| 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 | 64.6 | Low | 91.7 | Very high | 233 Ų | 233 | 65.8 Ų | 65.8 | 100% | 1.148 | 35% | 0.345 | S | S | * | . | 0 | 123 | 0 | -164.9 | 171.6 | 99.7 | 0 | 0 | 106.1 | |||||
| 2 | F | 80.2 | Confident | 92.3 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 52% | 0.518 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 152.6 | 178.3 | -66.4 | -75.5 | 0 | 0 | 0 | 110.5 | N218 H219 | F2-N218 WeakPolarHBondContact CB-O 3.06Å; F2-N218 HydrophobicContact CD2-CB 3.91Å; F2-N218 HydrophobicContact CE2-CB 3.96Å; F2-N218 HydrophobicContact CG-CB 4.33Å; F2-N218 HydrophobicContact CZ-CB 4.41Å; F2-H219 AromaticContact CD1-CE1 3.97Å; F2-H219 AromaticContact CD1-NE2 3.41Å; F2-H219 WeakPolarHBondContact CD1-NE2 3.34Å; F2-H219 AromaticContact CG-NE2 3.91Å |
| 3 | A | 89.2 | Confident | 92.8 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 141.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | H219 | A3-H219 PolarHBondContact O-ND1 2.92Š|
| 4 | D | 94.1 | Very high | 93.2 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 120.4 | 179.9 | -159.9 | -41.3 | 0 | 0 | 0 | 110 | S6 K220 | D4-S6 WeakPolarHBondContact OD1-CB 3.42Å; D4-S6 PolarHBondContact OD1-N 3.39Å; D4-S6 PolarHBondContact OD1-OG 2.98Å; D4-K220 IonicContact OD2-NZ 2.76Å; D4-K220 PolarHBondContact OD2-NZ 3Å |
| 5 | W | 96.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | trans | -109.7 | 10.9 | -179.8 | -64 | -15 | 0 | 0 | 0 | 112.8 | N7 I8 M168 V185 I187 Y204 L215 L216 H219 M221 | W5-N7 PolarHBondContact O-N 3.13Å; W5-I8 HydrophobicContact CB-CD1 3.8Å; W5-I8 HydrophobicContact CB-CG1 4.12Å; W5-I8 HydrophobicContact CD2-CD1 4.48Å; W5-I8 HydrophobicContact CG-CD1 3.86Å; W5-I8 WeakPolarHBondContact O-CB 3.3Å; W5-I8 WeakPolarHBondContact O-CG1 3.48Å; W5-I8 PolarHBondContact O-N 2.99Å; W5-M168 HydrophobicContact CD2-CE 3.9Å; W5-M168 HydrophobicContact CE3-CE 3.41Å; W5-M168 VanDerWaalsContact CE3-CE 3.41Å; W5-M168 HydrophobicContact CH2-CE 4.34Å; W5-M168 HydrophobicContact CZ3-CE 3.67Å; W5-V185 HydrophobicContact CH2-CG1 4.04Å; W5-V185 HydrophobicContact CZ2-CG1 3.73Å; W5-V185 HydrophobicContact CZ2-CG2 4.27Å; W5-I187 HydrophobicContact CH2-CD1 4.29Å; W5-I187 HydrophobicContact CZ3-CD1 4.04Å; W5-Y204 HydrophobicContact CH2-CD1 4.05Å; W5-Y204 HydrophobicContact CH2-CD2 4.04Å; W5-Y204 AromaticContact CH2-CE1 4Å; W5-Y204 HydrophobicContact CH2-CE1 4Å; W5-Y204 HydrophobicContact CH2-CE2 4.04Å; W5-Y204 HydrophobicContact CH2-CG 4.06Å; W5-Y204 HydrophobicContact CZ2-CD1 4.41Å; W5-Y204 HydrophobicContact CZ2-CD2 4Å; W5-Y204 AromaticContact CZ2-CE1 3.97Å; W5-Y204 HydrophobicContact CZ2-CE1 3.97Å; W5-Y204 AromaticContact CZ2-CE2 3.56Å; W5-Y204 HydrophobicContact CZ2-CE2 3.56Å; W5-Y204 HydrophobicContact CZ2-CG 4.42Å; W5-Y204 AromaticContact CZ2-CZ 3.54Å; W5-L215 HydrophobicContact CH2-CD2 4.31Å; W5-L215 HydrophobicContact CH2-CG 4.32Å; W5-L215 HydrophobicContact CZ3-CD2 4.43Å; W5-L215 HydrophobicContact CZ3-CG 4.2Å; W5-L216 HydrophobicContact CE3-CD2 4.32Å; W5-L216 HydrophobicContact CZ3-CD2 4.29Å; W5-H219 HydrophobicContact CB-CB 4.11Å; W5-H219 HydrophobicContact CD2-CB 3.42Å; W5-H219 VanDerWaalsContact CD2-CB 3.42Å; W5-H219 AromaticContact CD2-CG 3.59Å; W5-H219 AromaticContact CD2-ND1 3.54Å; W5-H219 AromaticContact CE2-CE1 3.77Å; W5-H219 AromaticContact CE2-CG 3.75Å; W5-H219 AromaticContact CE2-ND1 3.24Å; W5-H219 HydrophobicContact CE3-CB 3.26Å; W5-H219 AromaticContact CE3-CG 3.54Å; W5-H219 AromaticContact CE3-ND1 3.95Å; W5-H219 HydrophobicContact CG-CB 3.82Å; W5-H219 HydrophobicContact CH2-CB 4.45Å; W5-H219 AromaticContact CH2-CD2 3.83Å; W5-H219 AromaticContact CH2-CE1 3.84Å; W5-H219 AromaticContact CH2-CG 3.82Å; W5-H219 AromaticContact CH2-ND1 3.84Å; W5-H219 AromaticContact CH2-NE2 3.89Å; W5-H219 AromaticContact CZ2-CE1 3.48Å; W5-H219 VanDerWaalsContact CZ2-CE1 3.48Å; W5-H219 WeakPolarHBondContact CZ2-CE1 3.47Å; W5-H219 AromaticContact CZ2-CG 3.87Å; W5-H219 AromaticContact CZ2-ND1 3.42Å; W5-H219 WeakPolarHBondContact CZ2-ND1 3.39Å; W5-H219 AromaticContact CZ2-NE2 3.99Å; W5-H219 HydrophobicContact CZ3-CB 3.83Å; W5-H219 AromaticContact CZ3-CD2 3.83Å; W5-H219 AromaticContact CZ3-CG 3.66Å; W5-H219 PolarHBondContact N-O 3.47Å; W5-H219 AromaticContact NE1-ND1 3.65Å; W5-M221 HydrophobicContact CB-CB 4.08Å; W5-M221 HydrophobicContact CB-SD 4.25Å; W5-M221 HydrophobicContact CE3-SD 4.45Å | ||
| 6 | S | 95.4 | Very high | 93.6 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.4 | -177.3 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | D4 K9 | D4-S6 WeakPolarHBondContact OD1-CB 3.42Å; D4-S6 PolarHBondContact OD1-N 3.39Å; D4-S6 PolarHBondContact OD1-OG 2.98Å; S6-K9 WeakPolarHBondContact O-CE 3.49Å; S6-K9 PolarHBondContact O-NZ 3.25Å |
| 7 | N | 95.9 | Very high | 93.7 | Very high | 93 Ų | 93 | 44.9 Ų | 44.9 | 50% | 0.497 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -8.4 | 176.8 | 69.2 | -29.5 | 0 | 0 | 0 | 114.3 | W5 K9 T165 | W5-N7 PolarHBondContact O-N 3.13Å; N7-K9 PolarHBondContact O-N 3.48Å; N7-T165 PolarHBondContact O-OG1 2.72Å |
| 8 | I | 97.6 | Very high | 94 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -74.9 | 112.5 | 174.5 | -53.8 | -171.4 | 0 | 0 | 0 | 107.8 | W5 C10 P166 M168 V185 M221 | W5-I8 HydrophobicContact CB-CD1 3.8Å; W5-I8 HydrophobicContact CB-CG1 4.12Å; W5-I8 HydrophobicContact CD2-CD1 4.48Å; W5-I8 HydrophobicContact CG-CD1 3.86Å; W5-I8 WeakPolarHBondContact O-CB 3.3Å; W5-I8 WeakPolarHBondContact O-CG1 3.48Å; W5-I8 PolarHBondContact O-N 2.99Å; I8-C10 WeakPolarHBondContact CG2-O 3.41Å; I8-P166 HydrophobicContact CG1-CB 4.02Å; I8-P166 WeakPolarHBondContact CG2-O 3.36Å; I8-M168 HydrophobicContact CD1-CB 4.48Å; I8-M168 HydrophobicContact CD1-CE 3.93Å; I8-M168 HydrophobicContact CG2-CB 3.95Å; I8-V185 HydrophobicContact CD1-CG2 3.92Å; I8-M221 HydrophobicContact CB-CE 3.93Å; I8-M221 HydrophobicContact CB-SD 4.17Å; I8-M221 HydrophobicContact CG2-CE 3.57Å; I8-M221 HydrophobicContact CG2-SD 4.29Å | ||
| 9 | K | 97.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 40.3 Ų | 40.3 | 38% | 0.378 | 21% | 0.212 | S | C | . | . | trans | -113.3 | 8.8 | 179.6 | -60.1 | -59.4 | -179.2 | -170.9 | 0 | 113.7 | S6 N7 I97 D98 T165 | S6-K9 WeakPolarHBondContact O-CE 3.49Å; S6-K9 PolarHBondContact O-NZ 3.25Å; N7-K9 PolarHBondContact O-N 3.48Å; K9-I97 HydrophobicContact CD-CG1 4.4Å; K9-D98 PolarHBondContact O-N 2.81Å; K9-T165 HydrophobicContact CB-CG2 4.15Å; K9-T165 PolarHBondContact N-OG1 3.47Å | ||
| 10 | C | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 127.1 | 176.6 | 177 | 0 | 0 | 0 | 0 | 110.6 | I8 D98 Y100 L163 T165 V167 M168 | I8-C10 WeakPolarHBondContact CG2-O 3.41Å; C10-D98 WeakPolarHBondContact CA-O 3.45Å; C10-Y100 WeakPolarHBondContact SG-CD2 3.3Å; C10-L163 HydrophobicContact CB-CD1 3.89Å; C10-T165 HydrophobicContact CB-CG2 4Å; C10-V167 HydrophobicContact CB-CG2 4.01Å; C10-V167 WeakPolarHBondContact O-CA 3.37Å; C10-M168 PolarHBondContact O-N 3.35Å |
| 11 | V | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.3 | 172.5 | 173.2 | 0 | 0 | 0 | 0 | 108.9 | L13 F92 I97 D98 V99 Y100 M168 I170 M221 | V11-L13 HydrophobicContact CG1-CD2 3.54Å; V11-L13 HydrophobicContact CG1-CG 4.02Å; V11-F92 HydrophobicContact CG1-CE2 4.07Å; V11-F92 HydrophobicContact CG1-CZ 4.12Å; V11-F92 HydrophobicContact CG2-CD1 4.12Å; V11-F92 HydrophobicContact CG2-CE1 3.83Å; V11-F92 HydrophobicContact CG2-CZ 4.03Å; V11-I97 HydrophobicContact CB-CG2 4.27Å; V11-I97 HydrophobicContact CG2-CG2 3.65Å; V11-D98 PolarHBondContact N-O 3.38Å; V11-V99 WeakPolarHBondContact O-CA 3.43Å; V11-Y100 PolarHBondContact O-N 3.18Å; V11-M168 WeakPolarHBondContact CA-O 3.5Å; V11-M168 HydrophobicContact CG2-CB 4.26Å; V11-M168 HydrophobicContact CG2-SD 4.48Å; V11-I170 HydrophobicContact CG1-CD1 3.88Å; V11-I170 HydrophobicContact CG1-CG1 4.25Å; V11-M221 HydrophobicContact CG2-CE 3.28Å |
| 12 | C | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.5 | 167 | -66 | 0 | 0 | 0 | 0 | 108.8 | Y100 V102 L159 V167 M168 M169 I170 | C12-Y100 WeakPolarHBondContact CA-O 3.17Å; C12-V102 HydrophobicContact CB-CG2 3.84Å; C12-L159 WeakPolarHBondContact SG-CD1 3.32Å; C12-V167 HydrophobicContact CB-CG1 4.47Å; C12-M168 PolarHBondContact N-O 3.41Å; C12-M169 HydrophobicContact CB-SD 3.52Å; C12-M169 VanDerWaalsContact CB-SD 3.52Å; C12-I170 PolarHBondContact O-N 2.81Å |
| 13 | L | 98.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.3 | 173 | -57.5 | 179.5 | 0 | 0 | 0 | 109.2 | V11 V19 V89 V99 Y100 L101 V102 I170 | V11-L13 HydrophobicContact CG1-CD2 3.54Å; V11-L13 HydrophobicContact CG1-CG 4.02Å; L13-V19 HydrophobicContact CB-CG2 3.78Å; L13-V19 HydrophobicContact CD1-CG2 3.83Å; L13-V19 HydrophobicContact CG-CG2 4.4Å; L13-V89 HydrophobicContact CD1-CG2 3.96Å; L13-V99 HydrophobicContact CD1-CG1 3.71Å; L13-V99 HydrophobicContact CG-CG1 4.12Å; L13-Y100 PolarHBondContact N-O 3.11Å; L13-L101 HydrophobicContact CB-CD2 4.08Å; L13-L101 WeakPolarHBondContact O-CA 3.43Å; L13-V102 PolarHBondContact O-N 3.25Å; L13-I170 HydrophobicContact CD2-CB 3.79Å; L13-I170 HydrophobicContact CD2-CD1 3.86Å; L13-I170 HydrophobicContact CD2-CG1 4.15Å; L13-I170 HydrophobicContact CD2-CG2 4.39Å |
