47Å; T91-T129 PolarHBondContact OG1-OG1 2.98Å; T91-V130 PolarHBondContact O-N 3.27Å |
| 92 | T | 97.9 | Very high | 97.1 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 10.6 | -179.2 | 67.6 | 0 | 0 | 0 | 0 | 113.2 | S90 L125 D128 | S90-T92 PolarHBondContact O-N 3.01Å; S90-T92 VanDerWaalsContact O-N 3.11Å; S90-T92 PolarHBondContact OG-OG1 3.05Å; S90-T92 VanDerWaalsContact OG-OG1 3.13Å; T92-L125 HydrophobicContact CG2-CB 3.69Å; T92-L125 HydrophobicContact CG2-CD1 4Å; T92-D128 HydrophobicContact CG2-CB 4Å |
| 93 | D | 97.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 31.3 Ų | 31.3 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | trans | -137.2 | 100.6 | -173.9 | -179.2 | -13.6 | 0 | 0 | 0 | 110.7 | S90 E95 S96 F97 | S90-D93 PolarHBondContact O-N 2.94Å; D93-E95 PolarHBondContact OD1-N 3.34Å; D93-E95 VanDerWaalsContact OD1-N 3.12Å; D93-S96 WeakPolarHBondContact CB-OG 3.41Å; D93-S96 PolarHBondContact O-N 2.78Å; D93-S96 PolarHBondContact O-OG 3.45Å; D93-S96 PolarHBondContact OD1-N 3.33Å; D93-S96 WeakPolarHBondContact OD2-CB 3.15Å; D93-F97 PolarHBondContact O-N 2.93Å | ||
| 94 | R | 97.8 | Very high | 96.8 | Very high | 87 Ų | 87 | 29.9 Ų | 29.9 | 33% | 0.328 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.1 | -40.5 | -178.4 | -177.5 | 64.3 | 179.8 | -156.1 | 9.3 | 112.3 | S96 F97 E98 V130 E135 | R94-S96 VanDerWaalsContact C-N 3.28Å; R94-S96 PolarHBondContact O-N 2.83Å; R94-F97 WeakPolarHBondContact O-CB 3.37Å; R94-F97 PolarHBondContact O-N 2.85Å; R94-F97 VanDerWaalsContact O-N 3.14Å; R94-E98 IonicContact CZ-OE1 3.66Å; R94-E98 IonicContact NE-OE1 2.82Å; R94-E98 PolarHBondContact NE-OE1 3.07Å; R94-E98 IonicContact NH2-OE1 3.63Å; R94-E98 PolarHBondContact O-N 2.83Å; R94-V130 HydrophobicContact CB-CG2 3.91Å; R94-E135 IonicContact CZ-OE1 3.34Å; R94-E135 IonicContact NH1-OE1 2.8Å; R94-E135 PolarHBondContact NH1-OE1 3.39Å; R94-E135 IonicContact NH1-OE2 3.39Å; R94-E135 PolarHBondContact NH1-OE2 2.8Å; R94-E135 VanDerWaalsContact NH1-OE2 3.07Å; R94-E135 IonicContact NH2-OE1 2.84Å; R94-E135 PolarHBondContact NH2-OE1 3.44Å |
| 95 | E | 96.8 | Very high | 96.5 | Very high | 144 Ų | 144 | 35.4 Ų | 35.4 | 67% | 0.673 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -63.5 | -38.2 | -179.6 | -64.1 | -177.7 | 178.9 | 0 | 0 | 110.8 | D93 F97 E98 A99 | D93-E95 PolarHBondContact OD1-N 3.34Å; D93-E95 VanDerWaalsContact OD1-N 3.12Å; E95-F97 VanDerWaalsContact C-N 3.3Å; E95-F97 PolarHBondContact O-N 3.41Å; E95-E98 PolarHBondContact O-N 3.31Å; E95-A99 VanDerWaalsContact O-CB 3.31Å; E95-A99 WeakPolarHBondContact O-CB 3.16Å; E95-A99 PolarHBondContact O-N 3.16Å |
| 96 | S | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -35.2 | 175.5 | 77.1 | 0 | 0 | 0 | 0 | 113.5 | F89 S90 D93 R94 | F89-S96 WeakPolarHBondContact CB-OG 3.15Å; S90-S96 PolarHBondContact N-OG 2.92Å; D93-S96 WeakPolarHBondContact CB-OG 3.41Å; D93-S96 PolarHBondContact O-N 2.78Å; D93-S96 PolarHBondContact O-OG 3.45Å; D93-S96 PolarHBondContact OD1-N 3.33Å; D93-S96 WeakPolarHBondContact OD2-CB 3.15Å; R94-S96 VanDerWaalsContact C-N 3.28Å; R94-S96 PolarHBondContact O-N 2.83Å |
| 97 | F | 98.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 38.6 Ų | 38.6 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.5 | -45.3 | 176.4 | 170.9 | -106.5 | 0 | 0 | 0 | 111.5 | F89 D93 R94 E95 A99 I100 I131 E135 A136 L139 | F89-F97 HydrophobicContact CB-CB 4.47Å; F89-F97 HydrophobicContact CD1-CD2 4.4Å; F89-F97 HydrophobicContact CD2-CB 3.91Å; F89-F97 AromaticContact CD2-CD2 3.95Å; F89-F97 HydrophobicContact CD2-CD2 3.95Å; F89-F97 HydrophobicContact CD2-CG 4.41Å; F89-F97 HydrophobicContact CE1-CD2 4.19Å; F89-F97 HydrophobicContact CE2-CB 4.4Å; F89-F97 AromaticContact CE2-CD2 3.72Å; F89-F97 HydrophobicContact CE2-CD2 3.72Å; F89-F97 HydrophobicContact CE2-CG 4.46Å; F89-F97 HydrophobicContact CG-CB 4.29Å; F89-F97 HydrophobicContact CG-CD2 4.27Å; F89-F97 AromaticContact CZ-CD2 3.83Å; F89-F97 HydrophobicContact CZ-CD2 3.83Å; F89-F97 HydrophobicContact CZ-CE2 4.3Å; D93-F97 PolarHBondContact O-N 2.93Å; R94-F97 WeakPolarHBondContact O-CB 3.37Å; R94-F97 PolarHBondContact O-N 2.85Å; R94-F97 VanDerWaalsContact O-N 3.14Å; E95-F97 VanDerWaalsContact C-N 3.3Å; E95-F97 PolarHBondContact O-N 3.41Å; F97-A99 VanDerWaalsContact C-N 3.27Å; F97-A99 PolarHBondContact O-N 3.04Å; F97-I100 WeakPolarHBondContact O-CB 3.38Å; F97-I100 WeakPolarHBondContact O-CG1 3.19Å; F97-I100 PolarHBondContact O-N 3Å; F97-I131 HydrophobicContact CB-CD1 3.86Å; F97-I131 HydrophobicContact CB-CG1 3.91Å; F97-I131 HydrophobicContact CD1-CG1 4.33Å; F97-I131 HydrophobicContact CD2-CG2 4.23Å; F97-I131 HydrophobicContact CE2-CG2 4.32Å; F97-I131 HydrophobicContact CG-CD1 4.4Å; F97-I131 HydrophobicContact CG-CG1 4.02Å; F97-I131 HydrophobicContact CG-CG2 4.35Å; F97-E135 HydrophobicContact CE1-CB 4.28Å; F97-E135 HydrophobicContact CZ-CB 4.03Å; F97-A136 HydrophobicContact CE2-CB 4.48Å; F97-L139 HydrophobicContact CD2-CD2 3.95Å; F97-L139 HydrophobicContact CE2-CB 4.02Å; F97-L139 HydrophobicContact CE2-CD2 3.38Å; F97-L139 HydrophobicContact CE2-CG 4.35Å; F97-L139 HydrophobicContact CZ-CB 4.13Å; F97-L139 HydrophobicContact CZ-CD2 3.94Å |
| 98 | E | 97.4 | Very high | 95.6 | Very high | 120 Ų | 120 | 43 Ų | 43 | 56% | 0.561 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.6 | -31.5 | 179.5 | -69.3 | 176.8 | 178.7 | 0 | 0 | 112.1 | R94 E95 I100 | R94-E98 IonicContact CZ-OE1 3.66Å; R94-E98 IonicContact NE-OE1 2.82Å; R94-E98 PolarHBondContact NE-OE1 3.07Å; R94-E98 IonicContact NH2-OE1 3.63Å; R94-E98 PolarHBondContact O-N 2.83Å; E95-E98 PolarHBondContact O-N 3.31Å; E98-I100 VanDerWaalsContact C-N 3.29Å; E98-I100 PolarHBondContact O-N 3.13Å |
| 99 | A | 95.7 | Very high | 95.3 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -14 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N17 E95 F97 G101 S102 W103 | N17-A99 VanDerWaalsContact OD1-CB 3.32Å; N17-A99 WeakPolarHBondContact OD1-CB 3.36Å; E95-A99 VanDerWaalsContact O-CB 3.31Å; E95-A99 WeakPolarHBondContact O-CB 3.16Å; E95-A99 PolarHBondContact O-N 3.16Å; F97-A99 VanDerWaalsContact C-N 3.27Å; F97-A99 PolarHBondContact O-N 3.04Å; A99-G101 PolarHBondContact O-N 3.12Å; A99-S102 PolarHBondContact O-N 2.85Å; A99-S102 VanDerWaalsContact O-N 3.08Å; A99-W103 PolarHBondContact O-N 2.81Å |
| 100 | I | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57 | -37.3 | -176.1 | -70.3 | -58.6 | 0 | 0 | 0 | 112.5 | L87 F89 F97 E98 S102 W103 W104 L118 L139 L143 | L87-I100 HydrophobicContact CB-CD1 4.39Å; F89-I100 HydrophobicContact CB-CD1 3.97Å; F89-I100 HydrophobicContact CB-CG1 4.04Å; F89-I100 HydrophobicContact CD1-CD1 4.08Å; F89-I100 HydrophobicContact CD1-CG1 3.9Å; F89-I100 HydrophobicContact CG-CD1 4.5Å; F89-I100 HydrophobicContact CG-CG1 4.29Å; F97-I100 WeakPolarHBondContact O-CB 3.38Å; F97-I100 WeakPolarHBondContact O-CG1 3.19Å; F97-I100 PolarHBondContact O-N 3Å; E98-I100 VanDerWaalsContact C-N 3.29Å; E98-I100 PolarHBondContact O-N 3.13Å; I100-S102 VanDerWaalsContact C-N 3.34Å; I100-S102 PolarHBondContact O-N 2.89Å; I100-W103 PolarHBondContact O-N 2.89Å; I100-W104 WeakPolarHBondContact O-CB 3.33Å; I100-W104 PolarHBondContact O-N 2.89Å; I100-L118 HydrophobicContact CD1-CD1 4.13Å; I100-L118 HydrophobicContact CG1-CD1 4.17Å; I100-L118 HydrophobicContact CG2-CD1 3.74Å; I100-L139 HydrophobicContact CB-CD2 3.98Å; I100-L139 HydrophobicContact CG1-CD2 4.46Å; I100-L139 HydrophobicContact CG2-CD2 3.84Å; I100-L143 HydrophobicContact CG2-CD1 4Å |
| 101 | G | 95.1 | Very high | 94.8 | Very high | 35 Ų | 35 | 52.9 Ų | 52.9 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A99 W104 E105 | A99-G101 PolarHBondContact O-N 3.12Å; G101-W104 PolarHBondContact O-N 3.14Å; G101-E105 PolarHBondContact O-N 3.44Å |
| 102 | S | 92.8 | Very high | 94.6 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 49% | 0.49 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 178 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | A99 I100 W104 K106 | A99-S102 PolarHBondContact O-N 2.85Å; A99-S102 VanDerWaalsContact O-N 3.08Å; I100-S102 VanDerWaalsContact C-N 3.34Å; I100-S102 PolarHBondContact O-N 2.89Å; S102-W104 VanDerWaalsContact C-N 3.35Å; S102-K106 WeakPolarHBondContact O-CG 3.43Å; S102-K106 PolarHBondContact O-N 3.49Å; S102-K106 VanDerWaalsContact O-N 3.14Å |
| 103 | W | 92.8 | Very high | 94.3 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.5 | -75 | 116.7 | 0 | 0 | 0 | 112.1 | V15 N17 E69 Y79 L87 A99 I100 K106 V107 | V15-W103 HydrophobicContact CB-CE3 4.19Å; V15-W103 HydrophobicContact CG2-CB 4.43Å; N17-W103 PolarHBondContact OD1-NE1 2.79Å; E69-W103 HydrophobicContact CB-CH2 3.81Å; E69-W103 HydrophobicContact CB-CZ3 4.27Å; E69-W103 HydrophobicContact CG-CH2 3.55Å; E69-W103 HydrophobicContact CG-CZ3 3.95Å; E69-W103 WeakPolarHBondContact OE1-CH2 3.4Å; E69-W103 VanDerWaalsContact OE1-CZ3 3.24Å; E69-W103 WeakPolarHBondContact OE1-CZ3 3.43Å; E69-W103 VanDerWaalsContact OE2-CZ3 3.31Å; E69-W103 WeakPolarHBondContact OE2-CZ3 3.31Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.34Å; L87-W103 HydrophobicContact CD2-CB 3.71Å; A99-W103 PolarHBondContact O-N 2.81Å; I100-W103 PolarHBondContact O-N 2.89Å; W103-K106 HydrophobicContact CE3-CD 4.28Å; W103-K106 HydrophobicContact CZ3-CD 4.32Å; W103-K106 PolarHBondContact O-N 3.46Å; W103-V107 WeakPolarHBondContact O-CG2 3.36Å; W103-V107 PolarHBondContact O-N 2.79Å |