| 14 | D | 98 | Very high | 96.5 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -65 | 161.4 | 157.2 | -179.7 | 39.4 | 0 | 0 | 0 | 111.1 | T18 V19 K152 M169 I170 D176 | D14-T18 HydrophobicContact CB-CG2 4.01Å; D14-T18 WeakPolarHBondContact O-CB 3.42Å; D14-T18 WeakPolarHBondContact O-CG2 3.2Å; D14-T18 PolarHBondContact OD2-OG1 3.15Å; D14-V19 WeakPolarHBondContact O-CG2 3.32Å; D14-V19 PolarHBondContact O-N 3.05Å; D14-K152 IonicContact OD1-NZ 3.78Å; D14-K152 PolarHBondContact OD1-NZ 3.16Å; D14-K152 IonicContact OD2-NZ 3.31Å; D14-M169 HydrophobicContact CB-CE 4.24Å; D14-I170 PolarHBondContact N-O 3.25Å; D14-D176 WeakPolarHBondContact CB-OD1 3.4Å |
| 15 | V | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -108.3 | -68.7 | -174.7 | 180 | 0 | 0 | 0 | 0 | 110.8 | T18 V19 C20 L101 V110 V113 | V15-T18 PolarHBondContact O-N 2.93Å; V15-T18 VanDerWaalsContact O-N 3.14Å; V15-V19 PolarHBondContact O-N 2.91Å; V15-C20 PolarHBondContact O-N 3.18Å; V15-L101 HydrophobicContact CG2-CB 3.97Å; V15-L101 HydrophobicContact CG2-CD1 4.31Å; V15-L101 HydrophobicContact CG2-CD2 4.36Å; V15-L101 HydrophobicContact CG2-CG 4.44Å; V15-V110 HydrophobicContact CB-CG2 4.47Å; V15-V110 HydrophobicContact CG1-CG2 4.33Å; V15-V110 HydrophobicContact CG2-CG1 3.71Å; V15-V110 HydrophobicContact CG2-CG2 4.21Å; V15-V113 HydrophobicContact CG1-CG1 4.44Å; V15-V113 HydrophobicContact CG1-CG2 4.04Å |
| 16 | D | 95.2 | Very high | 96.2 | Very high | 21 Ų | 21 | 26.5 Ų | 26.5 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -62.9 | 136 | -176.8 | -60 | -59.7 | 0 | 0 | 0 | 109.9 | T18 D22 E23 G24 S103 | D16-T18 PolarHBondContact O-N 2.94Å; D16-D22 WeakPolarHBondContact CA-O 3.45Å; D16-E23 WeakPolarHBondContact CB-OE2 3.26Å; D16-G24 PolarHBondContact OD1-N 3.14Å; D16-S103 PolarHBondContact OD2-OG 3.01Å |
| 17 | S | 96.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | 56.4 | 5 | -174.6 | -62.9 | 0 | 0 | 0 | 0 | 116.5 | C20 D22 E23 D172 N192 | S17-C20 CarbonylContact C-O 3.59Å; S17-C20 VanDerWaalsContact CA-O 3.3Å; S17-C20 WeakPolarHBondContact CA-O 3.45Å; S17-C20 PolarHBondContact N-O 2.99Å; S17-D22 PolarHBondContact N-O 2.94Å; S17-E23 PolarHBondContact OG-OE1 3.01Å; S17-D172 WeakPolarHBondContact CB-OD2 3.48Å; S17-N192 VanDerWaalsContact C-ND2 3.33Å; S17-N192 PolarHBondContact O-ND2 2.97Å |
| 18 | T | 98.2 | Very high | 96 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -122.8 | -76 | -177.1 | -62.1 | 0 | 0 | 0 | 0 | 111 | D14 V15 D16 C20 T82 D172 F189 | D14-T18 HydrophobicContact CB-CG2 4.01Å; D14-T18 WeakPolarHBondContact O-CB 3.42Å; D14-T18 WeakPolarHBondContact O-CG2 3.2Å; D14-T18 PolarHBondContact OD2-OG1 3.15Å; V15-T18 PolarHBondContact O-N 2.93Å; V15-T18 VanDerWaalsContact O-N 3.14Å; D16-T18 PolarHBondContact O-N 2.94Å; T18-C20 PolarHBondContact N-O 2.99Å; T18-T82 WeakPolarHBondContact O-CB 3.31Å; T18-T82 PolarHBondContact O-OG1 2.92Å; T18-D172 PolarHBondContact OG1-N 2.97Å; T18-F189 HydrophobicContact CG2-CD1 3.96Å |
| 19 | V | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -77 | -32.6 | 174.1 | 169 | 0 | 0 | 0 | 0 | 110.9 | L13 D14 V15 L81 T82 V85 L101 V113 L117 | L13-V19 HydrophobicContact CB-CG2 3.78Å; L13-V19 HydrophobicContact CD1-CG2 3.83Å; L13-V19 HydrophobicContact CG-CG2 4.4Å; D14-V19 WeakPolarHBondContact O-CG2 3.32Å; D14-V19 PolarHBondContact O-N 3.05Å; V15-V19 PolarHBondContact O-N 2.91Å; V19-L81 HydrophobicContact CG1-CD2 4.06Å; V19-T82 WeakPolarHBondContact O-CB 3.33Å; V19-T82 PolarHBondContact O-N 3.06Å; V19-T82 PolarHBondContact O-OG1 2.74Å; V19-V85 HydrophobicContact CB-CG2 4.43Å; V19-V85 HydrophobicContact CG1-CG1 4.27Å; V19-V85 HydrophobicContact CG1-CG2 4.28Å; V19-V85 HydrophobicContact CG2-CG2 4.15Å; V19-L101 HydrophobicContact CG2-CD2 4.25Å; V19-V113 HydrophobicContact CG1-CG1 3.51Å; V19-L117 HydrophobicContact CG1-CD1 3.47Å; V19-L117 VanDerWaalsContact CG1-CD1 3.47Å |
| 20 | C | 98.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 3% | 0.027 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -105.9 | 150.1 | 174.5 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | V15 S17 T18 D22 R80 V113 N192 | V15-C20 PolarHBondContact O-N 3.18Å; S17-C20 CarbonylContact C-O 3.59Å; S17-C20 VanDerWaalsContact CA-O 3.3Å; S17-C20 WeakPolarHBondContact CA-O 3.45Å; S17-C20 PolarHBondContact N-O 2.99Å; T18-C20 PolarHBondContact N-O 2.99Å; C20-D22 WeakPolarHBondContact CB-OD1 3.35Å; C20-D22 PolarHBondContact O-N 3.01Å; C20-R80 CarbonylContact C-O 3.41Å; C20-R80 VanDerWaalsContact CA-O 3.24Å; C20-R80 WeakPolarHBondContact CA-O 3.39Å; C20-V113 WeakPolarHBondContact SG-CG2 3.26Å; C20-N192 PolarHBondContact O-ND2 3.47Å |
| 21 | E | 97 | Very high | 95.4 | Very high | 92 Ų | 92 | 25.5 Ų | 25.5 | 43% | 0.43 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -70.4 | -22.7 | 175.8 | -64.4 | -175.8 | 98.3 | 0 | 0 | 112.1 | R80 | E21-R80 HydrophobicContact CB-CB 4.26Å; E21-R80 HydrophobicContact CG-CB 4.49Å; E21-R80 PolarHBondContact N-O 2.6Å |
| 22 | D | 92.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 13% | 0.128 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -117.5 | 171 | -169.2 | 48.8 | 6.4 | 0 | 0 | 0 | 114.3 | D16 S17 C20 E27 R80 | D16-D22 WeakPolarHBondContact CA-O 3.45Å; S17-D22 PolarHBondContact N-O 2.94Å; C20-D22 WeakPolarHBondContact CB-OD1 3.35Å; C20-D22 PolarHBondContact O-N 3.01Å; D22-E27 HydrophobicContact CB-CG 4.02Å; D22-R80 IonicContact OD2-CZ 3.89Å; D22-R80 IonicContact OD2-NE 2.73Å; D22-R80 PolarHBondContact OD2-NE 3.26Å; D22-R80 IonicContact OD2-NH2 3.16Å; D22-R80 PolarHBondContact OD2-NH2 2.95Å |
| 23 | E | 90.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 30.8 Ų | 30.8 | 30% | 0.304 | 17% | 0.174 | S | C | . | . | trans | -102.4 | 106.9 | 174.6 | -66.7 | -80.5 | 174.9 | 0 | 0 | 107.7 | D16 S17 L25 D26 E27 R195 | D16-E23 WeakPolarHBondContact CB-OE2 3.26Å; S17-E23 PolarHBondContact OG-OE1 3.01Å; E23-L25 PolarHBondContact O-N 3.23Å; E23-L25 VanDerWaalsContact O-N 3.12Å; E23-D26 HydrophobicContact CB-CB 4.12Å; E23-D26 PolarHBondContact O-N 2.92Å; E23-E27 PolarHBondContact O-N 3.44Å; E23-E27 VanDerWaalsContact O-N 3.14Å; E23-R195 IonicContact OE1-NH2 3.95Å; E23-R195 PolarHBondContact OE1-NH2 3.3Å | ||
| 24 | G | 92.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 9% | 0.093 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -28.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D16 I28 | D16-G24 PolarHBondContact OD1-N 3.14Å; G24-I28 WeakPolarHBondContact O-CG1 3.5Å; G24-I28 PolarHBondContact O-N 3.32Å |
| 25 | L | 91.3 | Very high | 94.6 | Very high | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.9 | -36.1 | 175 | -168.3 | 66.7 | 0 | 0 | 0 | 112 | E23 I28 A29 L56 R59 L60 M63 L106 | E23-L25 PolarHBondContact O-N 3.23Å; E23-L25 VanDerWaalsContact O-N 3.12Å; L25-I28 PolarHBondContact O-N 2.91Å; L25-A29 PolarHBondContact O-N 3.24Å; L25-L56 HydrophobicContact CD2-CD1 3.81Å; L25-R59 HydrophobicContact CD2-CB 4.18Å; L25-L60 HydrophobicContact CD1-CD2 3.85Å; L25-M63 HydrophobicContact CD1-CE 3.48Å; L25-M63 VanDerWaalsContact CD1-CE 3.48Å; L25-M63 HydrophobicContact CD1-SD 3.74Å; L25-M63 HydrophobicContact CG-CE 3.65Å; L25-M63 VanDerWaalsContact O-CE 3.29Å; L25-M63 WeakPolarHBondContact O-CE 3.46Å; L25-L106 HydrophobicContact CD1-CD1 4.07Å |
| 26 | D | 92 | Very high | 94.4 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 35% | 0.348 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.7 | -35.1 | 179.1 | -70.8 | -13.1 | 0 | 0 | 0 | 111 | E23 A29 S30 | E23-D26 HydrophobicContact CB-CB 4.12Å; E23-D26 PolarHBondContact O-N 2.92Å; D26-A29 WeakPolarHBondContact O-CB 3.49Å; D26-A29 PolarHBondContact O-N 2.84Å; D26-S30 WeakPolarHBondContact O-CB 3.45Å; D26-S30 PolarHBondContact O-N 2.76Å |
| 27 | E | 93.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 172.6 | -67.7 | -62.2 | 140.8 | 0 | 0 | 111.8 | D22 E23 A29 S30 Y31 F73 R80 | D22-E27 HydrophobicContact CB-CG 4.02Å; E23-E27 PolarHBondContact O-N 3.44Å; E23-E27 VanDerWaalsContact O-N 3.14Å; E27-A29 VanDerWaalsContact C-N 3.33Å; E27-A29 PolarHBondContact O-N 3.43Å; E27-S30 WeakPolarHBondContact O-CB 3.47Å; E27-S30 PolarHBondContact O-N 2.96Å; E27-Y31 PolarHBondContact O-N 3.41Å; E27-F73 HydrophobicContact CB-CE2 4.19Å; E27-F73 HydrophobicContact CB-CZ 3.81Å; E27-R80 IonicContact OE1-CZ 2.96Å; E27-R80 IonicContact OE1-NH2 3.22Å; E27-R80 PolarHBondContact OE1-NH2 3.29Å; E27-R80 IonicContact OE2-NH2 2.76Å |
| 28 | I | 93.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 172.3 | -69.6 | 173.5 | 0 | 0 | 0 | 110.7 | G24 L25 S30 Y31 I32 M63 L65 L70 F73 L106 L109 | G24-I28 WeakPolarHBondContact O-CG1 3.5Å; G24-I28 PolarHBondContact O-N 3.32Å; L25-I28 PolarHBondContact O-N 2.91Å; I28-S30 VanDerWaalsContact C-N 3.29Å; I28-S30 PolarHBondContact O-N 3.12Å; I28-Y31 PolarHBondContact O-N 3.41Å; I28-I32 HydrophobicContact CG2-CD1 3.63Å; I28-I32 WeakPolarHBondContact O-CG1 3.4Å; I28-I32 PolarHBondContact O-N 2.91Å; I28-I32 VanDerWaalsContact O-N 3.08Å; I28-M63 HydrophobicContact CB-SD 4.48Å; I28-M63 HydrophobicContact CG2-CE 4.43Å; I28-M63 HydrophobicContact CG2-SD 3.71Å; I28-L65 HydrophobicContact CG2-CD2 3.81Å; I28-L70 HydrophobicContact CD1-CD1 3.85Å; I28-F73 HydrophobicContact CD1-CE1 4.46Å; I28-F73 HydrophobicContact CG1-CD1 3.85Å; I28-F73 HydrophobicContact CG1-CD2 4.39Å; I28-F73 HydrophobicContact CG1-CE1 3.68Å; I28-F73 HydrophobicContact CG1-CE2 4.2Å; I28-F73 HydrophobicContact CG1-CG 4.22Å; I28-F73 HydrophobicContact CG1-CZ 3.85Å; I28-L106 HydrophobicContact CD1-CD1 3.94Å; I28-L109 HydrophobicContact CD1-CD1 3.74Å; I28-L109 HydrophobicContact CD1-CD2 4.26Å; I28-L109 HydrophobicContact CD1-CG 4.27Å |
| 29 | A | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L25 D26 E27 I32 G33 V34 T35 V38 M63 | L25-A29 PolarHBondContact O-N 3.24Å; D26-A29 WeakPolarHBondContact O-CB 3.49Å; D26-A29 PolarHBondContact O-N 2.84Å; E27-A29 VanDerWaalsContact C-N 3.33Å; E27-A29 PolarHBondContact O-N 3.43Å; A29-I32 PolarHBondContact O-N 3.45Å; A29-G33 PolarHBondContact O-N 3.24Å; A29-V34 HydrophobicContact CB-CG2 4.26Å; A29-V34 PolarHBondContact O-N 2.95Å; A29-T35 PolarHBondContact O-N 3.08Å; A29-V38 HydrophobicContact CB-CB 3.89Å; A29-V38 HydrophobicContact CB-CG1 4.01Å; A29-V38 HydrophobicContact CB-CG2 3.77Å; A29-M63 HydrophobicContact CB-CE 3.74Å |
| 30 | S | 94.1 | Very high | 93.6 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 49% | 0.49 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 177 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | D26 E27 I28 I32 G33 T35 | D26-S30 WeakPolarHBondContact O-CB 3.45Å; D26-S30 PolarHBondContact O-N 2.76Å; E27-S30 WeakPolarHBondContact O-CB 3.47Å; E27-S30 PolarHBondContact O-N 2.96Å; I28-S30 VanDerWaalsContact C-N 3.29Å; I28-S30 PolarHBondContact O-N 3.12Å; S30-I32 VanDerWaalsContact C-N 3.26Å; S30-I32 PolarHBondContact O-N 3.42Å; S30-G33 PolarHBondContact O-N 2.94Å; S30-T35 VanDerWaalsContact CA-OG1 3.25Å; S30-T35 WeakPolarHBondContact CA-OG1 3.39Å; S30-T35 PolarHBondContact N-OG1 3.25Å |
| 31 | Y | 92.8 | Very high | 93.3 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 37% | 0.365 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.8 | -38.3 | 178.8 | 177.1 | -112.7 | 0 | 0 | 0 | 113.1 | E27 I28 G33 F73 H77 | E27-Y31 PolarHBondContact O-N 3.41Å; I28-Y31 PolarHBondContact O-N 3.41Å; Y31-G33 VanDerWaalsContact C-N 3.34Å; Y31-F73 HydrophobicContact CD1-CB 3.85Å; Y31-F73 AromaticContact CD1-CD2 3.72Å; Y31-F73 HydrophobicContact CD1-CD2 3.72Å; Y31-F73 HydrophobicContact CD1-CG 4.25Å; Y31-F73 HydrophobicContact CD2-CD2 4.33Å; Y31-F73 HydrophobicContact CE1-CB 3.89Å; Y31-F73 HydrophobicContact CE1-CD2 4.47Å; Y31-F73 AromaticContact CG-CD2 3.62Å; Y31-F73 HydrophobicContact CG-CD2 3.62Å; Y31-F73 HydrophobicContact CG-CE2 4.4Å; Y31-H77 AromaticContact CD2-CE1 3.04Å; Y31-H77 WeakPolarHBondContact CD2-CE1 3.48Å; Y31-H77 AromaticContact CD2-ND1 3.82Å; Y31-H77 AromaticContact CD2-NE2 3.46Å; Y31-H77 WeakPolarHBondContact CD2-NE2 3.37Å; Y31-H77 AromaticContact CE2-CE1 3.29Å; Y31-H77 WeakPolarHBondContact CE2-CE1 3.31Å; Y31-H77 AromaticContact CE2-ND1 3.99Å; Y31-H77 AromaticContact CG-CE1 3.92Å |
| 32 | I | 92.3 | Very high | 92.8 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.9 | -13 | -179.7 | -61.6 | 169 | 0 | 0 | 0 | 112 | I28 A29 S30 V34 M63 L65 | I28-I32 HydrophobicContact CG2-CD1 3.63Å; I28-I32 WeakPolarHBondContact O-CG1 3.4Å; I28-I32 PolarHBondContact O-N 2.91Å; I28-I32 VanDerWaalsContact O-N 3.08Å; A29-I32 PolarHBondContact O-N 3.45Å; S30-I32 VanDerWaalsContact C-N 3.26Å; S30-I32 PolarHBondContact O-N 3.42Å; I32-V34 HydrophobicContact CB-CG2 4.25Å; I32-V34 HydrophobicContact CG2-CG1 4.22Å; I32-V34 HydrophobicContact CG2-CG2 4.22Å; I32-M63 HydrophobicContact CD1-CB 4.08Å; I32-L65 HydrophobicContact CD1-CD2 3.36Å |
| 33 | G | 94.4 | Very high | 92.5 | Very high | 63 Ų | 63 | 57.2 Ų | 57.2 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 33.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A29 S30 Y31 | A29-G33 PolarHBondContact O-N 3.24Å; S30-G33 PolarHBondContact O-N 2.94Å; Y31-G33 VanDerWaalsContact C-N 3.34Å |
| 34 | V | 95.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 11% | 0.109 | 30% | 0.298 | C | S | . | . | trans | -120.8 | 15.4 | 179.8 | -64.7 | 0 | 0 | 0 | 0 | 113.9 | A29 I32 D36 R37 V38 I62 M63 | A29-V34 HydrophobicContact CB-CG2 4.26Å; A29-V34 PolarHBondContact O-N 2.95Å; I32-V34 HydrophobicContact CB-CG2 4.25Å; I32-V34 HydrophobicContact CG2-CG1 4.22Å; I32-V34 HydrophobicContact CG2-CG2 4.22Å; V34-D36 PolarHBondContact O-N 3.4Å; V34-R37 PolarHBondContact O-N 3.12Å; V34-V38 HydrophobicContact CG2-CG2 3.97Å; V34-V38 PolarHBondContact O-N 2.85Å; V34-I62 HydrophobicContact CB-CG2 3.87Å; V34-I62 HydrophobicContact CG1-CG2 4.21Å; V34-I62 HydrophobicContact CG2-CG2 4.12Å; V34-M63 HydrophobicContact CG2-CG 4.03Å | ||
| 35 | T | 95.2 | Very high | 91.9 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 37% | 0.368 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -46.5 | -52.5 | -176.9 | -48.6 | 0 | 0 | 0 | 0 | 113.3 | A29 S30 R37 V38 K39 | A29-T35 PolarHBondContact O-N 3.08Å; S30-T35 VanDerWaalsContact CA-OG1 3.25Å; S30-T35 WeakPolarHBondContact CA-OG1 3.39Å; S30-T35 PolarHBondContact N-OG1 3.25Å; T35-R37 VanDerWaalsContact C-N 3.27Å; T35-R37 PolarHBondContact O-N 3.24Å; T35-V38 PolarHBondContact O-N 3Å; T35-K39 VanDerWaalsContact O-CB 3.3Å; T35-K39 WeakPolarHBondContact O-CB 3.21Å; T35-K39 PolarHBondContact O-N 3.28Å |
| 36 | D | 95.2 | Very high | 91.1 | Very high | 138 Ų | 138 | 62.2 Ų | 62.2 | 74% | 0.738 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.1 | -37.5 | -176.1 | -66.1 | -21.8 | 0 | 0 | 0 | 112.6 | V34 K40 | V34-D36 PolarHBondContact O-N 3.4Å; D36-K40 PolarHBondContact O-N 2.98Å; D36-K40 VanDerWaalsContact O-N 3.15Å |
| 37 | R | 94.1 | Very high | 90.5 | Very high | 145 Ų | 145 | 64.7 Ų | 64.7 | 55% | 0.547 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.3 | -40.3 | 179.8 | -64.6 | 174.7 | 62.8 | -163.5 | -0.7 | 111.2 | V34 T35 I62 | V34-R37 PolarHBondContact O-N 3.12Å; T35-R37 VanDerWaalsContact C-N 3.27Å; T35-R37 PolarHBondContact O-N 3.24Å; R37-I62 HydrophobicContact CB-CD1 4.14Å; R37-I62 HydrophobicContact CB-CG2 3.91Å |
| 38 | V | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68 | -46.7 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | A29 V34 T35 K40 I41 T42 R59 I62 M63 | A29-V38 HydrophobicContact CB-CB 3.89Å; A29-V38 HydrophobicContact CB-CG1 4.01Å; A29-V38 HydrophobicContact CB-CG2 3.77Å; V34-V38 HydrophobicContact CG2-CG2 3.97Å; V34-V38 PolarHBondContact O-N 2.85Å; T35-V38 PolarHBondContact O-N 3Å; V38-K40 VanDerWaalsContact C-N 3.3Å; V38-K40 PolarHBondContact O-N 3.33Å; V38-I41 PolarHBondContact O-N 3.32Å; V38-I41 VanDerWaalsContact O-N 3.09Å; V38-T42 PolarHBondContact O-N 2.86Å; V38-T42 PolarHBondContact O-OG1 3.01Å; V38-R59 HydrophobicContact CG1-CB 4.26Å; V38-R59 HydrophobicContact CG1-CG 3.9Å; V38-I62 HydrophobicContact CG2-CG2 4.16Å; V38-M63 HydrophobicContact CB-CE 4.48Å; V38-M63 HydrophobicContact CG1-CE 4Å; V38-M63 HydrophobicContact CG2-CE 3.67Å; V38-M63 HydrophobicContact CG2-CG 4.33Å |
| 39 | K | 91.6 | Very high | 89.1 | Confident | 108 Ų | 108 | 72 Ų | 72 | 47% | 0.47 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.8 | -42.8 | 177.9 | -178 | 179.9 | -175.3 | -61.9 | 0 | 112 | T35 I41 T42 D43 | T35-K39 VanDerWaalsContact O-CB 3.3Å; T35-K39 WeakPolarHBondContact O-CB 3.21Å; T35-K39 PolarHBondContact O-N 3.28Å; K39-I41 VanDerWaalsContact C-N 3.29Å; K39-I41 PolarHBondContact O-N 3.19Å; K39-T42 WeakPolarHBondContact O-CB 3.33Å; K39-T42 PolarHBondContact O-N 3Å; K39-T42 VanDerWaalsContact O-N 3.15Å; K39-D43 IonicContact NZ-OD1 3.81Å; K39-D43 IonicContact NZ-OD2 3.9Å; K39-D43 PolarHBondContact NZ-OD2 3.45Å; K39-D43 VanDerWaalsContact O-CG 3.31Å; K39-D43 PolarHBondContact O-N 3.33Å |
| 40 | K | 92.4 | Very high | 88.5 | Confident | 133 Ų | 133 | 74.2 Ų | 74.2 | 58% | 0.578 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -55.2 | -45.3 | 176.4 | -175.7 | -178.3 | 173.7 | -172.2 | 0 | 112 | D36 V38 D43 E44 | D36-K40 PolarHBondContact O-N 2.98Å; D36-K40 VanDerWaalsContact O-N 3.15Å; V38-K40 VanDerWaalsContact C-N 3.3Å; V38-K40 PolarHBondContact O-N 3.33Å; K40-D43 PolarHBondContact O-N 2.67Å; K40-E44 WeakPolarHBondContact CE-OE1 3.23Å; K40-E44 WeakPolarHBondContact O-CG 3.47Å; K40-E44 PolarHBondContact O-N 2.87Å; K40-E44 VanDerWaalsContact O-N 3.08Å |