| 104 | W | 93.9 | Very high | 94.3 | Very high | 24 Ų | 24 | 56.2 Ų | 56.2 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 178.4 | 176.5 | -118 | 0 | 0 | 0 | 112 | L87 I100 G101 S102 K106 V107 E108 T116 L145 | L87-W104 HydrophobicContact CD1-CB 3.99Å; L87-W104 HydrophobicContact CD1-CD2 4.2Å; L87-W104 HydrophobicContact CD1-CE3 3.78Å; L87-W104 HydrophobicContact CD1-CG 4.33Å; L87-W104 HydrophobicContact CD2-CB 4.39Å; I100-W104 WeakPolarHBondContact O-CB 3.33Å; I100-W104 PolarHBondContact O-N 2.89Å; G101-W104 PolarHBondContact O-N 3.14Å; S102-W104 VanDerWaalsContact C-N 3.35Å; W104-K106 VanDerWaalsContact C-N 3.3Å; W104-K106 PolarHBondContact O-N 3.35Å; W104-V107 HydrophobicContact CE3-CB 4.19Å; W104-V107 HydrophobicContact CE3-CG1 4.36Å; W104-V107 HydrophobicContact CZ3-CB 4.35Å; W104-V107 HydrophobicContact CZ3-CG1 4.03Å; W104-V107 WeakPolarHBondContact O-CB 3.47Å; W104-V107 PolarHBondContact O-N 3.26Å; W104-V107 VanDerWaalsContact O-N 3.08Å; W104-E108 HydrophobicContact CD2-CG 3.95Å; W104-E108 VanDerWaalsContact CE2-CG 3.43Å; W104-E108 HydrophobicContact CE3-CG 4.26Å; W104-E108 HydrophobicContact CH2-CG 3.74Å; W104-E108 HydrophobicContact CZ2-CG 3.35Å; W104-E108 VanDerWaalsContact CZ2-OE1 3.27Å; W104-E108 WeakPolarHBondContact CZ2-OE1 3.42Å; W104-E108 HydrophobicContact CZ3-CG 4.16Å; W104-E108 PolarHBondContact NE1-OE2 2.62Å; W104-E108 PolarHBondContact O-N 2.83Å; W104-T116 HydrophobicContact CE3-CG2 3.96Å; W104-T116 HydrophobicContact CH2-CG2 4.39Å; W104-T116 HydrophobicContact CZ3-CG2 3.58Å; W104-T116 VanDerWaalsContact CZ3-OG1 3.3Å; W104-T116 WeakPolarHBondContact CZ3-OG1 3.38Å; W104-L145 HydrophobicContact CH2-CD2 4.39Å; W104-L145 HydrophobicContact CZ2-CD2 4.46Å |
| 105 | E | 92.3 | Very high | 94.3 | Very high | 116 Ų | 116 | 52.5 Ų | 52.5 | 54% | 0.542 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.3 | -42.5 | 176.6 | -179.2 | 176.3 | -162.3 | 0 | 0 | 112.1 | G101 V107 E108 I109 | G101-E105 PolarHBondContact O-N 3.44Å; E105-V107 VanDerWaalsContact C-N 3.32Å; E105-V107 PolarHBondContact O-N 3.11Å; E105-E108 PolarHBondContact O-N 2.91Å; E105-I109 HydrophobicContact CG-CD1 3.71Å; E105-I109 HydrophobicContact CG-CG1 4.37Å; E105-I109 WeakPolarHBondContact O-CB 3.34Å; E105-I109 VanDerWaalsContact O-CG1 3.23Å; E105-I109 WeakPolarHBondContact O-CG1 3.44Å; E105-I109 PolarHBondContact O-N 3.23Å |
| 106 | K | 89.8 | Confident | 94.4 | Very high | 66 Ų | 66 | 46 Ų | 46 | 29% | 0.287 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 175.7 | -73.3 | 177.8 | 177.6 | -166.9 | 0 | 112.5 | D72 S102 W103 W104 E110 | D72-K106 IonicContact OD1-NZ 3.55Å; S102-K106 WeakPolarHBondContact O-CG 3.43Å; S102-K106 PolarHBondContact O-N 3.49Å; S102-K106 VanDerWaalsContact O-N 3.14Å; W103-K106 HydrophobicContact CE3-CD 4.28Å; W103-K106 HydrophobicContact CZ3-CD 4.32Å; W103-K106 PolarHBondContact O-N 3.46Å; W104-K106 VanDerWaalsContact C-N 3.3Å; W104-K106 PolarHBondContact O-N 3.35Å; K106-E110 PolarHBondContact O-N 3.06Å |
| 107 | V | 91.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.9 | -51 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 110 | V15 Y79 C85 W103 W104 E105 I109 E110 V111 I114 | V15-V107 HydrophobicContact CG2-CG2 4.14Å; Y79-V107 HydrophobicContact CD1-CB 4.46Å; Y79-V107 HydrophobicContact CD1-CG2 3.84Å; Y79-V107 HydrophobicContact CE1-CG2 3.61Å; C85-V107 HydrophobicContact CB-CG1 4.14Å; W103-V107 WeakPolarHBondContact O-CG2 3.36Å; W103-V107 PolarHBondContact O-N 2.79Å; W104-V107 HydrophobicContact CE3-CB 4.19Å; W104-V107 HydrophobicContact CE3-CG1 4.36Å; W104-V107 HydrophobicContact CZ3-CB 4.35Å; W104-V107 HydrophobicContact CZ3-CG1 4.03Å; W104-V107 WeakPolarHBondContact O-CB 3.47Å; W104-V107 PolarHBondContact O-N 3.26Å; W104-V107 VanDerWaalsContact O-N 3.08Å; E105-V107 VanDerWaalsContact C-N 3.32Å; E105-V107 PolarHBondContact O-N 3.11Å; V107-I109 VanDerWaalsContact C-N 3.3Å; V107-I109 PolarHBondContact O-N 3.24Å; V107-E110 PolarHBondContact O-N 3.03Å; V107-V111 HydrophobicContact CG1-CG2 3.75Å; V107-V111 WeakPolarHBondContact O-CG2 3.35Å; V107-V111 PolarHBondContact O-N 3.45Å; V107-I114 HydrophobicContact CG1-CD1 4.08Å; V107-I114 HydrophobicContact CG1-CG1 4.29Å |
| 108 | E | 92.5 | Very high | 94.5 | Very high | 92 Ų | 92 | 45 Ų | 45 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.2 | -39.8 | -178.8 | -74 | -165.9 | 117 | 0 | 0 | 112.4 | W104 E105 E110 G112 | W104-E108 HydrophobicContact CD2-CG 3.95Å; W104-E108 VanDerWaalsContact CE2-CG 3.43Å; W104-E108 HydrophobicContact CE3-CG 4.26Å; W104-E108 HydrophobicContact CH2-CG 3.74Å; W104-E108 HydrophobicContact CZ2-CG 3.35Å; W104-E108 VanDerWaalsContact CZ2-OE1 3.27Å; W104-E108 WeakPolarHBondContact CZ2-OE1 3.42Å; W104-E108 HydrophobicContact CZ3-CG 4.16Å; W104-E108 PolarHBondContact NE1-OE2 2.62Å; W104-E108 PolarHBondContact O-N 2.83Å; E105-E108 PolarHBondContact O-N 2.91Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 2.89Å; E108-G112 VanDerWaalsContact O-CA 3.23Å; E108-G112 WeakPolarHBondContact O-CA 3.23Å; E108-G112 PolarHBondContact O-N 2.86Å |
| 109 | I | 91.8 | Very high | 94.5 | Very high | 121 Ų | 121 | 39.3 Ų | 39.3 | 62% | 0.621 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -63.4 | -39.4 | 179 | -73.1 | 169.8 | 0 | 0 | 0 | 112 | E105 V107 | E105-I109 HydrophobicContact CG-CD1 3.71Å; E105-I109 HydrophobicContact CG-CG1 4.37Å; E105-I109 WeakPolarHBondContact O-CB 3.34Å; E105-I109 VanDerWaalsContact O-CG1 3.23Å; E105-I109 WeakPolarHBondContact O-CG1 3.44Å; E105-I109 PolarHBondContact O-N 3.23Å; V107-I109 VanDerWaalsContact C-N 3.3Å; V107-I109 PolarHBondContact O-N 3.24Å |
| 110 | E | 91.8 | Very high | 94.7 | Very high | 54 Ų | 54 | 38.3 Ų | 38.3 | 25% | 0.252 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -91 | -33.7 | -171.7 | -170.1 | 59.8 | -148.6 | 0 | 0 | 113.3 | K76 K106 V107 E108 | K76-E110 WeakPolarHBondContact CG-OE2 3.3Å; K106-E110 PolarHBondContact O-N 3.06Å; V107-E110 PolarHBondContact O-N 3.03Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 2.89Å |
| 111 | V | 94.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 38.5 Ų | 38.5 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -127.1 | -5.4 | -175.3 | -66.8 | 0 | 0 | 0 | 0 | 115.3 | Y79 A82 V107 I114 | Y79-V111 WeakPolarHBondContact O-CG1 3.5Å; A82-V111 HydrophobicContact CB-CG1 4.27Å; V107-V111 HydrophobicContact CG1-CG2 3.75Å; V107-V111 WeakPolarHBondContact O-CG2 3.35Å; V107-V111 PolarHBondContact O-N 3.45Å; V111-I114 HydrophobicContact CB-CG2 4.45Å; V111-I114 HydrophobicContact CG2-CD1 3.56Å; V111-I114 HydrophobicContact CG2-CG1 4.03Å; V111-I114 HydrophobicContact CG2-CG2 4.38Å |
| 112 | G | 93.3 | Very high | 94.9 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | trans | 72 | -155 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | E108 I114 | E108-G112 VanDerWaalsContact O-CA 3.23Å; E108-G112 WeakPolarHBondContact O-CA 3.23Å; E108-G112 PolarHBondContact O-N 2.86Å; G112-I114 PolarHBondContact O-N 3.3Å; G112-I114 VanDerWaalsContact O-N 3.13Å | ||
| 113 | D | 93.4 | Very high | 95.2 | Very high | 115 Ų | 115 | 37.6 Ų | 37.6 | 62% | 0.615 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -74.5 | 101.7 | 179.7 | 174.3 | 16 | 0 | 0 | 0 | 111 | R172 | D113-R172 PolarHBondContact O-NH1 3.4Å; D113-R172 IonicContact OD1-CZ 3.98Å; D113-R172 IonicContact OD1-NH1 3.46Å; D113-R172 PolarHBondContact OD1-NH1 3.4Å; D113-R172 IonicContact OD1-NH2 3.62Å; D113-R172 PolarHBondContact OD1-NH2 2.95Å; D113-R172 IonicContact OD2-CZ 3.77Å; D113-R172 IonicContact OD2-NH1 2.87Å; D113-R172 IonicContact OD2-NH2 3.92Å; D113-R172 PolarHBondContact OD2-NH2 3.41Å |
| 114 | I | 96.5 | Very high | 95.4 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.087 | 20% | 0.201 | C | C | . | . | trans | -117 | 151.9 | 170.6 | 58.2 | 167.1 | 0 | 0 | 0 | 110.6 | A82 C85 V107 V111 G112 T116 | A82-I114 HydrophobicContact CB-CD1 4.21Å; C85-I114 HydrophobicContact CB-CD1 3.85Å; C85-I114 HydrophobicContact CB-CG1 4.46Å; V107-I114 HydrophobicContact CG1-CD1 4.08Å; V107-I114 HydrophobicContact CG1-CG1 4.29Å; V111-I114 HydrophobicContact CB-CG2 4.45Å; V111-I114 HydrophobicContact CG2-CD1 3.56Å; V111-I114 HydrophobicContact CG2-CG1 4.03Å; V111-I114 HydrophobicContact CG2-CG2 4.38Å; G112-I114 PolarHBondContact O-N 3.3Å; G112-I114 VanDerWaalsContact O-N 3.13Å; I114-T116 PolarHBondContact O-N 2.86Å; I114-T116 PolarHBondContact O-OG1 3.05Å | ||
| 115 | P | 97.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | trans | -46.3 | 116.8 | 169.8 | -28.4 | 35.9 | 0 | 0 | 0 | 111.5 | Q83 A84 C85 L165 K168 | Q83-P115 VanDerWaalsContact O-CD 3.31Å; Q83-P115 WeakPolarHBondContact O-CD 3.39Å; A84-P115 CarbonylContact C-O 3.59Å; A84-P115 VanDerWaalsContact CA-O 3.23Å; A84-P115 WeakPolarHBondContact CA-O 3.05Å; A84-P115 HydrophobicContact CB-CB 4.5Å; C85-P115 PolarHBondContact N-O 3.37Å; P115-L165 HydrophobicContact CB-CD2 4.11Å; P115-L165 WeakPolarHBondContact O-CD2 3.5Å; P115-K168 HydrophobicContact CB-CB 3.99Å; P115-K168 HydrophobicContact CG-CB 4.25Å | ||
| 116 | T | 98.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.4 | -175.1 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | C85 L87 W104 I114 L145 | C85-T116 HydrophobicContact CB-CG2 3.94Å; C85-T116 VanDerWaalsContact O-CA 3.3Å; C85-T116 WeakPolarHBondContact O-CA 3.48Å; L87-T116 HydrophobicContact CD1-CG2 3.74Å; L87-T116 HydrophobicContact CG-CG2 4.03Å; W104-T116 HydrophobicContact CE3-CG2 3.96Å; W104-T116 HydrophobicContact CH2-CG2 4.39Å; W104-T116 HydrophobicContact CZ3-CG2 3.58Å; W104-T116 VanDerWaalsContact CZ3-OG1 3.3Å; W104-T116 WeakPolarHBondContact CZ3-OG1 3.38Å; I114-T116 PolarHBondContact O-N 2.86Å; I114-T116 PolarHBondContact O-OG1 3.05Å; T116-L145 HydrophobicContact CG2-CD1 4.08Å; T116-L145 HydrophobicContact CG2-CD2 4.16Å |
| 117 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.6 | 176.3 | -68.1 | 0 | 0 | 0 | 0 | 110.3 | C85 V86 L87 V119 R146 Y148 V161 Y164 L165 | C85-V117 PolarHBondContact O-N 3.4Å; V86-V117 HydrophobicContact CB-CG2 4.1Å; V86-V117 HydrophobicContact CG1-CG2 4.02Å; V86-V117 HydrophobicContact CG2-CG2 3.82Å; L87-V117 PolarHBondContact N-O 2.86Å; V117-V119 HydrophobicContact CG2-CG2 4.43Å; V117-R146 WeakPolarHBondContact CA-O 3.45Å; V117-R146 HydrophobicContact CG1-CB 4.26Å; V117-Y148 HydrophobicContact CG1-CD2 4.46Å; V117-Y148 HydrophobicContact CG1-CE2 4.34Å; V117-V161 HydrophobicContact CG2-CG1 3.78Å; V117-Y164 HydrophobicContact CG1-CD1 3.25Å; V117-Y164 HydrophobicContact CG1-CE1 3.45Å; V117-Y164 VanDerWaalsContact CG1-CE1 3.45Å; V117-Y164 HydrophobicContact CG1-CG 4.39Å; V117-L165 HydrophobicContact CB-CD2 4.46Å; V117-L165 HydrophobicContact CG1-CD2 3.77Å; V117-L165 HydrophobicContact CG1-CG 4.1Å; V117-L165 HydrophobicContact CG2-CD1 3.93Å; V117-L165 HydrophobicContact CG2-CD2 4.08Å; V117-L165 HydrophobicContact CG2-CG 4.06Å |
| 118 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 133.3 | 169.6 | -179.2 | 62.3 | 0 | 0 | 0 | 109.2 | L87 F89 I100 L139 A140 L145 R146 F147 Y148 | L87-L118 HydrophobicContact CB-CD1 3.99Å; L87-L118 CarbonylContact O-C 3.59Å; F89-L118 HydrophobicContact CD1-CD1 3.85Å; F89-L118 HydrophobicContact CD1-CG 4.49Å; F89-L118 HydrophobicContact CE1-CD1 3.81Å; F89-L118 HydrophobicContact CE1-CD2 4.24Å; F89-L118 HydrophobicContact CE1-CG 3.96Å; I100-L118 HydrophobicContact CD1-CD1 4.13Å; I100-L118 HydrophobicContact CG1-CD1 4.17Å; I100-L118 HydrophobicContact CG2-CD1 3.74Å; L118-L139 HydrophobicContact CD2-CD2 4.3Å; L118-L139 HydrophobicContact CD2-CG 4.31Å; L118-A140 HydrophobicContact CD2-CB 4.06Å; L118-L145 HydrophobicContact CB-CB 4.33Å; L118-L145 HydrophobicContact CB-CD1 4.44Å; L118-R146 PolarHBondContact N-O 2.78Å; L118-F147 HydrophobicContact CB-CD2 4.1Å; L118-F147 HydrophobicContact CD2-CD2 3.97Å; L118-F147 HydrophobicContact CD2-CE2 4.37Å; L118-F147 HydrophobicContact CG-CD2 3.83Å; L118-F147 HydrophobicContact CG-CE2 4.24Å; L118-F147 CarbonylContact O-C 3.58Å; L118-F147 WeakPolarHBondContact O-CA 3.23Å; L118-F147 WeakPolarHBondContact O-CD2 3.42Å; L118-Y148 PolarHBondContact O-N 2.96Å |
| 119 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.3 | -177.2 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | M25 V86 L87 V88 F89 V117 N121 Y148 T150 V161 | M25-V119 HydrophobicContact CE-CG1 3.74Å; V86-V119 HydrophobicContact CG1-CB 4.37Å; V86-V119 HydrophobicContact CG1-CG2 3.68Å; L87-V119 PolarHBondContact O-N 2.76Å; V88-V119 HydrophobicContact CG1-CG1 4.34Å; V88-V119 HydrophobicContact CG2-CB 4.36Å; F89-V119 VanDerWaalsContact CD1-O 3.23Å; F89-V119 WeakPolarHBondContact CD1-O 3.47Å; F89-V119 PolarHBondContact N-O 2.72Å; V117-V119 HydrophobicContact CG2-CG2 4.43Å; V119-N121 HydrophobicContact CG1-CB 4.32Å; V119-Y148 WeakPolarHBondContact CA-O 3.13Å; V119-T150 HydrophobicContact CG1-CG2 3.72Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.46Å; V119-V161 HydrophobicContact CG2-CG1 4.2Å; V119-V161 HydrophobicContact CG2-CG2 3.92Å |
| 120 | Q | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 106.6 | 161.6 | 179.2 | 179.4 | 5.5 | 0 | 0 | 108.1 | F89 T91 I123 F147 Y148 R149 T150 | F89-Q120 HydrophobicContact CD2-CB 4.49Å; F89-Q120 HydrophobicContact CD2-CG 4.39Å; F89-Q120 HydrophobicContact CE1-CB 4.03Å; F89-Q120 HydrophobicContact CE2-CB 3.71Å; F89-Q120 HydrophobicContact CE2-CG 3.61Å; F89-Q120 HydrophobicContact CZ-CB 3.45Å; F89-Q120 VanDerWaalsContact CZ-CB 3.45Å; F89-Q120 HydrophobicContact CZ-CG 3.87Å; T91-Q120 PolarHBondContact OG1-NE2 3.45Å; Q120-I123 HydrophobicContact CG-CG2 4.26Å; Q120-F147 HydrophobicContact CB-CE2 3.7Å; Q120-F147 HydrophobicContact CB-CZ 3.69Å; Q120-Y148 PolarHBondContact N-O 2.85Å; Q120-R149 HydrophobicContact CB-CG 4.24Å; Q120-R149 CarbonylContact O-C 3.58Å; Q120-R149 WeakPolarHBondContact O-CA 3.24Å; Q120-R149 VanDerWaalsContact OE1-NE 3.1Å; Q120-T150 PolarHBondContact O-N 2.86Å |
| 121 | N | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 168.2 | 179.9 | -166.4 | 29.2 | 0 | 0 | 0 | 112.4 | V20 V88 F89 T91 V119 T150 V152 | V20-N121 PolarHBondContact O-ND2 2.88Å; V88-N121 HydrophobicContact CG1-CB 3.93Å; F89-N121 PolarHBondContact O-N 3.34Å; T91-N121 PolarHBondContact N-O 2.87Å; V119-N121 HydrophobicContact CG1-CB 4.32Å; N121-T150 CarbonylContact C-O 3.58Å; N121-T150 WeakPolarHBondContact CA-O 3.45Å; N121-T150 PolarHBondContact OD1-O 2.86Å; N121-T150 PolarHBondContact OD1-OG1 2.89Å; N121-V152 WeakPolarHBondContact OD1-CG2 3.16Å; N121-V152 PolarHBondContact OD1-N 3.41Å |
| 122 | K | 97.9 | Very high | 97 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 24% | 0.243 | 26% | 0.257 | C | S | . | . | trans | 65.1 | 35.2 | 178.8 | -46.7 | -168.9 | -164.6 | 169.5 | 0 | 113.8 | A19 S90 T91 D124 L125 T150 | A19-K122 VanDerWaalsContact O-CE 3.27Å; A19-K122 WeakPolarHBondContact O-CE 3.02Å; A19-K122 PolarHBondContact O-NZ 3.22Å; S90-K122 VanDerWaalsContact OG-CD 3.32Å; S90-K122 WeakPolarHBondContact OG-CD 3.17Å; S90-K122 WeakPolarHBondContact OG-CE 3.29Å; T91-K122 HydrophobicContact CG2-CB 4.43Å; T91-K122 WeakPolarHBondContact CG2-O 3.5Å; K122-D124 WeakPolarHBondContact CA-OD1 3.3Å; K122-D124 PolarHBondContact O-N 2.66Å; K122-D124 VanDerWaalsContact O-N 3.11Å; K122-L125 HydrophobicContact CB-CD1 4.38Å; K122-L125 HydrophobicContact CD-CD1 4.47Å; K122-L125 WeakPolarHBondContact O-CB 3.46Å; K122-L125 PolarHBondContact O-N 2.86Å; K122-T150 PolarHBondContact N-O 3.09Å | ||
| 123 | I | 98.1 | Very high | 97.1 | Very high | 30 Ų | 30 | 50.1 Ų | 50.1 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -67.3 | -8.1 | 177.7 | 70.8 | 179.2 | 0 | 0 | 0 | 113.7 | Q120 L125 L126 R149 T150 | Q120-I123 HydrophobicContact CG-CG2 4.26Å; I123-L125 PolarHBondContact O-N 3.23Å; I123-L126 HydrophobicContact CB-CD1 4.11Å; I123-L126 HydrophobicContact CB-CG 4.03Å; I123-L126 WeakPolarHBondContact O-CD1 3.24Å; I123-L126 WeakPolarHBondContact O-CG 3.5Å; I123-L126 PolarHBondContact O-N 2.87Å; I123-R149 HydrophobicContact CD1-CB 3.99Å; I123-R149 HydrophobicContact CG2-CB 3.96Å; I123-R149 HydrophobicContact CG2-CG 4.4Å; I123-T150 WeakPolarHBondContact CG1-O 3.45Å; I123-T150 PolarHBondContact N-O 3.28Å |
| 124 | D | 97.6 | Very high | 97.3 | Very high | 53 Ų | 53 | 51.3 Ų | 51.3 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -64.3 | -12.3 | 164.2 | 54.2 | -72.9 | 0 | 0 | 0 | 113.1 | K122 S151 K153 E154 | K122-D124 WeakPolarHBondContact CA-OD1 3.3Å; K122-D124 PolarHBondContact O-N 2.66Å; K122-D124 VanDerWaalsContact O-N 3.11Å; D124-S151 VanDerWaalsContact CG-OG 3.28Å; D124-S151 WeakPolarHBondContact OD1-CB 3.49Å; D124-S151 PolarHBondContact OD1-OG 2.79Å; D124-K153 WeakPolarHBondContact OD2-CD 3.37Å; D124-K153 IonicContact OD2-NZ 3.94Å; D124-E154 HydrophobicContact CB-CG 3.98Å |
| 125 | L | 96.6 | Very high | 97.3 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -113.9 | 34.7 | 176.3 | -53.9 | 177.2 | 0 | 0 | 0 | 111.6 | T91 T92 K122 I123 D127 D128 | T91-L125 HydrophobicContact CG2-CB 4.46Å; T92-L125 HydrophobicContact CG2-CB 3.69Å; T92-L125 HydrophobicContact CG2-CD1 4Å; K122-L125 HydrophobicContact CB-CD1 4.38Å; K122-L125 HydrophobicContact CD-CD1 4.47Å; K122-L125 WeakPolarHBondContact O-CB 3.46Å; K122-L125 PolarHBondContact O-N 2.86Å; I123-L125 PolarHBondContact O-N 3.23Å; L125-D127 PolarHBondContact O-N 3.37Å; L125-D128 PolarHBondContact O-N 3.44Å |
| 126 | L | 93 | Very high | 97.3 | Very high | 75 Ų | 75 | 53 Ų | 53 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -61.3 | -26.7 | -179.9 | -85.8 | 168.7 | 0 | 0 | 0 | 113.3 | I123 D128 T129 | I123-L126 HydrophobicContact CB-CD1 4.11Å; I123-L126 HydrophobicContact CB-CG 4.03Å; I123-L126 WeakPolarHBondContact O-CD1 3.24Å; I123-L126 WeakPolarHBondContact O-CG 3.5Å; I123-L126 PolarHBondContact O-N 2.87Å; L126-D128 PolarHBondContact O-N 3.38Å; L126-T129 WeakPolarHBondContact O-CB 3.46Å; L126-T129 WeakPolarHBondContact O-CG2 3.13Å; L126-T129 PolarHBondContact O-N 3.16Å; L126-T129 VanDerWaalsContact O-N 3.12Å |
| 127 | D | 95.9 | Very high | 97.3 | Very high | 169 Ų | 169 | 56.2 Ų | 56.2 | 90% | 0.904 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -64.6 | -27.6 | 175 | -65.4 | -25.5 | 0 | 0 | 0 | 112.3 | L125 | L125-D127 PolarHBondContact O-N 3.37Š|
| 128 | D | 96.2 | Very high | 97.3 | Very high | 106 Ų | 106 | 57.9 Ų | 57.9 | 57% | 0.567 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -97 | 15.8 | 176.7 | -60.9 | -46.3 | 0 | 0 | 0 | 112.2 | T92 L125 L126 V130 | T92-D128 HydrophobicContact CG2-CB 4Å; L125-D128 PolarHBondContact O-N 3.44Å; L126-D128 PolarHBondContact O-N 3.38Å; D128-V130 PolarHBondContact O-N 2.91Å |
| 129 | T | 97.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | trans | -66.3 | 134.1 | -175.2 | -168.2 | 0 | 0 | 0 | 0 | 112.1 | T91 L126 I131 | T91-T129 WeakPolarHBondContact O-CA 3.29Å; T91-T129 PolarHBondContact O-OG1 2.96Å; T91-T129 WeakPolarHBondContact OG1-CB 3.47Å; T91-T129 PolarHBondContact OG1-OG1 2.98Å; L126-T129 WeakPolarHBondContact O-CB 3.46Å; L126-T129 WeakPolarHBondContact O-CG2 3.13Å; L126-T129 PolarHBondContact O-N 3.16Å; L126-T129 VanDerWaalsContact O-N 3.12Å; T129-I131 PolarHBondContact OG1-N 3.16Å; T129-I131 PolarHBondContact OG1-O 3.42Å; T129-I131 VanDerWaalsContact OG1-O 3.09Å | ||
| 130 | V | 97.7 | Very high | 97.2 | Very high | 73 Ų | 73 | 59.6 Ų | 59.6 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | trans | -108.6 | 7.5 | 174 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | T91 R94 D128 | T91-V130 PolarHBondContact O-N 3.27Å; R94-V130 HydrophobicContact CB-CG2 3.91Å; D128-V130 PolarHBondContact O-N 2.91Å | ||