| 41 | I | 91.7 | Very high | 88 | Confident | 21 Ų | 21 | 74.8 Ų | 74.8 | 11% | 0.108 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 178.3 | -61 | -167.1 | 0 | 0 | 0 | 111.4 | V38 K39 D43 E44 A45 L50 A55 A58 R59 I62 | V38-I41 PolarHBondContact O-N 3.32Å; V38-I41 VanDerWaalsContact O-N 3.09Å; K39-I41 VanDerWaalsContact C-N 3.29Å; K39-I41 PolarHBondContact O-N 3.19Å; I41-D43 VanDerWaalsContact C-N 3.3Å; I41-D43 PolarHBondContact O-N 2.9Å; I41-E44 PolarHBondContact O-N 2.91Å; I41-A45 WeakPolarHBondContact O-CB 3.22Å; I41-A45 PolarHBondContact O-N 3.43Å; I41-L50 HydrophobicContact CG2-CD2 3.72Å; I41-A55 HydrophobicContact CG2-CB 3.99Å; I41-A58 HydrophobicContact CD1-CB 3.61Å; I41-A58 HydrophobicContact CG2-CB 4.2Å; I41-R59 HydrophobicContact CB-CG 3.86Å; I41-R59 HydrophobicContact CG2-CG 3.77Å; I41-I62 HydrophobicContact CD1-CD1 3.36Å; I41-I62 HydrophobicContact CG1-CD1 4.18Å |
| 42 | T | 85.9 | Confident | 87.2 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 17% | 0.166 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 173.8 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | V38 K39 A45 M46 R59 | V38-T42 PolarHBondContact O-N 2.86Å; V38-T42 PolarHBondContact O-OG1 3.01Å; K39-T42 WeakPolarHBondContact O-CB 3.33Å; K39-T42 PolarHBondContact O-N 3Å; K39-T42 VanDerWaalsContact O-N 3.15Å; T42-A45 PolarHBondContact O-N 3.38Å; T42-M46 HydrophobicContact CG2-CG 4.33Å; T42-M46 WeakPolarHBondContact O-CB 3.39Å; T42-M46 VanDerWaalsContact O-CG 3.29Å; T42-M46 WeakPolarHBondContact O-CG 3.31Å; T42-M46 PolarHBondContact O-N 2.89Å; T42-R59 VanDerWaalsContact OG1-CD 3.29Å; T42-R59 WeakPolarHBondContact OG1-CD 3.21Å; T42-R59 PolarHBondContact OG1-NH1 3.28Å |
| 43 | D | 85.5 | Confident | 86.6 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 178.6 | -68.1 | -23.1 | 0 | 0 | 0 | 111.3 | K39 K40 I41 A45 M46 N47 | K39-D43 IonicContact NZ-OD1 3.81Å; K39-D43 IonicContact NZ-OD2 3.9Å; K39-D43 PolarHBondContact NZ-OD2 3.45Å; K39-D43 VanDerWaalsContact O-CG 3.31Å; K39-D43 PolarHBondContact O-N 3.33Å; K40-D43 PolarHBondContact O-N 2.67Å; I41-D43 VanDerWaalsContact C-N 3.3Å; I41-D43 PolarHBondContact O-N 2.9Å; D43-A45 VanDerWaalsContact C-N 3.33Å; D43-A45 PolarHBondContact O-N 2.89Å; D43-M46 PolarHBondContact O-N 3.3Å; D43-N47 WeakPolarHBondContact O-CB 3.42Å; D43-N47 VanDerWaalsContact O-CG 3.24Å; D43-N47 PolarHBondContact O-N 3.23Å; D43-N47 PolarHBondContact O-ND2 3.36Å |
| 44 | E | 87.1 | Confident | 86.2 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 174.6 | -71.5 | 170.6 | -174.4 | 0 | 0 | 111.7 | K40 I41 N47 G48 E49 L50 | K40-E44 WeakPolarHBondContact CE-OE1 3.23Å; K40-E44 WeakPolarHBondContact O-CG 3.47Å; K40-E44 PolarHBondContact O-N 2.87Å; K40-E44 VanDerWaalsContact O-N 3.08Å; I41-E44 PolarHBondContact O-N 2.91Å; E44-N47 PolarHBondContact O-N 3.11Å; E44-G48 PolarHBondContact O-N 3.29Å; E44-E49 HydrophobicContact CB-CB 4.42Å; E44-E49 WeakPolarHBondContact O-CB 3.5Å; E44-E49 PolarHBondContact O-N 3.18Å; E44-L50 HydrophobicContact CB-CB 4.37Å; E44-L50 PolarHBondContact O-N 3.4Å |
| 45 | A | 84.4 | Confident | 85.8 | Confident | 9 Ų | 9 | 76 Ų | 76 | 7% | 0.074 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I41 T42 D43 N47 G48 L50 A55 | I41-A45 WeakPolarHBondContact O-CB 3.22Å; I41-A45 PolarHBondContact O-N 3.43Å; T42-A45 PolarHBondContact O-N 3.38Å; D43-A45 VanDerWaalsContact C-N 3.33Å; D43-A45 PolarHBondContact O-N 2.89Å; A45-N47 VanDerWaalsContact C-N 3.29Å; A45-N47 PolarHBondContact O-N 2.91Å; A45-G48 PolarHBondContact O-N 3.36Å; A45-L50 WeakPolarHBondContact CA-O 3.47Å; A45-A55 HydrophobicContact CB-CB 3.37Å |
| 46 | M | 74.2 | Confident | 85.5 | Confident | 129 Ų | 129 | 73.8 Ų | 73.8 | 64% | 0.635 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68.8 | -27.9 | 179.1 | -68.9 | -59.9 | 97.7 | 0 | 0 | 112.9 | T42 D43 G48 | T42-M46 HydrophobicContact CG2-CG 4.33Å; T42-M46 WeakPolarHBondContact O-CB 3.39Å; T42-M46 VanDerWaalsContact O-CG 3.29Å; T42-M46 WeakPolarHBondContact O-CG 3.31Å; T42-M46 PolarHBondContact O-N 2.89Å; D43-M46 PolarHBondContact O-N 3.3Å; M46-G48 PolarHBondContact O-N 3.15Å |
| 47 | N | 79 | Confident | 85.3 | Confident | 117 Ų | 117 | 70.5 Ų | 70.5 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4 | 172 | -69.6 | -25.8 | 0 | 0 | 0 | 113.3 | D43 E44 A45 E49 | D43-N47 WeakPolarHBondContact O-CB 3.42Å; D43-N47 VanDerWaalsContact O-CG 3.24Å; D43-N47 PolarHBondContact O-N 3.23Å; D43-N47 PolarHBondContact O-ND2 3.36Å; E44-N47 PolarHBondContact O-N 3.11Å; A45-N47 VanDerWaalsContact C-N 3.29Å; A45-N47 PolarHBondContact O-N 2.91Å; N47-E49 VanDerWaalsContact C-N 3.28Å; N47-E49 HydrophobicContact CB-CG 4.04Å |
| 48 | G | 77.1 | Confident | 85.2 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 14.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E44 A45 M46 | E44-G48 PolarHBondContact O-N 3.29Å; A45-G48 PolarHBondContact O-N 3.36Å; M46-G48 PolarHBondContact O-N 3.15Å |
| 49 | E | 81.4 | Confident | 85.1 | Confident | 144 Ų | 144 | 67 Ų | 67 | 67% | 0.673 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -80.7 | -26.4 | 177.7 | -58 | 177.8 | 174.4 | 0 | 0 | 111.5 | E44 N47 | E44-E49 HydrophobicContact CB-CB 4.42Å; E44-E49 WeakPolarHBondContact O-CB 3.5Å; E44-E49 PolarHBondContact O-N 3.18Å; N47-E49 VanDerWaalsContact C-N 3.28Å; N47-E49 HydrophobicContact CB-CG 4.04Å |
| 50 | L | 80.3 | Confident | 85.2 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -126.2 | 137.2 | 176.6 | -170.1 | 61.4 | 0 | 0 | 0 | 110.8 | I41 E44 A45 K54 A55 | I41-L50 HydrophobicContact CG2-CD2 3.72Å; E44-L50 HydrophobicContact CB-CB 4.37Å; E44-L50 PolarHBondContact O-N 3.4Å; A45-L50 WeakPolarHBondContact CA-O 3.47Å; L50-K54 HydrophobicContact CD1-CB 3.91Å; L50-K54 HydrophobicContact CG-CB 4.23Å; L50-A55 VanDerWaalsContact CD2-CA 3.5Å; L50-A55 HydrophobicContact CD2-CB 3.66Å; L50-A55 HydrophobicContact CG-CB 4.02Å |
| 51 | D | 84.2 | Confident | 85.2 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | trans | -59.7 | 139.5 | 171.3 | 175.2 | -97.7 | 0 | 0 | 0 | 110.6 | N53 K54 A55 | D51-N53 VanDerWaalsContact C-N 3.27Å; D51-N53 PolarHBondContact O-N 2.84Å; D51-N53 WeakPolarHBondContact OD1-CB 3.42Å; D51-N53 PolarHBondContact OD1-N 3.44Å; D51-K54 HydrophobicContact CB-CB 4.19Å; D51-K54 HydrophobicContact CB-CD 4.14Å; D51-K54 HydrophobicContact CB-CG 4.09Å; D51-K54 PolarHBondContact O-N 3.45Å; D51-K54 PolarHBondContact OD1-N 3.23Å; D51-A55 WeakPolarHBondContact O-CB 3.32Å; D51-A55 PolarHBondContact O-N 3.12Å | ||
| 52 | I | 76.8 | Confident | 85.3 | Confident | 74 Ų | 74 | 59.6 Ų | 59.6 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | -173.3 | -70.7 | 173 | 0 | 0 | 0 | 111.9 | A55 L56 | I52-A55 WeakPolarHBondContact O-CB 3.07Å; I52-A55 PolarHBondContact O-N 3.41Å; I52-L56 PolarHBondContact O-N 2.91Å |
| 53 | N | 79.5 | Confident | 85.6 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.5 | -44.5 | -178.1 | -57.6 | -16.1 | 0 | 0 | 0 | 109.9 | D51 A55 L56 E57 S147 | D51-N53 VanDerWaalsContact C-N 3.27Å; D51-N53 PolarHBondContact O-N 2.84Å; D51-N53 WeakPolarHBondContact OD1-CB 3.42Å; D51-N53 PolarHBondContact OD1-N 3.44Å; N53-A55 PolarHBondContact O-N 3.24Å; N53-L56 PolarHBondContact O-N 3.36Å; N53-L56 VanDerWaalsContact O-N 3.14Å; N53-E57 PolarHBondContact O-N 3.06Å; N53-S147 PolarHBondContact ND2-O 3.45Å; N53-S147 PolarHBondContact OD1-O 3.12Å |
| 54 | K | 85.5 | Confident | 85.7 | Confident | 133 Ų | 133 | 59.8 Ų | 59.8 | 58% | 0.578 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.5 | -36.7 | 173.6 | -65 | -173.4 | 179.7 | 179 | 0 | 111.8 | L50 D51 A58 | L50-K54 HydrophobicContact CD1-CB 3.91Å; L50-K54 HydrophobicContact CG-CB 4.23Å; D51-K54 HydrophobicContact CB-CB 4.19Å; D51-K54 HydrophobicContact CB-CD 4.14Å; D51-K54 HydrophobicContact CB-CG 4.09Å; D51-K54 PolarHBondContact O-N 3.45Å; D51-K54 PolarHBondContact OD1-N 3.23Å; K54-A58 WeakPolarHBondContact O-CB 3.48Å; K54-A58 PolarHBondContact O-N 3.05Å |
| 55 | A | 88.2 | Confident | 86 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I41 A45 L50 D51 I52 N53 R59 | I41-A55 HydrophobicContact CG2-CB 3.99Å; A45-A55 HydrophobicContact CB-CB 3.37Å; L50-A55 VanDerWaalsContact CD2-CA 3.5Å; L50-A55 HydrophobicContact CD2-CB 3.66Å; L50-A55 HydrophobicContact CG-CB 4.02Å; D51-A55 WeakPolarHBondContact O-CB 3.32Å; D51-A55 PolarHBondContact O-N 3.12Å; I52-A55 WeakPolarHBondContact O-CB 3.07Å; I52-A55 PolarHBondContact O-N 3.41Å; N53-A55 PolarHBondContact O-N 3.24Å; A55-R59 WeakPolarHBondContact O-CB 3.43Å; A55-R59 WeakPolarHBondContact O-CG 3.4Å; A55-R59 PolarHBondContact O-N 3.21Å; A55-R59 PolarHBondContact O-NE 3.34Å; A55-R59 VanDerWaalsContact O-NE 3.1Å |
| 56 | L | 89.2 | Confident | 86.4 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 173.9 | -178.5 | 60.4 | 0 | 0 | 0 | 111.2 | L25 I52 N53 A58 R59 L60 N127 L140 | L25-L56 HydrophobicContact CD2-CD1 3.81Å; I52-L56 PolarHBondContact O-N 2.91Å; N53-L56 PolarHBondContact O-N 3.36Å; N53-L56 VanDerWaalsContact O-N 3.14Å; L56-A58 VanDerWaalsContact C-N 3.32Å; L56-A58 PolarHBondContact O-N 3.45Å; L56-R59 PolarHBondContact O-N 2.94Å; L56-L60 HydrophobicContact CD1-CD1 4.1Å; L56-L60 HydrophobicContact CD1-CG 4.28Å; L56-L60 HydrophobicContact CG-CD1 3.96Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 3.01Å; L56-N127 HydrophobicContact CD2-CB 4.37Å; L56-N127 WeakPolarHBondContact CD2-ND2 3.45Å; L56-L140 HydrophobicContact CD2-CD1 3.66Å; L56-L140 HydrophobicContact CG-CD1 3.89Å |