| 131 | I | 97.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -122.2 | 126.5 | -179.4 | -64.3 | 132.3 | 0 | 0 | 0 | 108.7 | F89 S90 F97 T129 A136 | F89-I131 HydrophobicContact CD2-CD1 3.86Å; F89-I131 HydrophobicContact CE2-CD1 3.92Å; F89-I131 HydrophobicContact CE2-CG2 4.38Å; S90-I131 WeakPolarHBondContact O-CD1 3.23Å; F97-I131 HydrophobicContact CB-CD1 3.86Å; F97-I131 HydrophobicContact CB-CG1 3.91Å; F97-I131 HydrophobicContact CD1-CG1 4.33Å; F97-I131 HydrophobicContact CD2-CG2 4.23Å; F97-I131 HydrophobicContact CE2-CG2 4.32Å; F97-I131 HydrophobicContact CG-CD1 4.4Å; F97-I131 HydrophobicContact CG-CG1 4.02Å; F97-I131 HydrophobicContact CG-CG2 4.35Å; T129-I131 PolarHBondContact OG1-N 3.16Å; T129-I131 PolarHBondContact OG1-O 3.42Å; T129-I131 VanDerWaalsContact OG1-O 3.09Å; I131-A136 HydrophobicContact CG2-CB 4.06Å |
| 132 | K | 96.8 | Very high | 97.1 | Very high | 141 Ų | 141 | 74.8 Ų | 74.8 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | trans | -74.7 | 149.1 | 175.2 | -60 | 178 | -178 | 179.4 | 0 | 110.6 | E134 E135 A136 | K132-E134 VanDerWaalsContact C-N 3.27Å; K132-E134 PolarHBondContact O-N 2.98Å; K132-E135 HydrophobicContact CB-CB 4.43Å; K132-E135 HydrophobicContact CB-CG 4.06Å; K132-E135 VanDerWaalsContact CB-OE2 3.31Å; K132-E135 WeakPolarHBondContact CB-OE2 3.45Å; K132-E135 WeakPolarHBondContact CG-OE2 3.48Å; K132-E135 PolarHBondContact N-OE2 3.21Å; K132-E135 VanDerWaalsContact N-OE2 3.14Å; K132-E135 WeakPolarHBondContact O-CB 3.32Å; K132-E135 PolarHBondContact O-N 3.2Å; K132-E135 VanDerWaalsContact O-N 3.16Å; K132-A136 PolarHBondContact O-N 3.44Å | ||
| 133 | N | 95.1 | Very high | 97 | Very high | 77 Ų | 77 | 73.7 Ų | 73.7 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | -179.6 | -76.6 | -35.4 | 0 | 0 | 0 | 112.3 | E135 A136 E137 R149 | N133-E135 VanDerWaalsContact C-N 3.31Å; N133-E135 PolarHBondContact O-N 3.08Å; N133-A136 PolarHBondContact O-N 3.47Å; N133-E137 WeakPolarHBondContact O-CB 3.46Å; N133-E137 WeakPolarHBondContact O-CG 3.36Å; N133-E137 PolarHBondContact O-N 3.27Å; N133-R149 PolarHBondContact OD1-NH2 3.31Å |
| 134 | E | 97.6 | Very high | 97 | Very high | 141 Ų | 141 | 81.5 Ų | 81.5 | 66% | 0.659 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.5 | -33.2 | -179.5 | -57.1 | 74 | -158.6 | 0 | 0 | 111.7 | K132 G138 | K132-E134 VanDerWaalsContact C-N 3.27Å; K132-E134 PolarHBondContact O-N 2.98Å; E134-G138 WeakPolarHBondContact O-CA 3.27Å; E134-G138 PolarHBondContact O-N 3.14Å |
| 135 | E | 97.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 80.2 Ų | 80.2 | 29% | 0.285 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.6 | -48.6 | 176.9 | -69.1 | 178.7 | 104.2 | 0 | 0 | 110.9 | R94 F97 K132 N133 G138 L139 | R94-E135 IonicContact CZ-OE1 3.34Å; R94-E135 IonicContact NH1-OE1 2.8Å; R94-E135 PolarHBondContact NH1-OE1 3.39Å; R94-E135 IonicContact NH1-OE2 3.39Å; R94-E135 PolarHBondContact NH1-OE2 2.8Å; R94-E135 VanDerWaalsContact NH1-OE2 3.07Å; R94-E135 IonicContact NH2-OE1 2.84Å; R94-E135 PolarHBondContact NH2-OE1 3.44Å; F97-E135 HydrophobicContact CE1-CB 4.28Å; F97-E135 HydrophobicContact CZ-CB 4.03Å; K132-E135 HydrophobicContact CB-CB 4.43Å; K132-E135 HydrophobicContact CB-CG 4.06Å; K132-E135 VanDerWaalsContact CB-OE2 3.31Å; K132-E135 WeakPolarHBondContact CB-OE2 3.45Å; K132-E135 WeakPolarHBondContact CG-OE2 3.48Å; K132-E135 PolarHBondContact N-OE2 3.21Å; K132-E135 VanDerWaalsContact N-OE2 3.14Å; K132-E135 WeakPolarHBondContact O-CB 3.32Å; K132-E135 PolarHBondContact O-N 3.2Å; K132-E135 VanDerWaalsContact O-N 3.16Å; N133-E135 VanDerWaalsContact C-N 3.31Å; N133-E135 PolarHBondContact O-N 3.08Å; E135-G138 PolarHBondContact O-N 3.07Å; E135-L139 PolarHBondContact O-N 2.99Å |
| 136 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | F89 F97 I131 K132 N133 L139 A140 F147 | F89-A136 HydrophobicContact CZ-CB 4.12Å; F97-A136 HydrophobicContact CE2-CB 4.48Å; I131-A136 HydrophobicContact CG2-CB 4.06Å; K132-A136 PolarHBondContact O-N 3.44Å; N133-A136 PolarHBondContact O-N 3.47Å; A136-L139 PolarHBondContact O-N 3.04Å; A136-A140 PolarHBondContact O-N 3.25Å; A136-A140 VanDerWaalsContact O-N 3.07Å; A136-F147 HydrophobicContact CB-CE1 4.2Å; A136-F147 HydrophobicContact CB-CZ 3.81Å |
| 137 | E | 97.9 | Very high | 97.3 | Very high | 75 Ų | 75 | 81.5 Ų | 81.5 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.9 | -36.7 | 177.1 | -71.3 | 178.6 | -162.3 | 0 | 0 | 112.5 | N133 A140 K141 F147 R149 | N133-E137 WeakPolarHBondContact O-CB 3.46Å; N133-E137 WeakPolarHBondContact O-CG 3.36Å; N133-E137 PolarHBondContact O-N 3.27Å; E137-A140 PolarHBondContact O-N 3.38Å; E137-K141 WeakPolarHBondContact O-CB 3.47Å; E137-K141 VanDerWaalsContact O-CG 3.29Å; E137-K141 WeakPolarHBondContact O-CG 3.27Å; E137-K141 PolarHBondContact O-N 3.43Å; E137-F147 HydrophobicContact CG-CD1 4.42Å; E137-F147 HydrophobicContact CG-CE1 4.31Å; E137-R149 IonicContact OE1-CZ 3.07Å; E137-R149 IonicContact OE1-NH1 3.71Å; E137-R149 PolarHBondContact OE1-NH1 2.79Å; E137-R149 VanDerWaalsContact OE1-NH1 3.14Å; E137-R149 IonicContact OE1-NH2 2.95Å; E137-R149 PolarHBondContact OE1-NH2 3.39Å |
| 138 | G | 98.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 74.9 Ų | 74.9 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E134 E135 K141 K142 | E134-G138 WeakPolarHBondContact O-CA 3.27Å; E134-G138 PolarHBondContact O-N 3.14Å; E135-G138 PolarHBondContact O-N 3.07Å; G138-K141 PolarHBondContact O-N 2.91Å; G138-K142 WeakPolarHBondContact O-CB 3.47Å; G138-K142 PolarHBondContact O-N 2.9Å |
| 139 | L | 98.1 | Very high | 97.5 | Very high | 30 Ų | 30 | 73 Ų | 73 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.1 | -177.3 | 62.4 | 0 | 0 | 0 | 111.6 | F97 I100 L118 E135 A136 K141 K142 L143 | F97-L139 HydrophobicContact CD2-CD2 3.95Å; F97-L139 HydrophobicContact CE2-CB 4.02Å; F97-L139 HydrophobicContact CE2-CD2 3.38Å; F97-L139 HydrophobicContact CE2-CG 4.35Å; F97-L139 HydrophobicContact CZ-CB 4.13Å; F97-L139 HydrophobicContact CZ-CD2 3.94Å; I100-L139 HydrophobicContact CB-CD2 3.98Å; I100-L139 HydrophobicContact CG1-CD2 4.46Å; I100-L139 HydrophobicContact CG2-CD2 3.84Å; L118-L139 HydrophobicContact CD2-CD2 4.3Å; L118-L139 HydrophobicContact CD2-CG 4.31Å; E135-L139 PolarHBondContact O-N 2.99Å; A136-L139 PolarHBondContact O-N 3.04Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 3.2Å; L139-K142 WeakPolarHBondContact O-CB 3.21Å; L139-K142 PolarHBondContact O-N 2.92Å; L139-L143 HydrophobicContact CD1-CD1 3.97Å; L139-L143 HydrophobicContact CD1-CG 4.11Å; L139-L143 HydrophobicContact CG-CD1 4.13Å; L139-L143 WeakPolarHBondContact O-CG 3.25Å; L139-L143 PolarHBondContact O-N 3.41Å |
| 140 | A | 97.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L118 A136 E137 L143 K144 L145 F147 | L118-A140 HydrophobicContact CD2-CB 4.06Å; A136-A140 PolarHBondContact O-N 3.25Å; A136-A140 VanDerWaalsContact O-N 3.07Å; E137-A140 PolarHBondContact O-N 3.38Å; A140-L143 PolarHBondContact O-N 2.82Å; A140-K144 WeakPolarHBondContact O-CA 3.43Å; A140-K144 PolarHBondContact O-N 2.96Å; A140-L145 PolarHBondContact O-N 2.92Å; A140-F147 HydrophobicContact CB-CB 3.62Å; A140-F147 HydrophobicContact CB-CG 4.01Å |
| 141 | K | 98 | Very high | 97.6 | Very high | 153 Ų | 153 | 66.9 Ų | 66.9 | 67% | 0.665 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 176.7 | -73.8 | 170.4 | -176.5 | 168.2 | 0 | 111.8 | E137 G138 L139 L143 K144 | E137-K141 WeakPolarHBondContact O-CB 3.47Å; E137-K141 VanDerWaalsContact O-CG 3.29Å; E137-K141 WeakPolarHBondContact O-CG 3.27Å; E137-K141 PolarHBondContact O-N 3.43Å; G138-K141 PolarHBondContact O-N 2.91Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 3.2Å; K141-L143 VanDerWaalsContact C-N 3.35Å; K141-L143 PolarHBondContact O-N 3.16Å; K141-K144 PolarHBondContact O-N 3.49Å; K141-K144 VanDerWaalsContact O-N 3.16Å |
| 142 | K | 97.3 | Very high | 97.7 | Very high | 168 Ų | 168 | 66.9 Ų | 66.9 | 73% | 0.73 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.8 | -45 | 177.8 | -179.6 | -176.4 | 175.3 | -174 | 0 | 111.5 | G138 L139 K144 | G138-K142 WeakPolarHBondContact O-CB 3.47Å; G138-K142 PolarHBondContact O-N 2.9Å; L139-K142 WeakPolarHBondContact O-CB 3.21Å; L139-K142 PolarHBondContact O-N 2.92Å; K142-K144 VanDerWaalsContact C-N 3.29Å |
| 143 | L | 96 | Very high | 97.7 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -81.3 | -7.8 | 179 | -58.6 | -178.7 | 0 | 0 | 0 | 113.2 | I100 L139 A140 K141 L145 | I100-L143 HydrophobicContact CG2-CD1 4Å; L139-L143 HydrophobicContact CD1-CD1 3.97Å; L139-L143 HydrophobicContact CD1-CG 4.11Å; L139-L143 HydrophobicContact CG-CD1 4.13Å; L139-L143 WeakPolarHBondContact O-CG 3.25Å; L139-L143 PolarHBondContact O-N 3.41Å; A140-L143 PolarHBondContact O-N 2.82Å; K141-L143 VanDerWaalsContact C-N 3.35Å; K141-L143 PolarHBondContact O-N 3.16Å; L143-L145 HydrophobicContact CB-CB 4.47Å; L143-L145 HydrophobicContact CB-CD1 3.84Å; L143-L145 HydrophobicContact CB-CG 3.75Å; L143-L145 HydrophobicContact CD1-CD1 4.07Å; L143-L145 PolarHBondContact O-N 3.46Å |
| 144 | K | 96.8 | Very high | 97.8 | Very high | 194 Ų | 194 | 64.7 Ų | 64.7 | 84% | 0.843 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 34.7 | -174.8 | -55.5 | 176 | -177.7 | 172.7 | 0 | 113 | A140 K141 K142 | A140-K144 WeakPolarHBondContact O-CA 3.43Å; A140-K144 PolarHBondContact O-N 2.96Å; K141-K144 PolarHBondContact O-N 3.49Å; K141-K144 VanDerWaalsContact O-N 3.16Å; K142-K144 VanDerWaalsContact C-N 3.29Å |
| 145 | L | 97.2 | Very high | 97.8 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | trans | -99.6 | 148.4 | -178.7 | -61.8 | -179.7 | 0 | 0 | 0 | 111.3 | L87 W104 T116 L118 A140 L143 F147 | L87-L145 HydrophobicContact CD1-CD1 3.58Å; W104-L145 HydrophobicContact CH2-CD2 4.39Å; W104-L145 HydrophobicContact CZ2-CD2 4.46Å; T116-L145 HydrophobicContact CG2-CD1 4.08Å; T116-L145 HydrophobicContact CG2-CD2 4.16Å; L118-L145 HydrophobicContact CB-CB 4.33Å; L118-L145 HydrophobicContact CB-CD1 4.44Å; A140-L145 PolarHBondContact O-N 2.92Å; L143-L145 HydrophobicContact CB-CB 4.47Å; L143-L145 HydrophobicContact CB-CD1 3.84Å; L143-L145 HydrophobicContact CB-CG 3.75Å; L143-L145 HydrophobicContact CD1-CD1 4.07Å; L143-L145 PolarHBondContact O-N 3.46Å; L145-F147 PolarHBondContact O-N 3.03Å | ||
| 146 | R | 98.2 | Very high | 97.9 | Very high | 129 Ų | 129 | 62.2 Ų | 62.2 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 131.2 | 167.5 | 179.1 | 66.5 | 176.3 | -176.2 | -0.3 | 108.5 | V117 L118 Y148 Y164 | V117-R146 WeakPolarHBondContact CA-O 3.45Å; V117-R146 HydrophobicContact CG1-CB 4.26Å; L118-R146 PolarHBondContact N-O 2.78Å; R146-Y148 HydrophobicContact CG-CD2 4.09Å; R146-Y148 HydrophobicContact CG-CE2 3.46Å; R146-Y148 VanDerWaalsContact CG-CE2 3.46Å; R146-Y148 PolarHBondContact NE-OH 3.13Å; R146-Y164 HydrophobicContact CB-CD1 4.43Å; R146-Y164 HydrophobicContact CB-CE1 3.64Å; R146-Y164 HydrophobicContact CB-CE2 4.19Å; R146-Y164 WeakPolarHBondContact CB-OH 3.39Å; R146-Y164 HydrophobicContact CG-CD1 4.29Å; R146-Y164 HydrophobicContact CG-CD2 4.28Å; R146-Y164 HydrophobicContact CG-CE1 3.93Å; R146-Y164 HydrophobicContact CG-CE2 3.91Å; R146-Y164 HydrophobicContact CG-CG 4.45Å |
| 147 | F | 98.7 | Very high | 97.9 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.8 | -176.5 | 179.7 | -129.8 | 0 | 0 | 0 | 111.6 | F89 L118 Q120 A136 E137 A140 L145 R149 | F89-F147 HydrophobicContact CE1-CE2 4.05Å; F89-F147 HydrophobicContact CZ-CE2 4.04Å; F89-F147 HydrophobicContact CZ-CZ 4.34Å; L118-F147 HydrophobicContact CB-CD2 4.1Å; L118-F147 HydrophobicContact CD2-CD2 3.97Å; L118-F147 HydrophobicContact CD2-CE2 4.37Å; L118-F147 HydrophobicContact CG-CD2 3.83Å; L118-F147 HydrophobicContact CG-CE2 4.24Å; L118-F147 CarbonylContact O-C 3.58Å; L118-F147 WeakPolarHBondContact O-CA 3.23Å; L118-F147 WeakPolarHBondContact O-CD2 3.42Å; Q120-F147 HydrophobicContact CB-CE2 3.7Å; Q120-F147 HydrophobicContact CB-CZ 3.69Å; A136-F147 HydrophobicContact CB-CE1 4.2Å; A136-F147 HydrophobicContact CB-CZ 3.81Å; E137-F147 HydrophobicContact CG-CD1 4.42Å; E137-F147 HydrophobicContact CG-CE1 4.31Å; A140-F147 HydrophobicContact CB-CB 3.62Å; A140-F147 HydrophobicContact CB-CG 4.01Å; L145-F147 PolarHBondContact O-N 3.03Å; F147-R149 HydrophobicContact CE1-CG 4.06Å; F147-R149 HydrophobicContact CZ-CG 3.97Å |
| 148 | Y | 98.8 | Very high | 97.9 | Very high | 30 Ų | 30 | 61.7 Ų | 61.7 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140.3 | 173.2 | -73.1 | -80.8 | 0 | 0 | 0 | 111 | V117 L118 V119 Q120 R146 E160 V161 Y164 | V117-Y148 HydrophobicContact CG1-CD2 4.46Å; V117-Y148 HydrophobicContact CG1-CE2 4.34Å; L118-Y148 PolarHBondContact O-N 2.96Å; V119-Y148 WeakPolarHBondContact CA-O 3.13Å; Q120-Y148 PolarHBondContact N-O 2.85Å; R146-Y148 HydrophobicContact CG-CD2 4.09Å; R146-Y148 HydrophobicContact CG-CE2 3.46Å; R146-Y148 VanDerWaalsContact CG-CE2 3.46Å; R146-Y148 PolarHBondContact NE-OH 3.13Å; Y148-E160 HydrophobicContact CE1-CB 4.14Å; Y148-V161 HydrophobicContact CD2-CG2 3.8Å; Y148-V161 HydrophobicContact CG-CG2 3.79Å; Y148-Y164 HydrophobicContact CE2-CD1 4.45Å; Y148-Y164 HydrophobicContact CE2-CG 4.24Å |
| 149 | R | 98.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 25% | 0.249 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.5 | 166.6 | -76.3 | -175.5 | 177 | 107.3 | -8.3 | 107.2 | Q120 I123 N133 E137 F147 N157 | Q120-R149 HydrophobicContact CB-CG 4.24Å; Q120-R149 CarbonylContact O-C 3.58Å; Q120-R149 WeakPolarHBondContact O-CA 3.24Å; Q120-R149 VanDerWaalsContact OE1-NE 3.1Å; I123-R149 HydrophobicContact CD1-CB 3.99Å; I123-R149 HydrophobicContact CG2-CB 3.96Å; I123-R149 HydrophobicContact CG2-CG 4.4Å; N133-R149 PolarHBondContact OD1-NH2 3.31Å; E137-R149 IonicContact OE1-CZ 3.07Å; E137-R149 IonicContact OE1-NH1 3.71Å; E137-R149 PolarHBondContact OE1-NH1 2.79Å; E137-R149 VanDerWaalsContact OE1-NH1 3.14Å; E137-R149 IonicContact OE1-NH2 2.95Å; E137-R149 PolarHBondContact OE1-NH2 3.39Å; F147-R149 HydrophobicContact CE1-CG 4.06Å; F147-R149 HydrophobicContact CZ-CG 3.97Å; R149-N157 WeakPolarHBondContact O-CB 3.37Å; R149-N157 PolarHBondContact O-ND2 3.25Å |
| 150 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -122.7 | 148.6 | -174.4 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | M25 V119 Q120 N121 K122 I123 L156 N157 V161 | M25-T150 HydrophobicContact CE-CG2 4.3Å; V119-T150 HydrophobicContact CG1-CG2 3.72Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.46Å; Q120-T150 PolarHBondContact O-N 2.86Å; N121-T150 CarbonylContact C-O 3.58Å; N121-T150 WeakPolarHBondContact CA-O 3.45Å; N121-T150 PolarHBondContact OD1-O 2.86Å; N121-T150 PolarHBondContact OD1-OG1 2.89Å; K122-T150 PolarHBondContact N-O 3.09Å; I123-T150 WeakPolarHBondContact CG1-O 3.45Å; I123-T150 PolarHBondContact N-O 3.28Å; T150-L156 VanDerWaalsContact CA-O 3.31Å; T150-L156 WeakPolarHBondContact CA-O 3.07Å; T150-L156 WeakPolarHBondContact CB-O 3.42Å; T150-N157 HydrophobicContact CG2-CB 3.92Å; T150-V161 HydrophobicContact CG2-CG2 3.9Å | ||
| 151 | S | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -121.3 | 107.3 | 158.7 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | D124 K153 E154 D155 L156 | D124-S151 VanDerWaalsContact CG-OG 3.28Å; D124-S151 WeakPolarHBondContact OD1-CB 3.49Å; D124-S151 PolarHBondContact OD1-OG 2.79Å; S151-K153 PolarHBondContact O-N 2.9Å; S151-K153 PolarHBondContact OG-N 3.39Å; S151-E154 PolarHBondContact O-N 3.41Å; S151-E154 PolarHBondContact OG-N 2.94Å; S151-D155 CarbonylContact O-C 3.43Å; S151-D155 WeakPolarHBondContact O-CA 3.31Å; S151-D155 PolarHBondContact O-N 3.08Å; S151-L156 PolarHBondContact N-O 3.2Å; S151-L156 VanDerWaalsContact N-O 3.1Å; S151-L156 PolarHBondContact O-N 3.23Å |
| 152 | V | 97.8 | Very high | 98 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -28.4 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | S24 M25 R28 F34 N121 V158 | S24-V152 VanDerWaalsContact C-CG1 3.41Å; S24-V152 VanDerWaalsContact O-CG1 3.29Å; S24-V152 WeakPolarHBondContact O-CG1 3.43Å; M25-V152 HydrophobicContact CB-CG2 3.7Å; M25-V152 HydrophobicContact CE-CG2 3.89Å; M25-V152 HydrophobicContact CG-CG2 4.19Å; R28-V152 HydrophobicContact CB-CG1 3.85Å; R28-V152 HydrophobicContact CG-CG1 4.38Å; R28-V152 PolarHBondContact NE-O 3.24Å; R28-V152 PolarHBondContact NH2-O 3.33Å; F34-V152 HydrophobicContact CD2-CG1 3.95Å; F34-V152 HydrophobicContact CE2-CG1 4.39Å; N121-V152 WeakPolarHBondContact OD1-CG2 3.16Å; N121-V152 PolarHBondContact OD1-N 3.41Å; V152-V158 HydrophobicContact CG2-CG2 4.18Å |
| 153 | K | 97.2 | Very high | 98 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 32% | 0.317 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -44 | 177.1 | 179.3 | -168.4 | 170.4 | -127.4 | 0 | 111.6 | R28 F34 D124 S151 | R28-K153 PolarHBondContact NH2-O 2.94Å; F34-K153 HydrophobicContact CD1-CB 4.44Å; F34-K153 HydrophobicContact CD1-CG 4.21Å; F34-K153 HydrophobicContact CE1-CB 3.96Å; F34-K153 HydrophobicContact CE1-CG 3.67Å; F34-K153 HydrophobicContact CE2-CB 4.14Å; F34-K153 HydrophobicContact CZ-CB 3.79Å; F34-K153 HydrophobicContact CZ-CG 3.97Å; D124-K153 WeakPolarHBondContact OD2-CD 3.37Å; D124-K153 IonicContact OD2-NZ 3.94Å; S151-K153 PolarHBondContact O-N 2.9Å; S151-K153 PolarHBondContact OG-N 3.39Å |
| 154 | E | 97.6 | Very high | 98.1 | Very high | 100 Ų | 100 | 56.9 Ų | 56.9 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 6 | -179.3 | -52.7 | -56.8 | 150.3 | 0 | 0 | 112.9 | D124 S151 L156 | D124-E154 HydrophobicContact CB-CG 3.98Å; S151-E154 PolarHBondContact O-N 3.41Å; S151-E154 PolarHBondContact OG-N 2.94Å; E154-L156 HydrophobicContact CB-CD1 3.96Å; E154-L156 HydrophobicContact CB-CG 3.94Å; E154-L156 PolarHBondContact O-N 3.34Å |
| 155 | D | 97.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 33% | 0.326 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.6 | -175.7 | -159.3 | 31.4 | 0 | 0 | 0 | 114.3 | R28 S151 | R28-D155 WeakPolarHBondContact CD-OD1 3.18Å; R28-D155 WeakPolarHBondContact CG-OD1 3.33Å; S151-D155 CarbonylContact O-C 3.43Å; S151-D155 WeakPolarHBondContact O-CA 3.31Å; S151-D155 PolarHBondContact O-N 3.08Å |
| 156 | L | 98.5 | Very high | 98.2 | Very high | 89 Ų | 89 | 46.5 Ų | 46.5 | 47% | 0.466 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -89.9 | 126.1 | -179.7 | -65.9 | 173.2 | 0 | 0 | 0 | 111.3 | T150 S151 E154 V158 | T150-L156 VanDerWaalsContact CA-O 3.31Å; T150-L156 WeakPolarHBondContact CA-O 3.07Å; T150-L156 WeakPolarHBondContact CB-O 3.42Å; S151-L156 PolarHBondContact N-O 3.2Å; S151-L156 VanDerWaalsContact N-O 3.1Å; S151-L156 PolarHBondContact O-N 3.23Å; E154-L156 HydrophobicContact CB-CD1 3.96Å; E154-L156 HydrophobicContact CB-CG 3.94Å; E154-L156 PolarHBondContact O-N 3.34Å; L156-V158 PolarHBondContact O-N 3.24Å; L156-V158 VanDerWaalsContact O-N 3.12Å |
| 157 | N | 98.3 | Very high | 98.2 | Very high | 63 Ų | 63 | 42 Ų | 42 | 34% | 0.337 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 61.8 | 7.4 | 177.2 | -68 | -36.4 | 0 | 0 | 0 | 115.5 | R149 T150 E160 V161 | R149-N157 WeakPolarHBondContact O-CB 3.37Å; R149-N157 PolarHBondContact O-ND2 3.25Å; T150-N157 HydrophobicContact CG2-CB 3.92Å; N157-E160 WeakPolarHBondContact CA-OE2 3.46Å; N157-V161 WeakPolarHBondContact O-CG2 3.36Å; N157-V161 PolarHBondContact O-N 3.34Å |
| 158 | V | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67 | -46.3 | -178.1 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | M25 R28 Y29 V152 L156 E160 F162 | M25-V158 HydrophobicContact CG-CG1 4.23Å; R28-V158 HydrophobicContact CG-CG1 4.21Å; R28-V158 HydrophobicContact CG-CG2 4.35Å; Y29-V158 HydrophobicContact CD2-CG1 4.41Å; V152-V158 HydrophobicContact CG2-CG2 4.18Å; L156-V158 PolarHBondContact O-N 3.24Å; L156-V158 VanDerWaalsContact O-N 3.12Å; V158-E160 VanDerWaalsContact C-N 3.32Å; V158-E160 PolarHBondContact O-N 3.32Å; V158-F162 HydrophobicContact CG1-CE2 4.18Å; V158-F162 WeakPolarHBondContact O-CD2 3.1Å |