| 57 | E | 89.9 | Confident | 87.3 | Confident | 69 Ų | 69 | 55.8 Ų | 55.8 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 177.2 | -72.1 | 172 | -149.7 | 0 | 0 | 112.6 | N53 L60 S61 L140 H142 | N53-E57 PolarHBondContact O-N 3.06Å; E57-L60 PolarHBondContact O-N 3.48Å; E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 2.93Å; E57-S61 PolarHBondContact O-OG 3.15Å; E57-L140 HydrophobicContact CG-CD1 3.86Å; E57-H142 IonicContact OE1-CE1 3.41Å; E57-H142 PolarHBondContact OE1-CE1 2.8Å; E57-H142 IonicContact OE1-NE2 3.1Å |
| 58 | A | 91.6 | Very high | 88.1 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | I41 K54 L56 S61 I62 | I41-A58 HydrophobicContact CD1-CB 3.61Å; I41-A58 HydrophobicContact CG2-CB 4.2Å; K54-A58 WeakPolarHBondContact O-CB 3.48Å; K54-A58 PolarHBondContact O-N 3.05Å; L56-A58 VanDerWaalsContact C-N 3.32Å; L56-A58 PolarHBondContact O-N 3.45Å; A58-S61 PolarHBondContact O-N 3.47Å; A58-I62 WeakPolarHBondContact O-CG1 3.33Å; A58-I62 PolarHBondContact O-N 3.01Å; A58-I62 VanDerWaalsContact O-N 3.15Å |
| 59 | R | 92.7 | Very high | 88.8 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 172.7 | -73.3 | 177.5 | -64.5 | 167.3 | 4.1 | 111.4 | L25 V38 I41 T42 A55 L56 S61 I62 M63 | L25-R59 HydrophobicContact CD2-CB 4.18Å; V38-R59 HydrophobicContact CG1-CB 4.26Å; V38-R59 HydrophobicContact CG1-CG 3.9Å; I41-R59 HydrophobicContact CB-CG 3.86Å; I41-R59 HydrophobicContact CG2-CG 3.77Å; T42-R59 VanDerWaalsContact OG1-CD 3.29Å; T42-R59 WeakPolarHBondContact OG1-CD 3.21Å; T42-R59 PolarHBondContact OG1-NH1 3.28Å; A55-R59 WeakPolarHBondContact O-CB 3.43Å; A55-R59 WeakPolarHBondContact O-CG 3.4Å; A55-R59 PolarHBondContact O-N 3.21Å; A55-R59 PolarHBondContact O-NE 3.34Å; A55-R59 VanDerWaalsContact O-NE 3.1Å; L56-R59 PolarHBondContact O-N 2.94Å; R59-S61 PolarHBondContact O-N 3.49Å; R59-I62 WeakPolarHBondContact O-CB 3.49Å; R59-I62 PolarHBondContact O-N 3.18Å; R59-M63 WeakPolarHBondContact O-CG 3.22Å; R59-M63 PolarHBondContact O-N 2.97Å |
| 60 | L | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 178.2 | -68.2 | 169.8 | 0 | 0 | 0 | 112.4 | L25 L56 E57 I62 M63 N64 L65 L106 L129 Y137 L140 | L25-L60 HydrophobicContact CD1-CD2 3.85Å; L56-L60 HydrophobicContact CD1-CD1 4.1Å; L56-L60 HydrophobicContact CD1-CG 4.28Å; L56-L60 HydrophobicContact CG-CD1 3.96Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 3.01Å; E57-L60 PolarHBondContact O-N 3.48Å; L60-I62 VanDerWaalsContact C-N 3.29Å; L60-I62 PolarHBondContact O-N 3.21Å; L60-M63 HydrophobicContact CD2-SD 4.32Å; L60-M63 PolarHBondContact O-N 2.95Å; L60-M63 VanDerWaalsContact O-N 3.17Å; L60-N64 PolarHBondContact O-N 3.33Å; L60-L65 HydrophobicContact CD2-CD1 4.06Å; L60-L106 HydrophobicContact CD1-CD2 4.33Å; L60-L106 HydrophobicContact CD2-CD1 3.87Å; L60-L106 HydrophobicContact CD2-CD2 4.11Å; L60-L129 HydrophobicContact CD1-CD2 3.79Å; L60-L129 HydrophobicContact CD2-CD2 3.99Å; L60-L129 HydrophobicContact CG-CD2 4.49Å; L60-Y137 HydrophobicContact CB-CE1 3.86Å; L60-Y137 HydrophobicContact CB-CE2 4.19Å; L60-Y137 HydrophobicContact CD1-CE2 4.13Å; L60-L140 HydrophobicContact CD1-CD1 4.04Å; L60-L140 HydrophobicContact CD1-CD2 3.63Å; L60-L140 HydrophobicContact CD1-CG 3.87Å |
| 61 | S | 92.2 | Very high | 90 | Very high | 76 Ų | 76 | 51 Ų | 51 | 53% | 0.531 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 175.7 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | E57 A58 R59 N64 | E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 2.93Å; E57-S61 PolarHBondContact O-OG 3.15Å; A58-S61 PolarHBondContact O-N 3.47Å; R59-S61 PolarHBondContact O-N 3.49Å; S61-N64 PolarHBondContact O-N 3.34Å |
| 62 | I | 93 | Very high | 90.5 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 175.3 | -74.2 | 168.7 | 0 | 0 | 0 | 111.9 | V34 R37 V38 I41 A58 R59 L60 N64 | V34-I62 HydrophobicContact CB-CG2 3.87Å; V34-I62 HydrophobicContact CG1-CG2 4.21Å; V34-I62 HydrophobicContact CG2-CG2 4.12Å; R37-I62 HydrophobicContact CB-CD1 4.14Å; R37-I62 HydrophobicContact CB-CG2 3.91Å; V38-I62 HydrophobicContact CG2-CG2 4.16Å; I41-I62 HydrophobicContact CD1-CD1 3.36Å; I41-I62 HydrophobicContact CG1-CD1 4.18Å; A58-I62 WeakPolarHBondContact O-CG1 3.33Å; A58-I62 PolarHBondContact O-N 3.01Å; A58-I62 VanDerWaalsContact O-N 3.15Å; R59-I62 WeakPolarHBondContact O-CB 3.49Å; R59-I62 PolarHBondContact O-N 3.18Å; L60-I62 VanDerWaalsContact C-N 3.29Å; L60-I62 PolarHBondContact O-N 3.21Å; I62-N64 VanDerWaalsContact C-N 3.25Å; I62-N64 PolarHBondContact O-N 3.47Å |
| 63 | M | 92.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.2 | -26.4 | -177.7 | -66.4 | 171.3 | -179.5 | 0 | 0 | 112.6 | L25 I28 A29 I32 V34 V38 R59 L60 L65 | L25-M63 HydrophobicContact CD1-CE 3.48Å; L25-M63 VanDerWaalsContact CD1-CE 3.48Å; L25-M63 HydrophobicContact CD1-SD 3.74Å; L25-M63 HydrophobicContact CG-CE 3.65Å; L25-M63 VanDerWaalsContact O-CE 3.29Å; L25-M63 WeakPolarHBondContact O-CE 3.46Å; I28-M63 HydrophobicContact CB-SD 4.48Å; I28-M63 HydrophobicContact CG2-CE 4.43Å; I28-M63 HydrophobicContact CG2-SD 3.71Å; A29-M63 HydrophobicContact CB-CE 3.74Å; I32-M63 HydrophobicContact CD1-CB 4.08Å; V34-M63 HydrophobicContact CG2-CG 4.03Å; V38-M63 HydrophobicContact CB-CE 4.48Å; V38-M63 HydrophobicContact CG1-CE 4Å; V38-M63 HydrophobicContact CG2-CE 3.67Å; V38-M63 HydrophobicContact CG2-CG 4.33Å; R59-M63 WeakPolarHBondContact O-CG 3.22Å; R59-M63 PolarHBondContact O-N 2.97Å; L60-M63 HydrophobicContact CD2-SD 4.32Å; L60-M63 PolarHBondContact O-N 2.95Å; L60-M63 VanDerWaalsContact O-N 3.17Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 HydrophobicContact CB-CD1 4.48Å; M63-L65 HydrophobicContact CB-CD2 4.13Å; M63-L65 HydrophobicContact CB-CG 3.85Å; M63-L65 PolarHBondContact O-N 3.42Å; M63-L65 HydrophobicContact SD-CD1 4.42Å |
| 64 | N | 88.7 | Confident | 92 | Very high | 96 Ų | 96 | 46.1 Ų | 46.1 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 57.1 | -179 | -171.5 | 25.6 | 0 | 0 | 0 | 111.2 | L60 S61 I62 K69 | L60-N64 PolarHBondContact O-N 3.33Å; S61-N64 PolarHBondContact O-N 3.34Å; I62-N64 VanDerWaalsContact C-N 3.25Å; I62-N64 PolarHBondContact O-N 3.47Å; N64-K69 PolarHBondContact O-NZ 3.43Å |
| 65 | L | 92.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | trans | -68.5 | 148.4 | -176.2 | -67.5 | 174.4 | 0 | 0 | 0 | 110.8 | I28 I32 L60 M63 L129 Y137 | I28-L65 HydrophobicContact CG2-CD2 3.81Å; I32-L65 HydrophobicContact CD1-CD2 3.36Å; L60-L65 HydrophobicContact CD2-CD1 4.06Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 HydrophobicContact CB-CD1 4.48Å; M63-L65 HydrophobicContact CB-CD2 4.13Å; M63-L65 HydrophobicContact CB-CG 3.85Å; M63-L65 PolarHBondContact O-N 3.42Å; M63-L65 HydrophobicContact SD-CD1 4.42Å; L65-L129 HydrophobicContact CD1-CD1 4.15Å; L65-Y137 VanDerWaalsContact O-CB 3.25Å; L65-Y137 WeakPolarHBondContact O-CB 3.23Å; L65-Y137 PolarHBondContact O-N 2.94Å | ||
| 66 | N | 94.1 | Very high | 92.5 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -133.7 | 163.5 | 161.2 | 64.3 | 41 | 0 | 0 | 0 | 108.5 | K68 K69 L70 G135 | N66-K68 PolarHBondContact O-N 3.34Å; N66-K68 PolarHBondContact OD1-N 3.19Å; N66-K69 PolarHBondContact O-N 2.93Å; N66-K69 VanDerWaalsContact O-N 3.17Å; N66-K69 WeakPolarHBondContact OD1-CB 3.37Å; N66-K69 WeakPolarHBondContact OD1-CG 3.22Å; N66-K69 PolarHBondContact OD1-N 2.91Å; N66-L70 PolarHBondContact O-N 3.47Å; N66-G135 CarbonylContact C-O 3.49Å; N66-G135 WeakPolarHBondContact CA-O 3.22Å; N66-G135 WeakPolarHBondContact CB-O 3.39Å |
| 67 | V | 93.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -52.2 | -45.3 | -177.8 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | K69 L70 T71 F131 G135 | V67-K69 PolarHBondContact O-N 3.03Å; V67-L70 PolarHBondContact O-N 2.81Å; V67-T71 PolarHBondContact O-N 2.89Å; V67-T71 PolarHBondContact O-OG1 3.41Å; V67-T71 VanDerWaalsContact O-OG1 3.05Å; V67-F131 HydrophobicContact CG2-CB 4.25Å; V67-F131 HydrophobicContact CG2-CD1 3.78Å; V67-F131 HydrophobicContact CG2-CD2 3.93Å; V67-F131 HydrophobicContact CG2-CE1 4.04Å; V67-F131 HydrophobicContact CG2-CE2 4.17Å; V67-F131 HydrophobicContact CG2-CG 3.71Å; V67-F131 HydrophobicContact CG2-CZ 4.22Å; V67-G135 PolarHBondContact N-O 3.14Å |
| 68 | K | 94 | Very high | 92.6 | Very high | 133 Ų | 133 | 55 Ų | 55 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.9 | -49.7 | -179.9 | -170.6 | -170.9 | -176.7 | -49.8 | 0 | 112.4 | N66 L70 T71 D72 | N66-K68 PolarHBondContact O-N 3.34Å; N66-K68 PolarHBondContact OD1-N 3.19Å; K68-L70 VanDerWaalsContact C-N 3.27Å; K68-L70 PolarHBondContact O-N 2.81Å; K68-T71 PolarHBondContact O-N 2.91Å; K68-D72 IonicContact NZ-OD1 2.92Å; K68-D72 PolarHBondContact NZ-OD1 3.24Å; K68-D72 IonicContact NZ-OD2 2.61Å; K68-D72 PolarHBondContact NZ-OD2 3.14Å; K68-D72 WeakPolarHBondContact O-CB 3.42Å; K68-D72 PolarHBondContact O-N 2.59Å |