| 159 | N | 97.8 | Very high | 98 | Very high | 53 Ų | 53 | 44 Ų | 44 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.5 | -35.1 | -179.5 | -71.1 | -73.8 | 0 | 0 | 0 | 111.9 | Y29 R49 V161 F162 K163 | Y29-N159 WeakPolarHBondContact CD2-OD1 3.4Å; Y29-N159 HydrophobicContact CE2-CB 4.44Å; Y29-N159 WeakPolarHBondContact CE2-OD1 3.36Å; R49-N159 PolarHBondContact NH1-OD1 2.84Å; N159-V161 PolarHBondContact O-N 3.33Å; N159-F162 PolarHBondContact O-N 3.3Å; N159-K163 VanDerWaalsContact O-CB 3.31Å; N159-K163 WeakPolarHBondContact O-CB 3.21Å; N159-K163 PolarHBondContact O-N 3.08Å |
| 160 | E | 98.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 40.9 Ų | 40.9 | 41% | 0.411 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.7 | -38.8 | -177.7 | -68.9 | 69.4 | -163.5 | 0 | 0 | 111.7 | Y148 N157 V158 Y164 | Y148-E160 HydrophobicContact CE1-CB 4.14Å; N157-E160 WeakPolarHBondContact CA-OE2 3.46Å; V158-E160 VanDerWaalsContact C-N 3.32Å; V158-E160 PolarHBondContact O-N 3.32Å; E160-Y164 VanDerWaalsContact O-CB 3.22Å; E160-Y164 WeakPolarHBondContact O-CB 3.31Å; E160-Y164 PolarHBondContact O-N 3.21Å |
| 161 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.1 | -53.7 | 174.6 | 166.1 | 0 | 0 | 0 | 0 | 110.6 | V86 V117 V119 Y148 T150 N157 N159 Y164 L165 | V86-V161 HydrophobicContact CG1-CG1 4.14Å; V86-V161 HydrophobicContact CG2-CG1 3.97Å; V117-V161 HydrophobicContact CG2-CG1 3.78Å; V119-V161 HydrophobicContact CG2-CG1 4.2Å; V119-V161 HydrophobicContact CG2-CG2 3.92Å; Y148-V161 HydrophobicContact CD2-CG2 3.8Å; Y148-V161 HydrophobicContact CG-CG2 3.79Å; T150-V161 HydrophobicContact CG2-CG2 3.9Å; N157-V161 WeakPolarHBondContact O-CG2 3.36Å; N157-V161 PolarHBondContact O-N 3.34Å; N159-V161 PolarHBondContact O-N 3.33Å; V161-Y164 PolarHBondContact O-N 3.15Å; V161-L165 PolarHBondContact O-N 3.45Å |
| 162 | F | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74 | -36.7 | -175.9 | -66.5 | -71.7 | 0 | 0 | 0 | 112.7 | V14 M25 Y29 L60 L62 V86 V158 N159 Y164 L165 A166 | V14-F162 HydrophobicContact CG2-CE1 4.49Å; M25-F162 HydrophobicContact CG-CE2 3.85Å; M25-F162 HydrophobicContact CG-CZ 3.95Å; M25-F162 HydrophobicContact SD-CE2 4.32Å; M25-F162 HydrophobicContact SD-CZ 4.21Å; Y29-F162 HydrophobicContact CD1-CB 4.47Å; Y29-F162 AromaticContact CD1-CD2 3.77Å; Y29-F162 HydrophobicContact CD1-CD2 3.77Å; Y29-F162 HydrophobicContact CD1-CE2 4.11Å; Y29-F162 HydrophobicContact CD1-CG 4.01Å; Y29-F162 HydrophobicContact CD2-CB 4.21Å; Y29-F162 AromaticContact CD2-CD2 3.37Å; Y29-F162 HydrophobicContact CD2-CD2 3.37Å; Y29-F162 HydrophobicContact CD2-CE2 4.06Å; Y29-F162 HydrophobicContact CD2-CG 4.07Å; Y29-F162 HydrophobicContact CE1-CB 3.9Å; Y29-F162 HydrophobicContact CE1-CD1 4.48Å; Y29-F162 HydrophobicContact CE1-CD2 4.07Å; Y29-F162 AromaticContact CE1-CG 3.9Å; Y29-F162 HydrophobicContact CE1-CG 3.9Å; Y29-F162 HydrophobicContact CE2-CB 3.65Å; Y29-F162 AromaticContact CE2-CD2 3.74Å; Y29-F162 HydrophobicContact CE2-CD2 3.74Å; Y29-F162 HydrophobicContact CE2-CG 4Å; Y29-F162 AromaticContact CG-CD2 3.37Å; Y29-F162 HydrophobicContact CG-CD2 3.37Å; Y29-F162 AromaticContact CG-CE2 3.67Å; Y29-F162 HydrophobicContact CG-CE2 3.67Å; Y29-F162 HydrophobicContact CG-CG 4.06Å; Y29-F162 VanDerWaalsContact CZ-CB 3.46Å; Y29-F162 AromaticContact CZ-CG 3.9Å; L60-F162 HydrophobicContact CD1-CB 3.73Å; L60-F162 HydrophobicContact CD1-CD1 4.35Å; L60-F162 HydrophobicContact CD1-CG 4.43Å; L62-F162 HydrophobicContact CD1-CD1 4.32Å; L62-F162 HydrophobicContact CD1-CE1 3.85Å; L62-F162 HydrophobicContact CD1-CZ 4.05Å; L62-F162 HydrophobicContact CD2-CD1 3.82Å; L62-F162 HydrophobicContact CD2-CE1 3.63Å; L62-F162 HydrophobicContact CG-CE1 4.42Å; V86-F162 HydrophobicContact CG2-CE1 4.12Å; V158-F162 HydrophobicContact CG1-CE2 4.18Å; V158-F162 WeakPolarHBondContact O-CD2 3.1Å; N159-F162 PolarHBondContact O-N 3.3Å; F162-Y164 VanDerWaalsContact C-N 3.34Å; F162-Y164 PolarHBondContact O-N 3.27Å; F162-L165 PolarHBondContact O-N 3.46Å; F162-A166 PolarHBondContact O-N 3.3Å |
| 163 | K | 98 | Very high | 97.2 | Very high | 127 Ų | 127 | 51.2 Ų | 51.2 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.7 | -41.9 | 173.8 | -174.9 | 176 | -179.2 | 176.6 | 0 | 111.7 | V53 N159 A166 D167 | V53-K163 HydrophobicContact CG2-CG 4.43Å; N159-K163 VanDerWaalsContact O-CB 3.31Å; N159-K163 WeakPolarHBondContact O-CB 3.21Å; N159-K163 PolarHBondContact O-N 3.08Å; K163-A166 PolarHBondContact O-N 3.32Å; K163-D167 WeakPolarHBondContact O-CB 3.5Å; K163-D167 PolarHBondContact O-N 3.22Å |
| 164 | Y | 98.4 | Very high | 97 | Very high | 57 Ų | 57 | 52.3 Ų | 52.3 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.2 | 171.9 | -90.7 | 0 | 0 | 0 | 112.1 | V117 R146 Y148 E160 V161 F162 K168 | V117-Y164 HydrophobicContact CG1-CD1 3.25Å; V117-Y164 HydrophobicContact CG1-CE1 3.45Å; V117-Y164 VanDerWaalsContact CG1-CE1 3.45Å; V117-Y164 HydrophobicContact CG1-CG 4.39Å; R146-Y164 HydrophobicContact CB-CD1 4.43Å; R146-Y164 HydrophobicContact CB-CE1 3.64Å; R146-Y164 HydrophobicContact CB-CE2 4.19Å; R146-Y164 WeakPolarHBondContact CB-OH 3.39Å; R146-Y164 HydrophobicContact CG-CD1 4.29Å; R146-Y164 HydrophobicContact CG-CD2 4.28Å; R146-Y164 HydrophobicContact CG-CE1 3.93Å; R146-Y164 HydrophobicContact CG-CE2 3.91Å; R146-Y164 HydrophobicContact CG-CG 4.45Å; Y148-Y164 HydrophobicContact CE2-CD1 4.45Å; Y148-Y164 HydrophobicContact CE2-CG 4.24Å; E160-Y164 VanDerWaalsContact O-CB 3.22Å; E160-Y164 WeakPolarHBondContact O-CB 3.31Å; E160-Y164 PolarHBondContact O-N 3.21Å; V161-Y164 PolarHBondContact O-N 3.15Å; F162-Y164 VanDerWaalsContact C-N 3.34Å; F162-Y164 PolarHBondContact O-N 3.27Å; Y164-K168 HydrophobicContact CD1-CG 4.25Å; Y164-K168 HydrophobicContact CD2-CG 4.28Å; Y164-K168 HydrophobicContact CE1-CG 3.77Å; Y164-K168 HydrophobicContact CE2-CD 4.3Å; Y164-K168 HydrophobicContact CE2-CG 3.79Å; Y164-K168 HydrophobicContact CG-CG 4.5Å; Y164-K168 WeakPolarHBondContact O-CB 3.5Å; Y164-K168 WeakPolarHBondContact O-CG 3.45Å; Y164-K168 PolarHBondContact O-N 3.26Å |
| 165 | L | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 177.7 | -73.9 | 178.2 | 0 | 0 | 0 | 112 | V12 A84 V86 P115 V117 V161 F162 K168 Y169 | V12-L165 HydrophobicContact CG1-CD1 3.89Å; A84-L165 HydrophobicContact CB-CB 4.2Å; A84-L165 HydrophobicContact CB-CD1 4.23Å; A84-L165 HydrophobicContact CB-CD2 4.12Å; A84-L165 HydrophobicContact CB-CG 4.42Å; V86-L165 HydrophobicContact CG2-CD1 3.51Å; P115-L165 HydrophobicContact CB-CD2 4.11Å; P115-L165 WeakPolarHBondContact O-CD2 3.5Å; V117-L165 HydrophobicContact CB-CD2 4.46Å; V117-L165 HydrophobicContact CG1-CD2 3.77Å; V117-L165 HydrophobicContact CG1-CG 4.1Å; V117-L165 HydrophobicContact CG2-CD1 3.93Å; V117-L165 HydrophobicContact CG2-CD2 4.08Å; V117-L165 HydrophobicContact CG2-CG 4.06Å; V161-L165 PolarHBondContact O-N 3.45Å; F162-L165 PolarHBondContact O-N 3.46Å; L165-K168 PolarHBondContact O-N 3.47Å; L165-Y169 WeakPolarHBondContact O-CB 3.34Å; L165-Y169 PolarHBondContact O-N 3.27Å |
| 166 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -53.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I10 L51 V53 V58 L60 F162 K163 K168 Y169 L170 | I10-A166 HydrophobicContact CD1-CB 4.3Å; L51-A166 HydrophobicContact CD1-CB 4.3Å; V53-A166 HydrophobicContact CG2-CB 4Å; V58-A166 HydrophobicContact CG1-CB 4.18Å; L60-A166 HydrophobicContact CD2-CB 4.25Å; F162-A166 PolarHBondContact O-N 3.3Å; K163-A166 PolarHBondContact O-N 3.32Å; A166-K168 VanDerWaalsContact C-N 3.33Å; A166-K168 PolarHBondContact O-N 2.84Å; A166-Y169 PolarHBondContact O-N 3.05Å; A166-Y169 VanDerWaalsContact O-N 3.16Å; A166-L170 WeakPolarHBondContact O-CG 3.37Å; A166-L170 PolarHBondContact O-N 3.35Å |
| 167 | D | 97.5 | Very high | 95.5 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 19% | 0.193 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56 | -45.1 | 178.5 | 174 | 51.1 | 0 | 0 | 0 | 112.3 | V53 N54 K163 Y169 L170 Q171 | V53-D167 HydrophobicContact CG1-CB 3.91Å; N54-D167 PolarHBondContact ND2-OD1 3.07Å; K163-D167 WeakPolarHBondContact O-CB 3.5Å; K163-D167 PolarHBondContact O-N 3.22Å; D167-Y169 PolarHBondContact O-N 2.83Å; D167-L170 PolarHBondContact O-N 3.21Å; D167-Q171 VanDerWaalsContact O-CG 3.31Å; D167-Q171 WeakPolarHBondContact O-CG 3.49Å; D167-Q171 PolarHBondContact O-N 3.16Å; D167-Q171 PolarHBondContact OD1-NE2 3.43Å; D167-Q171 PolarHBondContact OD2-NE2 3.09Å |
| 168 | K | 97.7 | Very high | 94.6 | Very high | 68 Ų | 68 | 60.4 Ų | 60.4 | 30% | 0.296 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 178.6 | -78.3 | -70.4 | 163.6 | -152.1 | 0 | 113.4 | P115 Y164 L165 A166 R172 | P115-K168 HydrophobicContact CB-CB 3.99Å; P115-K168 HydrophobicContact CG-CB 4.25Å; Y164-K168 HydrophobicContact CD1-CG 4.25Å; Y164-K168 HydrophobicContact CD2-CG 4.28Å; Y164-K168 HydrophobicContact CE1-CG 3.77Å; Y164-K168 HydrophobicContact CE2-CD 4.3Å; Y164-K168 HydrophobicContact CE2-CG 3.79Å; Y164-K168 HydrophobicContact CG-CG 4.5Å; Y164-K168 WeakPolarHBondContact O-CB 3.5Å; Y164-K168 WeakPolarHBondContact O-CG 3.45Å; Y164-K168 PolarHBondContact O-N 3.26Å; L165-K168 PolarHBondContact O-N 3.47Å; A166-K168 VanDerWaalsContact C-N 3.33Å; A166-K168 PolarHBondContact O-N 2.84Å; K168-R172 WeakPolarHBondContact O-CG 3.18Å; K168-R172 PolarHBondContact O-N 2.98Å |
| 169 | Y | 96.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68 | -45.6 | 176.6 | -175.8 | -104.4 | 0 | 0 | 0 | 111.4 | V8 I10 Q83 L165 A166 D167 Q171 R172 L173 | V8-Y169 HydrophobicContact CG1-CD1 4.31Å; V8-Y169 HydrophobicContact CG1-CE1 4.07Å; I10-Y169 HydrophobicContact CB-CD1 4.49Å; I10-Y169 HydrophobicContact CD1-CD1 3.46Å; I10-Y169 VanDerWaalsContact CD1-CD1 3.46Å; I10-Y169 HydrophobicContact CD1-CE1 4.32Å; I10-Y169 HydrophobicContact CD1-CG 3.98Å; I10-Y169 HydrophobicContact CG1-CD1 3.56Å; I10-Y169 HydrophobicContact CG1-CE1 3.92Å; I10-Y169 HydrophobicContact CG1-CG 4.3Å; I10-Y169 HydrophobicContact CG2-CD1 4.23Å; I10-Y169 HydrophobicContact CG2-CG 4.22Å; Q83-Y169 HydrophobicContact CB-CD2 4.01Å; Q83-Y169 HydrophobicContact CB-CE2 3.6Å; Q83-Y169 HydrophobicContact CG-CE2 3.87Å; Q83-Y169 PolarHBondContact NE2-OH 3.14Å; L165-Y169 WeakPolarHBondContact O-CB 3.34Å; L165-Y169 PolarHBondContact O-N 3.27Å; A166-Y169 PolarHBondContact O-N 3.05Å; A166-Y169 VanDerWaalsContact O-N 3.16Å; D167-Y169 PolarHBondContact O-N 2.83Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 2.92Å; Y169-R172 WeakPolarHBondContact O-CB 3.43Å; Y169-R172 PolarHBondContact O-N 3.38Å; Y169-L173 HydrophobicContact CD1-CD1 3.95Å; Y169-L173 HydrophobicContact CD1-CG 4.25Å; Y169-L173 HydrophobicContact CE1-CD1 3.47Å; Y169-L173 VanDerWaalsContact CE1-CD1 3.47Å; Y169-L173 HydrophobicContact CE1-CD2 4.26Å; Y169-L173 HydrophobicContact CE1-CG 3.86Å; Y169-L173 PolarHBondContact O-N 3.12Å |
| 170 | L | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 175.4 | -67.4 | -176.2 | 0 | 0 | 0 | 112.3 | V8 V53 E56 V58 A166 D167 R172 L173 K174 | V8-L170 HydrophobicContact CB-CD2 4.15Å; V8-L170 HydrophobicContact CG1-CD2 3.88Å; V8-L170 HydrophobicContact CG2-CD2 4.1Å; V53-L170 HydrophobicContact CB-CD1 4.13Å; V53-L170 HydrophobicContact CG1-CD1 4.11Å; E56-L170 HydrophobicContact CB-CD1 4.1Å; E56-L170 WeakPolarHBondContact OE2-CD2 3.46Å; V58-L170 HydrophobicContact CG2-CD1 3.79Å; V58-L170 HydrophobicContact CG2-CD2 4.09Å; V58-L170 HydrophobicContact CG2-CG 4.2Å; A166-L170 WeakPolarHBondContact O-CG 3.37Å; A166-L170 PolarHBondContact O-N 3.35Å; D167-L170 PolarHBondContact O-N 3.21Å; L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 PolarHBondContact O-N 3.11Å; L170-L173 PolarHBondContact O-N 3.38Å; L170-K174 WeakPolarHBondContact O-CG 3.42Å; L170-K174 PolarHBondContact O-N 3.23Å |
| 171 | Q | 95.1 | Very high | 89.1 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 37% | 0.369 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.8 | -39 | 174.9 | -75.2 | 168.5 | 27.6 | 0 | 0 | 112.4 | D167 Y169 R175 | D167-Q171 VanDerWaalsContact O-CG 3.31Å; D167-Q171 WeakPolarHBondContact O-CG 3.49Å; D167-Q171 PolarHBondContact O-N 3.16Å; D167-Q171 PolarHBondContact OD1-NE2 3.43Å; D167-Q171 PolarHBondContact OD2-NE2 3.09Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 2.92Å; Q171-R175 PolarHBondContact O-N 3.32Å |
| 172 | R | 94.4 | Very high | 86.7 | Confident | 88 Ų | 88 | 80.9 Ų | 80.9 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 176.7 | -74.2 | -174.2 | 179.6 | -164.6 | 0.8 | 111.5 | D113 K168 Y169 L170 R175 Q176 | D113-R172 PolarHBondContact O-NH1 3.4Å; D113-R172 IonicContact OD1-CZ 3.98Å; D113-R172 IonicContact OD1-NH1 3.46Å; D113-R172 PolarHBondContact OD1-NH1 3.4Å; D113-R172 IonicContact OD1-NH2 3.62Å; D113-R172 PolarHBondContact OD1-NH2 2.95Å; D113-R172 IonicContact OD2-CZ 3.77Å; D113-R172 IonicContact OD2-NH1 2.87Å; D113-R172 IonicContact OD2-NH2 3.92Å; D113-R172 PolarHBondContact OD2-NH2 3.41Å; K168-R172 WeakPolarHBondContact O-CG 3.18Å; K168-R172 PolarHBondContact O-N 2.98Å; Y169-R172 WeakPolarHBondContact O-CB 3.43Å; Y169-R172 PolarHBondContact O-N 3.38Å; L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 PolarHBondContact O-N 3.11Å; R172-R175 PolarHBondContact O-N 3.07Å; R172-Q176 WeakPolarHBondContact O-CG 3.42Å; R172-Q176 PolarHBondContact O-N 2.72Å; R172-Q176 VanDerWaalsContact O-N 3.12Å |
| 173 | L | 91.9 | Very high | 84.6 | Confident | 52 Ų | 52 | 86.2 Ų | 86.2 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 176.2 | -72.3 | -178.2 | 0 | 0 | 0 | 111.9 | V8 Y169 L170 R175 Q176 T177 | V8-L173 HydrophobicContact CG1-CD1 3.99Å; Y169-L173 HydrophobicContact CD1-CD1 3.95Å; Y169-L173 HydrophobicContact CD1-CG 4.25Å; Y169-L173 HydrophobicContact CE1-CD1 3.47Å; Y169-L173 VanDerWaalsContact CE1-CD1 3.47Å; Y169-L173 HydrophobicContact CE1-CD2 4.26Å; Y169-L173 HydrophobicContact CE1-CG 3.86Å; Y169-L173 PolarHBondContact O-N 3.12Å; L170-L173 PolarHBondContact O-N 3.38Å; L173-R175 PolarHBondContact O-N 3.2Å; L173-Q176 PolarHBondContact O-N 3.36Å; L173-Q176 VanDerWaalsContact O-N 3.07Å; L173-T177 PolarHBondContact O-N 2.81Å; L173-T177 PolarHBondContact O-OG1 3.02Å |
| 174 | K | 91.2 | Very high | 82.3 | Confident | 97 Ų | 97 | 85.3 Ų | 85.3 | 42% | 0.422 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.1 | -37.3 | 179 | -72.7 | 179.2 | -178.8 | -177.7 | 0 | 112.8 | E56 L170 T177 A178 | E56-K174 WeakPolarHBondContact OE1-CE 3.2Å; E56-K174 IonicContact OE1-NZ 2.66Å; E56-K174 PolarHBondContact OE1-NZ 3.14Å; L170-K174 WeakPolarHBondContact O-CG 3.42Å; L170-K174 PolarHBondContact O-N 3.23Å; K174-T177 WeakPolarHBondContact CA-OG1 3.42Å; K174-T177 PolarHBondContact O-OG1 3.4Å; K174-A178 WeakPolarHBondContact O-CB 3.35Å; K174-A178 PolarHBondContact O-N 3.14Å |
| 175 | R | 91.9 | Very high | 79.9 | Confident | 170 Ų | 170 | 90.5 Ų | 90.5 | 64% | 0.642 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.8 | -41 | 177.6 | -173.7 | 176 | 173.8 | -173.6 | -1.7 | 112 | Q171 R172 L173 A178 E179 | Q171-R175 PolarHBondContact O-N 3.32Å; R172-R175 PolarHBondContact O-N 3.07Å; L173-R175 PolarHBondContact O-N 3.2Å; R175-A178 PolarHBondContact O-N 3.08Å; R175-E179 WeakPolarHBondContact CG-OE1 3.37Å; R175-E179 IonicContact CZ-OE1 3.86Å; R175-E179 IonicContact NE-OE1 2.72Å; R175-E179 PolarHBondContact NE-OE1 3.45Å; R175-E179 IonicContact NH2-OE1 3.3Å; R175-E179 PolarHBondContact NH2-OE1 2.89Å; R175-E179 WeakPolarHBondContact O-CG 3.32Å; R175-E179 PolarHBondContact O-N 3.32Å |
| 176 | Q | 87.5 | Confident | 77.3 | Confident | 124 Ų | 124 | 95.5 Ų | 95.5 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | 177.9 | -71.1 | 172.3 | -2.4 | 0 | 0 | 111.8 | R172 L173 A178 E179 | R172-Q176 WeakPolarHBondContact O-CG 3.42Å; R172-Q176 PolarHBondContact O-N 2.72Å; R172-Q176 VanDerWaalsContact O-N 3.12Å; L173-Q176 PolarHBondContact O-N 3.36Å; L173-Q176 VanDerWaalsContact O-N 3.07Å; Q176-A178 VanDerWaalsContact C-N 3.3Å; Q176-A178 PolarHBondContact O-N 3.01Å; Q176-E179 PolarHBondContact O-N 2.95Å |
| 177 | T | 83.6 | Confident | 74.8 | Confident | 105 Ų | 105 | 102 Ų | 102 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.5 | -27 | 176.5 | 49.8 | 0 | 0 | 0 | 0 | 113.5 | L173 K174 | L173-T177 PolarHBondContact O-N 2.81Å; L173-T177 PolarHBondContact O-OG1 3.02Å; K174-T177 WeakPolarHBondContact CA-OG1 3.42Å; K174-T177 PolarHBondContact O-OG1 3.4Å |
| 178 | A | 79.2 | Confident | 72.4 | Confident | 84 Ų | 84 | 105.2 Ų | 105.2 | 69% | 0.694 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -81.3 | -17.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K174 R175 Q176 | K174-A178 WeakPolarHBondContact O-CB 3.35Å; K174-A178 PolarHBondContact O-N 3.14Å; R175-A178 PolarHBondContact O-N 3.08Å; Q176-A178 VanDerWaalsContact C-N 3.3Å; Q176-A178 PolarHBondContact O-N 3.01Å |
| 179 | E | 72.3 | Confident | 69.8 | Low | 123 Ų | 123 | 109.6 Ų | 109.6 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -97.3 | -5.1 | -176.7 | -71.4 | 176.6 | -173.5 | 0 | 0 | 113.2 | R175 Q176 P181 | R175-E179 WeakPolarHBondContact CG-OE1 3.37Å; R175-E179 IonicContact CZ-OE1 3.86Å; R175-E179 IonicContact NE-OE1 2.72Å; R175-E179 PolarHBondContact NE-OE1 3.45Å; R175-E179 IonicContact NH2-OE1 3.3Å; R175-E179 PolarHBondContact NH2-OE1 2.89Å; R175-E179 WeakPolarHBondContact O-CG 3.32Å; R175-E179 PolarHBondContact O-N 3.32Å; Q176-E179 PolarHBondContact O-N 2.95Å; E179-P181 VanDerWaalsContact O-CD 3.31Å; E179-P181 WeakPolarHBondContact O-CD 3.31Å |
| 180 | E | 54.8 | Low | 67.2 | Low | 160 Ų | 160 | 117.6 Ų | 117.6 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -80.9 | 113.3 | 168.6 | -73.9 | -169 | 165.9 | 0 | 0 | 110.6 | E182 | E180-E182 PolarHBondContact O-N 2.9Š|
| 181 | P | 51.5 | Low | 64.8 | Low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 66% | 0.655 | S | S | * | * | trans | -70.5 | 130.3 | 174.4 | 28 | -31.1 | 0 | 0 | 0 | 109.9 | E179 V183 | E179-P181 VanDerWaalsContact O-CD 3.31Å; E179-P181 WeakPolarHBondContact O-CD 3.31Å; P181-V183 PolarHBondContact O-N 2.69Å | ||
| 182 | E | 49.3 | Very low | 61.9 | Low | 177 Ų | 177 | 125 Ų | 125 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | trans | -54 | 105.7 | 166.3 | -73.5 | -160.2 | 162.1 | 0 | 0 | 109.5 | E180 V184 | E180-E182 PolarHBondContact O-N 2.9Å; E182-V184 VanDerWaalsContact C-N 3.26Å; E182-V184 PolarHBondContact O-N 3.17Å | ||
| 183 | V | 54.1 | Low | 59 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | trans | -71.8 | 92.8 | 165.2 | -175.5 | 0 | 0 | 0 | 0 | 106.2 | P181 H185 | P181-V183 PolarHBondContact O-N 2.69Å; V183-H185 VanDerWaalsContact C-N 3.28Å; V183-H185 PolarHBondContact O-N 2.81Å | ||
| 184 | V | 49.9 | Very low | 56.3 | Low | 107 Ų | 107 | 132.9 Ų | 132.9 | 65% | 0.648 | 72% | 0.716 | S | S | * | * | trans | -60.5 | 92.6 | 171 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | E182 T186 | E182-V184 VanDerWaalsContact C-N 3.26Å; E182-V184 PolarHBondContact O-N 3.17Å; V184-T186 PolarHBondContact O-N 3.07Å | ||
| 185 | H | 47.7 | Very low | 53.4 | Low | 167 Ų | 167 | 136.2 Ų | 136.2 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -68.2 | 83.2 | 166.2 | -88.2 | -65.9 | 0 | 0 | 0 | 108.5 | V183 T187 | V183-H185 VanDerWaalsContact C-N 3.28Å; V183-H185 PolarHBondContact O-N 2.81Å; H185-T187 PolarHBondContact O-N 3.17Å | ||
| 186 | T | 42.8 | Very low | 50.5 | Low | 105 Ų | 105 | 132.8 Ų | 132.8 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | trans | -69.8 | 98.5 | 167 | -49.2 | 0 | 0 | 0 | 0 | 107.3 | V184 S188 | V184-T186 PolarHBondContact O-N 3.07Å; T186-S188 PolarHBondContact O-N 2.95Å | ||