| 69 | K | 93.3 | Very high | 92.6 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 178.6 | -76.7 | 177.7 | -177.8 | 179.3 | 0 | 111.6 | N64 N66 V67 F73 | N64-K69 PolarHBondContact O-NZ 3.43Å; N66-K69 PolarHBondContact O-N 2.93Å; N66-K69 VanDerWaalsContact O-N 3.17Å; N66-K69 WeakPolarHBondContact OD1-CB 3.37Å; N66-K69 WeakPolarHBondContact OD1-CG 3.22Å; N66-K69 PolarHBondContact OD1-N 2.91Å; V67-K69 PolarHBondContact O-N 3.03Å; K69-F73 WeakPolarHBondContact O-CB 3.37Å; K69-F73 PolarHBondContact O-N 2.6Å |
| 70 | L | 93.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.8 | -43 | 179.5 | -173.9 | 59.6 | 0 | 0 | 0 | 111.3 | I28 N66 V67 K68 F73 L74 P108 L129 F131 | I28-L70 HydrophobicContact CD1-CD1 3.85Å; N66-L70 PolarHBondContact O-N 3.47Å; V67-L70 PolarHBondContact O-N 2.81Å; K68-L70 VanDerWaalsContact C-N 3.27Å; K68-L70 PolarHBondContact O-N 2.81Å; L70-F73 WeakPolarHBondContact O-CB 3.47Å; L70-F73 PolarHBondContact O-N 2.84Å; L70-L74 HydrophobicContact CG-CD1 4.24Å; L70-L74 VanDerWaalsContact O-CG 3.24Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 2.88Å; L70-P108 HydrophobicContact CD2-CB 3.93Å; L70-P108 HydrophobicContact CD2-CG 3.78Å; L70-P108 HydrophobicContact CG-CB 4.47Å; L70-L129 HydrophobicContact CD2-CD1 3.91Å; L70-F131 HydrophobicContact CD2-CZ 4.23Å |
| 71 | T | 92.9 | Very high | 93 | Very high | 62 Ų | 62 | 60 Ų | 60 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 172.9 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | V67 K68 F73 L74 D75 | V67-T71 PolarHBondContact O-N 2.89Å; V67-T71 PolarHBondContact O-OG1 3.41Å; V67-T71 VanDerWaalsContact O-OG1 3.05Å; K68-T71 PolarHBondContact O-N 2.91Å; T71-F73 PolarHBondContact O-N 2.85Å; T71-L74 PolarHBondContact O-N 3.46Å; T71-L74 VanDerWaalsContact O-N 3.13Å; T71-D75 WeakPolarHBondContact O-CB 3.36Å; T71-D75 PolarHBondContact O-N 3.26Å |
| 72 | D | 94.7 | Very high | 93.3 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57 | -40.3 | 176.7 | -67.7 | -19 | 0 | 0 | 0 | 110.9 | K68 N76 | K68-D72 IonicContact NZ-OD1 2.92Å; K68-D72 PolarHBondContact NZ-OD1 3.24Å; K68-D72 IonicContact NZ-OD2 2.61Å; K68-D72 PolarHBondContact NZ-OD2 3.14Å; K68-D72 WeakPolarHBondContact O-CB 3.42Å; K68-D72 PolarHBondContact O-N 2.59Å; D72-N76 WeakPolarHBondContact O-CB 3.43Å; D72-N76 PolarHBondContact O-N 2.76Å; D72-N76 PolarHBondContact O-ND2 2.88Å |
| 73 | F | 94.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 4% | 0.044 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -55.5 | 173.8 | 171.1 | -96 | 0 | 0 | 0 | 111 | E27 I28 Y31 K69 L70 T71 D75 N76 H77 L109 | E27-F73 HydrophobicContact CB-CE2 4.19Å; E27-F73 HydrophobicContact CB-CZ 3.81Å; I28-F73 HydrophobicContact CD1-CE1 4.46Å; I28-F73 HydrophobicContact CG1-CD1 3.85Å; I28-F73 HydrophobicContact CG1-CD2 4.39Å; I28-F73 HydrophobicContact CG1-CE1 3.68Å; I28-F73 HydrophobicContact CG1-CE2 4.2Å; I28-F73 HydrophobicContact CG1-CG 4.22Å; I28-F73 HydrophobicContact CG1-CZ 3.85Å; Y31-F73 HydrophobicContact CD1-CB 3.85Å; Y31-F73 AromaticContact CD1-CD2 3.72Å; Y31-F73 HydrophobicContact CD1-CD2 3.72Å; Y31-F73 HydrophobicContact CD1-CG 4.25Å; Y31-F73 HydrophobicContact CD2-CD2 4.33Å; Y31-F73 HydrophobicContact CE1-CB 3.89Å; Y31-F73 HydrophobicContact CE1-CD2 4.47Å; Y31-F73 AromaticContact CG-CD2 3.62Å; Y31-F73 HydrophobicContact CG-CD2 3.62Å; Y31-F73 HydrophobicContact CG-CE2 4.4Å; K69-F73 WeakPolarHBondContact O-CB 3.37Å; K69-F73 PolarHBondContact O-N 2.6Å; L70-F73 WeakPolarHBondContact O-CB 3.47Å; L70-F73 PolarHBondContact O-N 2.84Å; T71-F73 PolarHBondContact O-N 2.85Å; F73-D75 VanDerWaalsContact C-N 3.26Å; F73-D75 PolarHBondContact O-N 3.13Å; F73-N76 PolarHBondContact O-N 3.01Å; F73-N76 VanDerWaalsContact O-N 3.1Å; F73-H77 HydrophobicContact CD2-CB 3.95Å; F73-H77 AromaticContact CD2-CG 3.62Å; F73-H77 AromaticContact CD2-ND1 3.67Å; F73-H77 HydrophobicContact CE1-CB 4.3Å; F73-H77 HydrophobicContact CE2-CB 3.63Å; F73-H77 AromaticContact CE2-CD2 3.82Å; F73-H77 AromaticContact CE2-CG 3.49Å; F73-H77 VanDerWaalsContact CE2-CG 3.49Å; F73-H77 HydrophobicContact CG-CB 4.46Å; F73-H77 HydrophobicContact CZ-CB 3.82Å; F73-H77 VanDerWaalsContact O-CB 3.29Å; F73-H77 WeakPolarHBondContact O-CB 3.39Å; F73-H77 PolarHBondContact O-N 2.92Å; F73-H77 PolarHBondContact O-ND1 3.27Å; F73-L109 HydrophobicContact CD1-CD2 4.17Å; F73-L109 HydrophobicContact CE1-CD2 3.53Å |
| 74 | L | 93 | Very high | 93.8 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 20% | 0.199 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.7 | -35.8 | -177.5 | -70.5 | 167.8 | 0 | 0 | 0 | 112.9 | L70 T71 P108 L109 | L70-L74 HydrophobicContact CG-CD1 4.24Å; L70-L74 VanDerWaalsContact O-CG 3.24Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 2.88Å; T71-L74 PolarHBondContact O-N 3.46Å; T71-L74 VanDerWaalsContact O-N 3.13Å; L74-P108 HydrophobicContact CD1-CB 4.02Å; L74-L109 HydrophobicContact CD2-CD2 3.68Å |
| 75 | D | 92.8 | Very high | 94.3 | Very high | 120 Ų | 120 | 56.8 Ų | 56.8 | 64% | 0.642 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -73.4 | -28.4 | 179.7 | -71.8 | -16.8 | 0 | 0 | 0 | 112.7 | T71 F73 | T71-D75 WeakPolarHBondContact O-CB 3.36Å; T71-D75 PolarHBondContact O-N 3.26Å; F73-D75 VanDerWaalsContact C-N 3.26Å; F73-D75 PolarHBondContact O-N 3.13Å |
| 76 | N | 92.8 | Very high | 94.6 | Very high | 110 Ų | 110 | 61.8 Ų | 61.8 | 59% | 0.588 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -110.1 | -10.1 | -173.2 | -66.6 | -79.3 | 0 | 0 | 0 | 114.1 | D72 F73 | D72-N76 WeakPolarHBondContact O-CB 3.43Å; D72-N76 PolarHBondContact O-N 2.76Å; D72-N76 PolarHBondContact O-ND2 2.88Å; F73-N76 PolarHBondContact O-N 3.01Å; F73-N76 VanDerWaalsContact O-N 3.1Å |
| 77 | H | 90.7 | Very high | 94.8 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 30% | 0.296 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -120.2 | 88.8 | -179.6 | -66.1 | 67.1 | 0 | 0 | 0 | 108.5 | Y31 F73 V79 | Y31-H77 AromaticContact CD2-CE1 3.04Å; Y31-H77 WeakPolarHBondContact CD2-CE1 3.48Å; Y31-H77 AromaticContact CD2-ND1 3.82Å; Y31-H77 AromaticContact CD2-NE2 3.46Å; Y31-H77 WeakPolarHBondContact CD2-NE2 3.37Å; Y31-H77 AromaticContact CE2-CE1 3.29Å; Y31-H77 WeakPolarHBondContact CE2-CE1 3.31Å; Y31-H77 AromaticContact CE2-ND1 3.99Å; Y31-H77 AromaticContact CG-CE1 3.92Å; F73-H77 HydrophobicContact CD2-CB 3.95Å; F73-H77 AromaticContact CD2-CG 3.62Å; F73-H77 AromaticContact CD2-ND1 3.67Å; F73-H77 HydrophobicContact CE1-CB 4.3Å; F73-H77 HydrophobicContact CE2-CB 3.63Å; F73-H77 AromaticContact CE2-CD2 3.82Å; F73-H77 AromaticContact CE2-CG 3.49Å; F73-H77 VanDerWaalsContact CE2-CG 3.49Å; F73-H77 HydrophobicContact CG-CB 4.46Å; F73-H77 HydrophobicContact CZ-CB 3.82Å; F73-H77 VanDerWaalsContact O-CB 3.29Å; F73-H77 WeakPolarHBondContact O-CB 3.39Å; F73-H77 PolarHBondContact O-N 2.92Å; F73-H77 PolarHBondContact O-ND1 3.27Å; H77-V79 PolarHBondContact O-N 2.98Å |
| 78 | P | 89.2 | Confident | 95 | Very high | 108 Ų | 108 | 60.5 Ų | 60.5 | 70% | 0.701 | 32% | 0.324 | S | S | * | . | trans | -63.3 | 139.1 | -179.9 | 25.9 | -33.1 | 0 | 0 | 0 | 110.6 | R80 | P78-R80 PolarHBondContact O-N 3.13Š| ||
| 79 | V | 91.7 | Very high | 95.2 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | trans | -57.2 | 131.5 | 172.9 | 172.2 | 0 | 0 | 0 | 0 | 109.7 | H77 L81 R112 V113 L116 | H77-V79 PolarHBondContact O-N 2.98Å; V79-L81 HydrophobicContact CG1-CD2 3.85Å; V79-L81 HydrophobicContact CG1-CG 4.21Å; V79-R112 HydrophobicContact CG2-CB 4.27Å; V79-R112 HydrophobicContact CG2-CG 3.87Å; V79-V113 HydrophobicContact CG1-CG2 3.74Å; V79-V113 HydrophobicContact CG2-CG2 4.19Å; V79-L116 HydrophobicContact CB-CD1 3.71Å; V79-L116 HydrophobicContact CG1-CD1 4.07Å; V79-L116 HydrophobicContact CG2-CD1 4.17Å | ||
| 80 | R | 96 | Very high | 95.5 | Very high | 107 Ų | 107 | 54.3 Ų | 54.3 | 40% | 0.404 | 30% | 0.3 | S | S | . | . | trans | -97.2 | 96.9 | 173.2 | -68.6 | -175.4 | -65.5 | -141.9 | 0.3 | 109.9 | C20 E21 D22 E27 P78 | C20-R80 CarbonylContact C-O 3.41Å; C20-R80 VanDerWaalsContact CA-O 3.24Å; C20-R80 WeakPolarHBondContact CA-O 3.39Å; E21-R80 HydrophobicContact CB-CB 4.26Å; E21-R80 HydrophobicContact CG-CB 4.49Å; E21-R80 PolarHBondContact N-O 2.6Å; D22-R80 IonicContact OD2-CZ 3.89Å; D22-R80 IonicContact OD2-NE 2.73Å; D22-R80 PolarHBondContact OD2-NE 3.26Å; D22-R80 IonicContact OD2-NH2 3.16Å; D22-R80 PolarHBondContact OD2-NH2 2.95Å; E27-R80 IonicContact OE1-CZ 2.96Å; E27-R80 IonicContact OE1-NH2 3.22Å; E27-R80 PolarHBondContact OE1-NH2 3.29Å; E27-R80 IonicContact OE2-NH2 2.76Å; P78-R80 PolarHBondContact O-N 3.13Å | ||