| 187 | T | 47.1 | Very low | 47.9 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -57 | 105.6 | 165.6 | 38.7 | 0 | 0 | 0 | 0 | 109.3 | H185 | H185-T187 PolarHBondContact O-N 3.17Š| ||
| 188 | S | 45.5 | Very low | 45.4 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -115.3 | 92.5 | 162.2 | -70.2 | 0 | 0 | 0 | 0 | 108.7 | T186 K190 | T186-S188 PolarHBondContact O-N 2.95Å; S188-K190 PolarHBondContact O-N 2.84Å | ||
| 189 | N | 43.7 | Very low | 43.2 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | -59.8 | 111 | 156.1 | -94.9 | -19.9 | 0 | 0 | 0 | 108.6 | ||||
| 190 | K | 43.2 | Very low | 41.2 | Very low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | trans | -141.4 | 114.2 | 150.1 | -78.5 | -163.6 | 178.3 | 176.4 | 0 | 111.1 | S188 | S188-K190 PolarHBondContact O-N 2.84Š| ||
| 191 | I | 44.4 | Very low | 40.1 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -77.5 | 142.3 | 165.1 | -71.7 | 158.4 | 0 | 0 | 0 | 108.8 | ||||
| 192 | G | 33.6 | Very low | 39.1 | Very low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 151.8 | 84.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 193 | V | 34.6 | Very low | 38.2 | Very low | 133 Ų | 133 | 131 Ų | 131 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | 69.7 | 113.4 | 94.8 | -177.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 194 | F | 34.3 | Very low | 37.1 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 28.5 | 131.6 | 148.6 | -87.6 | -96 | 0 | 0 | 0 | 122.2 | ||||
| 195 | N | 31.2 | Very low | 36.3 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | -159.6 | 137.9 | 112.2 | -100.3 | -13.6 | 0 | 0 | 0 | 114 | |||||
| 196 | T | 31.1 | Very low | 35.5 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 61% | 0.607 | 77% | 0.765 | S | S | * | * | trans | -81.4 | 140.2 | 170.4 | -48.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 197 | T | 32 | Very low | 35 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | 171.1 | 147 | 122.6 | 33.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 198 | S | 31.6 | Very low | 34.4 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -72.9 | 155.3 | -169.6 | -36.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 199 | S | 31.5 | Very low | 33.8 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | 168 | 128.8 | 107.3 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 200 | N | 30.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | 47 | 138.6 | 135.2 | -62.1 | -9.5 | 0 | 0 | 0 | 120 | ||||
| 201 | L | 32.6 | Very low | 33.1 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | cis | -172.7 | 149.8 | 42.5 | -159.7 | 78.3 | 0 | 0 | 0 | 111.2 | ||||
| 202 | S | 29.4 | Very low | 32.8 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | 60.3 | 132 | 147.3 | 58.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 203 | S | 31.9 | Very low | 33.2 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -170.6 | 141.3 | 46.6 | -40.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 204 | Q | 30.6 | Very low | 33.2 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | 43.7 | 117.7 | 136.7 | -57.1 | -171.8 | 12.2 | 0 | 0 | 121 | ||||
| 205 | N | 31.8 | Very low | 33.4 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 169.4 | 130.4 | 88.8 | -106 | -18.7 | 0 | 0 | 0 | 113.8 | |||||
| 206 | S | 32.2 | Very low | 33.8 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | 48.7 | 113.9 | 135.7 | -52.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 207 | S | 32.3 | Very low | 34.1 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 53.6 | 109.1 | 130.6 | 65.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 208 | N | 34.8 | Very low | 34.3 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | -173.4 | 125.1 | 110 | -93.8 | -23.9 | 0 | 0 | 0 | 111.2 | |||||
| 209 | G | 31.6 | Very low | 34.7 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -73.7 | 135.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 210 | R | 35.9 | Very low | 35.1 | Very low | 238 Ų | 238 | 145.9 Ų | 145.9 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -142.2 | 109.8 | 151.5 | -79 | -171.8 | 173.9 | 161.3 | -2.3 | 107.3 | V212 | R210-V212 PolarHBondContact O-N 2.82Š| ||
| 211 | E | 36.4 | Very low | 35.3 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -65.1 | 126.3 | 172.7 | -75.1 | 179.9 | 141.6 | 0 | 0 | 110 | ||||
| 212 | V | 39 | Very low | 35.6 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -101.6 | 107.2 | 171.1 | 177.9 | 0 | 0 | 0 | 0 | 107.4 | R210 S214 | R210-V212 PolarHBondContact O-N 2.82Å; V212-S214 PolarHBondContact O-N 3.12Å | ||
| 213 | I | 42.2 | Very low | 36 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -73 | 108.9 | 174.9 | -63.7 | 167.9 | 0 | 0 | 0 | 108.1 | L215 | I213-L215 HydrophobicContact CG2-CD2 4.39Å; I213-L215 HydrophobicContact CG2-CG 4.38Å; I213-L215 PolarHBondContact O-N 3.05Å | ||
| 214 | S | 35 | Very low | 36.2 | Very low | 98 Ų | 98 | 159.9 Ų | 159.9 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | -82.3 | 110.6 | 172 | 88.3 | 0 | 0 | 0 | 0 | 109.8 | V212 | V212-S214 PolarHBondContact O-N 3.12Š| ||
| 215 | L | 38.4 | Very low | 36.5 | Very low | 161 Ų | 161 | 157.8 Ų | 157.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -86.1 | 114.2 | 170.9 | -69 | 169.6 | 0 | 0 | 0 | 109.4 | I213 | I213-L215 HydrophobicContact CG2-CD2 4.39Å; I213-L215 HydrophobicContact CG2-CG 4.38Å; I213-L215 PolarHBondContact O-N 3.05Å | ||
| 216 | R | 38.2 | Very low | 36.9 | Very low | 223 Ų | 223 | 160.9 Ų | 160.9 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 134.3 | 170.1 | -65.5 | -178.8 | 179.9 | -174.8 | -0.3 | 109.3 | N218 | R216-N218 PolarHBondContact O-N 2.98Š|
| 217 | P | 38.8 | Very low | 37.2 | Very low | 132 Ų | 132 | 163 Ų | 163 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 117.4 | 172.5 | 18.7 | -15.8 | 0 | 0 | 0 | 110.7 | ||
| 218 | N | 35.9 | Very low | 37.9 | Very low | 136 Ų | 136 | 164.2 Ų | 164.2 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 117.3 | 175.5 | -161.6 | 4.9 | 0 | 0 | 0 | 109.7 | R216 Q220 | R216-N218 PolarHBondContact O-N 2.98Å; N218-Q220 PolarHBondContact O-N 3.37Å |
| 219 | K | 39.9 | Very low | 38.2 | Very low | 207 Ų | 207 | 165.8 Ų | 165.8 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | trans | -73.1 | 105.6 | 170.4 | -96.2 | 177.2 | 174.6 | 173.4 | 0 | 108.8 | ||||
| 220 | Q | 39.3 | Very low | 38.4 | Very low | 160 Ų | 160 | 165.8 Ų | 165.8 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -116.7 | 111.8 | 159.7 | -77.4 | -172 | 2.1 | 0 | 0 | 110.7 | N218 | N218-Q220 PolarHBondContact O-N 3.37Š| ||
| 221 | R | 34.5 | Very low | 38.8 | Very low | 230 Ų | 230 | 160.1 Ų | 160.1 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -83 | 105.4 | 175.7 | 175.1 | 179.9 | 167 | 177.2 | -2.5 | 108 | ||||
| 222 | T | 39.6 | Very low | 38.7 | Very low | 125 Ų | 125 | 157.2 Ų | 157.2 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | trans | -97.1 | 118.4 | 170.2 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 223 | K | 38.2 | Very low | 38.6 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | trans | -69.9 | 126.2 | 167.4 | -72.3 | 174.7 | 175.3 | 176.6 | 0 | 108 | ||||
| 224 | R | 35.8 | Very low | 38.5 | Very low | 252 Ų | 252 | 155.9 Ų | 155.9 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | trans | -110 | 119 | 162.8 | -101.3 | -176.1 | 166.9 | -174.7 | -3.6 | 109.9 | ||||
| 225 | T | 37.5 | Very low | 38.9 | Very low | 127 Ų | 127 | 162.5 Ų | 162.5 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | trans | -84.6 | 134.9 | 176.4 | 33.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 226 | K | 38.7 | Very low | 38.9 | Very low | 200 Ų | 200 | 162.6 Ų | 162.6 | 87% | 0.87 | 84% | 0.838 | S | S | * | * | trans | 44.3 | 127.8 | 141.7 | -64.2 | -172.9 | 176.7 | -177.1 | 0 | 120.9 | ||||
| 227 | N | 40.3 | Very low | 39 | Very low | 142 Ų | 142 | 159.4 Ų | 159.4 | 76% | 0.759 | 84% | 0.838 | S | S | * | * | trans | -42.6 | 158.5 | 157.1 | -64.1 | -6.9 | 0 | 0 | 0 | 113.4 | ||||
| 228 | P | 46.7 | Very low | 39 | Very low | 125 Ų | 125 | 160.9 Ų | 160.9 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | -136.5 | 156.3 | 102.8 | 32.8 | -18.1 | 0 | 0 | 0 | 114.2 | |||||
| 229 | F | 40.9 | Very low | 39.2 | Very low | 197 Ų | 197 | 162.4 Ų | 162.4 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | -50.3 | 136.5 | 173.1 | -78.2 | -105.3 | 0 | 0 | 0 | 112.7 | ||||
| 230 | G | 34.3 | Very low | 39.1 | Very low | 76 Ų | 76 | 159.6 Ų | 159.6 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | trans | -134 | 102.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 231 | S | 44.2 | Very low | 39.1 | Very low | 118 Ų | 118 | 159.6 Ų | 159.6 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | -55.4 | 135.5 | 167 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 232 | C | 34.3 | Very low | 39.4 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 90% | 0.899 | 84% | 0.844 | S | S | * | * | trans | -136.9 | 108.8 | 158.8 | -150.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 233 | S | 38.3 | Very low | 39.4 | Very low | 94 Ų | 94 | 156.8 Ų | 156.8 | 66% | 0.657 | 85% | 0.85 | S | S | * | * | trans | -99.3 | 161.9 | 164.7 | 44.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 234 | L | 39.3 | Very low | 39.5 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 82% | 0.822 | 86% | 0.855 | S | S | * | * | trans | 88.7 | 127.2 | 174.1 | -59.5 | 148.4 | 0 | 0 | 0 | 112.7 | ||||
| 235 | L | 43.9 | Very low | 39.9 | Very low | 237 Ų | 237 | 146 Ų | 146 | 100% | 1.241 | 85% | 0.846 | S | S | * | * | cis | -145.5 | 0 | 18.2 | -97.7 | 143.8 | 0 | 0 | 0 | 109.5 |
Retrieved 235 of 235 residues in 147.6 ms
(Link to these results)