| 81 | L | 98.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 137.1 | 176.4 | -65.8 | 178.3 | 0 | 0 | 0 | 110.6 | V19 V79 V85 E86 V113 L116 L117 | V19-L81 HydrophobicContact CG1-CD2 4.06Å; V79-L81 HydrophobicContact CG1-CD2 3.85Å; V79-L81 HydrophobicContact CG1-CG 4.21Å; L81-V85 HydrophobicContact CB-CG1 3.95Å; L81-V85 HydrophobicContact CD2-CG1 4.3Å; L81-E86 HydrophobicContact CD1-CG 3.72Å; L81-V113 HydrophobicContact CD2-CG1 4.07Å; L81-L116 HydrophobicContact CD1-CB 4.34Å; L81-L117 HydrophobicContact CD1-CD2 3.95Å; L81-L117 HydrophobicContact CD1-CG 4.48Å; L81-L117 HydrophobicContact CD2-CD1 4.35Å; L81-L117 HydrophobicContact CD2-CD2 4.44Å; L81-L117 HydrophobicContact CD2-CG 4.39Å |
| 82 | T | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 127.3 | 171.3 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | T18 V19 G84 V85 V191 N192 V209 | T18-T82 WeakPolarHBondContact O-CB 3.31Å; T18-T82 PolarHBondContact O-OG1 2.92Å; V19-T82 WeakPolarHBondContact O-CB 3.33Å; V19-T82 PolarHBondContact O-N 3.06Å; V19-T82 PolarHBondContact O-OG1 2.74Å; T82-G84 PolarHBondContact O-N 3.24Å; T82-G84 VanDerWaalsContact O-N 3.17Å; T82-V85 VanDerWaalsContact O-CB 3.31Å; T82-V85 WeakPolarHBondContact O-CB 3.4Å; T82-V85 WeakPolarHBondContact O-CG1 3.21Å; T82-V85 PolarHBondContact O-N 2.89Å; T82-V191 HydrophobicContact CG2-CB 4.31Å; T82-V191 HydrophobicContact CG2-CG1 3.75Å; T82-V191 HydrophobicContact CG2-CG2 3.57Å; T82-N192 PolarHBondContact OG1-ND2 3.01Å; T82-V209 HydrophobicContact CG2-CG2 4.23Å |
| 83 | P | 98.3 | Very high | 96.1 | Very high | 94 Ų | 94 | 53.5 Ų | 53.5 | 61% | 0.61 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 122.9 | -178.3 | -30.4 | 36 | 0 | 0 | 0 | 113.2 | V209 | P83-V209 VanDerWaalsContact O-CG2 3.26Å; P83-V209 WeakPolarHBondContact O-CG2 3.25Å |
| 84 | G | 98.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 60.4 Ų | 60.4 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -7.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | T82 E86 N87 L88 | T82-G84 PolarHBondContact O-N 3.24Å; T82-G84 VanDerWaalsContact O-N 3.17Å; G84-E86 VanDerWaalsContact C-N 3.29Å; G84-E86 PolarHBondContact O-N 3.47Å; G84-N87 WeakPolarHBondContact O-CB 3.41Å; G84-N87 PolarHBondContact O-N 3.42Å; G84-N87 VanDerWaalsContact O-N 3.11Å; G84-L88 PolarHBondContact O-N 3.06Å |
| 85 | V | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -32.8 | -177.6 | 82.9 | 0 | 0 | 0 | 0 | 112.7 | V19 L81 T82 N87 L88 V89 L117 | V19-V85 HydrophobicContact CB-CG2 4.43Å; V19-V85 HydrophobicContact CG1-CG1 4.27Å; V19-V85 HydrophobicContact CG1-CG2 4.28Å; V19-V85 HydrophobicContact CG2-CG2 4.15Å; L81-V85 HydrophobicContact CB-CG1 3.95Å; L81-V85 HydrophobicContact CD2-CG1 4.3Å; T82-V85 VanDerWaalsContact O-CB 3.31Å; T82-V85 WeakPolarHBondContact O-CB 3.4Å; T82-V85 WeakPolarHBondContact O-CG1 3.21Å; T82-V85 PolarHBondContact O-N 2.89Å; V85-N87 VanDerWaalsContact C-N 3.31Å; V85-N87 PolarHBondContact O-N 3.49Å; V85-L88 HydrophobicContact CG2-CD2 4.36Å; V85-L88 WeakPolarHBondContact O-CB 3.29Å; V85-L88 PolarHBondContact O-N 3.31Å; V85-V89 WeakPolarHBondContact O-CG2 3.49Å; V85-V89 PolarHBondContact O-N 2.78Å; V85-L117 HydrophobicContact CG1-CD2 4.23Å |
| 86 | E | 98.3 | Very high | 96.7 | Very high | 107 Ų | 107 | 56.9 Ų | 56.9 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 173.7 | -63.8 | -174.9 | 119.9 | 0 | 0 | 111.1 | L81 G84 V89 N90 L117 | L81-E86 HydrophobicContact CD1-CG 3.72Å; G84-E86 VanDerWaalsContact C-N 3.29Å; G84-E86 PolarHBondContact O-N 3.47Å; E86-V89 PolarHBondContact O-N 2.97Å; E86-N90 WeakPolarHBondContact O-CB 3.43Å; E86-N90 VanDerWaalsContact O-CG 3.23Å; E86-N90 PolarHBondContact O-N 3.11Å; E86-N90 PolarHBondContact O-ND2 3.1Å; E86-L117 HydrophobicContact CB-CD2 4.32Å; E86-L117 HydrophobicContact CG-CD2 3.77Å |
| 87 | N | 98.1 | Very high | 97 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 176.2 | 176.3 | 60.6 | 0 | 0 | 0 | 111.3 | G84 V85 V89 N90 Q91 I213 | G84-N87 WeakPolarHBondContact O-CB 3.41Å; G84-N87 PolarHBondContact O-N 3.42Å; G84-N87 VanDerWaalsContact O-N 3.11Å; V85-N87 VanDerWaalsContact C-N 3.31Å; V85-N87 PolarHBondContact O-N 3.49Å; N87-V89 PolarHBondContact O-N 3.33Å; N87-N90 PolarHBondContact O-N 3.23Å; N87-Q91 WeakPolarHBondContact O-CG 3.49Å; N87-Q91 PolarHBondContact O-N 3.2Å; N87-I213 WeakPolarHBondContact ND2-CD1 3.46Å |
| 88 | L | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 175.6 | 173.9 | 67.7 | 0 | 0 | 0 | 111.7 | G84 V85 N90 Q91 F92 V209 L212 I213 L216 | G84-L88 PolarHBondContact O-N 3.06Å; V85-L88 HydrophobicContact CG2-CD2 4.36Å; V85-L88 WeakPolarHBondContact O-CB 3.29Å; V85-L88 PolarHBondContact O-N 3.31Å; L88-N90 VanDerWaalsContact C-N 3.35Å; L88-N90 PolarHBondContact O-N 2.91Å; L88-Q91 PolarHBondContact O-N 3.4Å; L88-F92 HydrophobicContact CD1-CD2 4.38Å; L88-F92 HydrophobicContact CD1-CE2 3.66Å; L88-F92 HydrophobicContact CD1-CZ 3.8Å; L88-F92 HydrophobicContact CD2-CE2 4.18Å; L88-F92 HydrophobicContact CG-CD2 4.21Å; L88-F92 HydrophobicContact CG-CE2 3.63Å; L88-F92 HydrophobicContact CG-CZ 4.28Å; L88-F92 WeakPolarHBondContact O-CD2 3.44Å; L88-F92 PolarHBondContact O-N 3.31Å; L88-F92 VanDerWaalsContact O-N 3.1Å; L88-V209 HydrophobicContact CB-CG1 3.91Å; L88-L212 HydrophobicContact CD1-CD2 4.26Å; L88-L212 HydrophobicContact CD1-CG 4.3Å; L88-L212 HydrophobicContact CD2-CD2 3.59Å; L88-L212 HydrophobicContact CD2-CG 4.48Å; L88-I213 HydrophobicContact CD1-CG1 3.77Å; L88-L216 HydrophobicContact CD1-CD1 3.9Å |
| 89 | V | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 179.5 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L13 V85 E86 N87 F92 K93 V99 L117 I119 | L13-V89 HydrophobicContact CD1-CG2 3.96Å; V85-V89 WeakPolarHBondContact O-CG2 3.49Å; V85-V89 PolarHBondContact O-N 2.78Å; E86-V89 PolarHBondContact O-N 2.97Å; N87-V89 PolarHBondContact O-N 3.33Å; V89-F92 PolarHBondContact O-N 3.01Å; V89-K93 HydrophobicContact CG1-CD 4.39Å; V89-K93 WeakPolarHBondContact O-CG 3.47Å; V89-K93 PolarHBondContact O-N 2.8Å; V89-K93 VanDerWaalsContact O-N 3.15Å; V89-V99 HydrophobicContact CG1-CG2 4.41Å; V89-L117 HydrophobicContact CG1-CB 4.36Å; V89-L117 HydrophobicContact CG2-CD1 4.29Å; V89-L117 HydrophobicContact CG2-CD2 4.44Å; V89-I119 HydrophobicContact CG1-CD1 4.22Å; V89-I119 HydrophobicContact CG1-CG1 4.21Å |
| 90 | N | 98.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 46 Ų | 46 | 37% | 0.369 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 174.9 | -71.8 | -22.2 | 0 | 0 | 0 | 111.7 | E86 N87 L88 F92 K93 E94 | E86-N90 WeakPolarHBondContact O-CB 3.43Å; E86-N90 VanDerWaalsContact O-CG 3.23Å; E86-N90 PolarHBondContact O-N 3.11Å; E86-N90 PolarHBondContact O-ND2 3.1Å; N87-N90 PolarHBondContact O-N 3.23Å; L88-N90 VanDerWaalsContact C-N 3.35Å; L88-N90 PolarHBondContact O-N 2.91Å; N90-F92 VanDerWaalsContact C-N 3.33Å; N90-F92 PolarHBondContact O-N 2.92Å; N90-K93 PolarHBondContact O-N 3.19Å; N90-E94 WeakPolarHBondContact O-CB 3.48Å; N90-E94 WeakPolarHBondContact O-CG 2.99Å; N90-E94 PolarHBondContact O-N 3.17Å |
| 91 | Q | 98.2 | Very high | 98.3 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 176.3 | -63.2 | -129.6 | -14.6 | 0 | 0 | 112.2 | N87 L88 N95 L222 | N87-Q91 WeakPolarHBondContact O-CG 3.49Å; N87-Q91 PolarHBondContact O-N 3.2Å; L88-Q91 PolarHBondContact O-N 3.4Å; Q91-N95 WeakPolarHBondContact O-CB 3.5Å; Q91-N95 PolarHBondContact O-N 3.24Å; Q91-N95 VanDerWaalsContact O-N 3.13Å; Q91-N95 PolarHBondContact O-ND2 3.3Å; Q91-L222 HydrophobicContact CB-CD1 4.02Å; Q91-L222 HydrophobicContact CB-CD2 4.11Å |
| 92 | F | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -49.9 | 173.7 | -71.6 | -49.8 | 0 | 0 | 0 | 111.5 | V11 L88 V89 N90 E94 N95 G96 I97 V99 I170 L216 M221 L222 | V11-F92 HydrophobicContact CG1-CE2 4.07Å; V11-F92 HydrophobicContact CG1-CZ 4.12Å; V11-F92 HydrophobicContact CG2-CD1 4.12Å; V11-F92 HydrophobicContact CG2-CE1 3.83Å; V11-F92 HydrophobicContact CG2-CZ 4.03Å; L88-F92 HydrophobicContact CD1-CD2 4.38Å; L88-F92 HydrophobicContact CD1-CE2 3.66Å; L88-F92 HydrophobicContact CD1-CZ 3.8Å; L88-F92 HydrophobicContact CD2-CE2 4.18Å; L88-F92 HydrophobicContact CG-CD2 4.21Å; L88-F92 HydrophobicContact CG-CE2 3.63Å; L88-F92 HydrophobicContact CG-CZ 4.28Å; L88-F92 WeakPolarHBondContact O-CD2 3.44Å; L88-F92 PolarHBondContact O-N 3.31Å; L88-F92 VanDerWaalsContact O-N 3.1Å; V89-F92 PolarHBondContact O-N 3.01Å; N90-F92 VanDerWaalsContact C-N 3.33Å; N90-F92 PolarHBondContact O-N 2.92Å; F92-E94 PolarHBondContact O-N 3.31Å; F92-N95 CarbonylContact O-C 3.25Å; F92-N95 PolarHBondContact O-N 3.11Å; F92-N95 VanDerWaalsContact O-N 3.13Å; F92-G96 PolarHBondContact O-N 3.32Å; F92-I97 CarbonylContact C-O 3.56Å; F92-I97 HydrophobicContact CB-CB 4.09Å; F92-I97 HydrophobicContact CB-CG2 4.27Å; F92-I97 HydrophobicContact CD1-CB 4.33Å; F92-I97 HydrophobicContact CD1-CD1 3.9Å; F92-I97 HydrophobicContact CD1-CG2 4.09Å; F92-I97 HydrophobicContact CG-CG2 4.43Å; F92-I97 WeakPolarHBondContact O-CB 3.44Å; F92-I97 PolarHBondContact O-N 2.94Å; F92-V99 HydrophobicContact CB-CG2 3.53Å; F92-V99 HydrophobicContact CD2-CG2 3.96Å; F92-V99 HydrophobicContact CG-CG2 4.1Å; F92-I170 HydrophobicContact CZ-CD1 4.15Å; F92-L216 HydrophobicContact CE1-CD1 3.63Å; F92-L216 HydrophobicContact CE1-CD2 4.3Å; F92-L216 HydrophobicContact CZ-CD1 3.53Å; F92-M221 HydrophobicContact CE1-CE 4.13Å; F92-L222 HydrophobicContact CD1-CD2 3.8Å; F92-L222 HydrophobicContact CE1-CD2 4.22Å |
| 93 | K | 97.9 | Very high | 98 | Very high | 68 Ų | 68 | 39.4 Ų | 39.4 | 30% | 0.296 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -44.5 | -179.3 | -67.2 | 175.1 | -173.5 | 178.6 | 0 | 112.7 | V89 N90 N95 G96 L117 N118 | V89-K93 HydrophobicContact CG1-CD 4.39Å; V89-K93 WeakPolarHBondContact O-CG 3.47Å; V89-K93 PolarHBondContact O-N 2.8Å; V89-K93 VanDerWaalsContact O-N 3.15Å; N90-K93 PolarHBondContact O-N 3.19Å; K93-N95 PolarHBondContact O-N 2.86Å; K93-G96 PolarHBondContact O-N 3.34Å; K93-L117 PolarHBondContact NZ-O 3Å; K93-N118 PolarHBondContact NZ-O 3.24Å |
| 94 | E | 97.6 | Very high | 97.6 | Very high | 156 Ų | 156 | 36.8 Ų | 36.8 | 73% | 0.729 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -61.6 | -28.6 | 177.2 | -73.1 | 176 | 170.8 | 0 | 0 | 112.4 | N90 F92 G96 | N90-E94 WeakPolarHBondContact O-CB 3.48Å; N90-E94 WeakPolarHBondContact O-CG 2.99Å; N90-E94 PolarHBondContact O-N 3.17Å; F92-E94 PolarHBondContact O-N 3.31Å; E94-G96 VanDerWaalsContact C-N 3.32Å |
| 95 | N | 97.8 | Very high | 97.3 | Very high | 32 Ų | 32 | 35.3 Ų | 35.3 | 17% | 0.171 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 10.5 | 175.6 | -73.3 | -86.9 | 0 | 0 | 0 | 113.5 | Q91 F92 K93 I97 L222 L223 | Q91-N95 WeakPolarHBondContact O-CB 3.5Å; Q91-N95 PolarHBondContact O-N 3.24Å; Q91-N95 VanDerWaalsContact O-N 3.13Å; Q91-N95 PolarHBondContact O-ND2 3.3Å; F92-N95 CarbonylContact O-C 3.25Å; F92-N95 PolarHBondContact O-N 3.11Å; F92-N95 VanDerWaalsContact O-N 3.13Å; K93-N95 PolarHBondContact O-N 2.86Å; N95-I97 VanDerWaalsContact C-N 3.34Å; N95-I97 HydrophobicContact CB-CD1 4.09Å; N95-L222 HydrophobicContact CB-CD2 4.15Å; N95-L223 WeakPolarHBondContact OD1-CG 3.45Å; N95-L223 PolarHBondContact OD1-N 3Å |
| 96 | G | 97 | Very high | 97 | Very high | 51 Ų | 51 | 35.3 Ų | 35.3 | 53% | 0.526 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 35 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F92 K93 E94 | F92-G96 PolarHBondContact O-N 3.32Å; K93-G96 PolarHBondContact O-N 3.34Å; E94-G96 VanDerWaalsContact C-N 3.32Å |
| 97 | I | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | trans | -105.5 | 122.9 | 176.6 | -61.8 | 161 | 0 | 0 | 0 | 108 | K9 V11 F92 N95 M221 L222 | K9-I97 HydrophobicContact CD-CG1 4.4Å; V11-I97 HydrophobicContact CB-CG2 4.27Å; V11-I97 HydrophobicContact CG2-CG2 3.65Å; F92-I97 CarbonylContact C-O 3.56Å; F92-I97 HydrophobicContact CB-CB 4.09Å; F92-I97 HydrophobicContact CB-CG2 4.27Å; F92-I97 HydrophobicContact CD1-CB 4.33Å; F92-I97 HydrophobicContact CD1-CD1 3.9Å; F92-I97 HydrophobicContact CD1-CG2 4.09Å; F92-I97 HydrophobicContact CG-CG2 4.43Å; F92-I97 WeakPolarHBondContact O-CB 3.44Å; F92-I97 PolarHBondContact O-N 2.94Å; N95-I97 VanDerWaalsContact C-N 3.34Å; N95-I97 HydrophobicContact CB-CD1 4.09Å; I97-M221 HydrophobicContact CD1-CE 3.84Å; I97-M221 HydrophobicContact CD1-CG 3.7Å; I97-M221 WeakPolarHBondContact CD1-O 3.48Å; I97-M221 HydrophobicContact CG2-CE 4.08Å; I97-L222 HydrophobicContact CD1-CD2 4.16Å | ||
| 98 | D | 98.2 | Very high | 96.6 | Very high | 79 Ų | 79 | 31 Ų | 31 | 42% | 0.422 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.6 | 176 | -68.7 | -32.5 | 0 | 0 | 0 | 110.2 | K9 C10 V11 Y100 | K9-D98 PolarHBondContact O-N 2.81Å; C10-D98 WeakPolarHBondContact CA-O 3.45Å; V11-D98 PolarHBondContact N-O 3.38Å; D98-Y100 HydrophobicContact CB-CD2 4.33Å; D98-Y100 HydrophobicContact CB-CE2 3.67Å |
| 99 | V | 98.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.9 | 177.8 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | V11 L13 V89 F92 I119 N123 | V11-V99 WeakPolarHBondContact O-CA 3.43Å; L13-V99 HydrophobicContact CD1-CG1 3.71Å; L13-V99 HydrophobicContact CG-CG1 4.12Å; V89-V99 HydrophobicContact CG1-CG2 4.41Å; F92-V99 HydrophobicContact CB-CG2 3.53Å; F92-V99 HydrophobicContact CD2-CG2 3.96Å; F92-V99 HydrophobicContact CG-CG2 4.1Å; V99-I119 HydrophobicContact CB-CD1 4.34Å; V99-I119 HydrophobicContact CB-CG1 4.47Å; V99-I119 HydrophobicContact CG1-CD1 3.73Å; V99-I119 HydrophobicContact CG1-CG1 4.39Å; V99-N123 WeakPolarHBondContact O-CB 3.39Å; V99-N123 PolarHBondContact O-ND2 2.89Å |
| 100 | Y | 98.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 32 Ų | 32 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.7 | 176.2 | -69.8 | -96.4 | 0 | 0 | 0 | 110 | C10 V11 C12 L13 D98 N123 Y125 L159 L163 | C10-Y100 WeakPolarHBondContact SG-CD2 3.3Å; V11-Y100 PolarHBondContact O-N 3.18Å; C12-Y100 WeakPolarHBondContact CA-O 3.17Å; L13-Y100 PolarHBondContact N-O 3.11Å; D98-Y100 HydrophobicContact CB-CD2 4.33Å; D98-Y100 HydrophobicContact CB-CE2 3.67Å; Y100-N123 WeakPolarHBondContact CA-O 3.3Å; Y100-N123 VanDerWaalsContact CD1-CA 3.46Å; Y100-N123 HydrophobicContact CD1-CB 3.52Å; Y100-N123 HydrophobicContact CE1-CB 3.77Å; Y100-N123 WeakPolarHBondContact CE1-OD1 3.39Å; Y100-N123 HydrophobicContact CG-CB 4.08Å; Y100-Y125 HydrophobicContact CD1-CD2 4.26Å; Y100-Y125 AromaticContact CD1-CE2 3.65Å; Y100-Y125 HydrophobicContact CD1-CE2 3.65Å; Y100-Y125 HydrophobicContact CE1-CE2 4.08Å; Y100-L159 HydrophobicContact CD1-CD1 4.01Å; Y100-L159 HydrophobicContact CD1-CD2 3.93Å; Y100-L159 HydrophobicContact CD2-CD1 4.23Å; Y100-L159 HydrophobicContact CE1-CD1 4.35Å; Y100-L159 HydrophobicContact CE1-CD2 3.45Å; Y100-L159 VanDerWaalsContact CE1-CD2 3.45Å; Y100-L159 HydrophobicContact CE2-CD2 4.25Å; Y100-L159 HydrophobicContact CG-CD1 3.93Å; Y100-L159 HydrophobicContact CG-CD2 4.48Å; Y100-L163 HydrophobicContact CE2-CD1 3.94Å |
| 101 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.4 | 169.5 | -60 | -173.2 | 0 | 0 | 0 | 108.5 | L13 V15 V19 V110 V113 A114 I119 N123 Y125 | L13-L101 HydrophobicContact CB-CD2 4.08Å; L13-L101 WeakPolarHBondContact O-CA 3.43Å; V15-L101 HydrophobicContact CG2-CB 3.97Å; V15-L101 HydrophobicContact CG2-CD1 4.31Å; V15-L101 HydrophobicContact CG2-CD2 4.36Å; V15-L101 HydrophobicContact CG2-CG 4.44Å; V19-L101 HydrophobicContact CG2-CD2 4.25Å; L101-V110 HydrophobicContact CB-CG1 3.76Å; L101-V110 HydrophobicContact CD1-CG1 3.82Å; L101-V110 HydrophobicContact CG-CG1 4.46Å; L101-V113 HydrophobicContact CD1-CB 4.17Å; L101-V113 HydrophobicContact CD1-CG1 3.88Å; L101-A114 HydrophobicContact CD1-CB 3.89Å; L101-I119 HydrophobicContact CD1-CD1 4.19Å; L101-I119 HydrophobicContact CD2-CD1 3.73Å; L101-I119 HydrophobicContact CG-CD1 3.84Å; L101-N123 PolarHBondContact N-O 3.29Å; L101-Y125 PolarHBondContact O-N 2.95Å |
| 102 | V | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 99.6 | -177.9 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | C12 L13 Y125 T146 K152 I155 | C12-V102 HydrophobicContact CB-CG2 3.84Å; L13-V102 PolarHBondContact O-N 3.25Å; V102-Y125 WeakPolarHBondContact CA-O 2.99Å; V102-Y125 HydrophobicContact CG2-CD2 4.25Å; V102-T146 HydrophobicContact CG1-CG2 4.43Å; V102-K152 HydrophobicContact CG1-CB 4.12Å; V102-K152 HydrophobicContact CG1-CD 4.44Å; V102-K152 HydrophobicContact CG1-CG 4Å; V102-K152 VanDerWaalsContact O-CE 3.23Å; V102-K152 WeakPolarHBondContact O-CE 3.34Å; V102-K152 PolarHBondContact O-NZ 3.2Å; V102-I155 HydrophobicContact CG1-CB 3.98Å; V102-I155 HydrophobicContact CG1-CG1 4.19Å; V102-I155 HydrophobicContact CG1-CG2 3.97Å; V102-I155 HydrophobicContact CG2-CG2 3.81Å |
| 103 | S | 94.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.8 | -168.3 | 177 | 0 | 0 | 0 | 0 | 113 | D16 G105 Y125 T146 | D16-S103 PolarHBondContact OD2-OG 3.01Å; S103-G105 VanDerWaalsContact C-N 3.26Å; S103-G105 WeakPolarHBondContact OG-CA 3.37Å; S103-G105 PolarHBondContact OG-N 3.15Å; S103-Y125 PolarHBondContact N-O 3.28Å; S103-T146 WeakPolarHBondContact O-CB 3.46Å; S103-T146 WeakPolarHBondContact O-CG2 3.35Å |
| 104 | G | 90 | Very high | 96.1 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 40% | 0.402 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -5.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N127 | G104-N127 PolarHBondContact O-ND2 3.33Å |
| 105 | G | 91.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 8% | 0.082 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -174.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | S103 N127 | S103-G105 VanDerWaalsContact C-N 3.26Å; S103-G105 WeakPolarHBondContact OG-CA 3.37Å; S103-G105 PolarHBondContact OG-N 3.15Å; G105-N127 WeakPolarHBondContact O-CB 3.37Å; G105-N127 PolarHBondContact O-N 2.88Å |
| 106 | L | 92.3 | Very high | 96 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.3 | -173.3 | -54.5 | 178.7 | 0 | 0 | 0 | 111.5 | L25 I28 L60 P108 L109 V110 N127 L129 | L25-L106 HydrophobicContact CD1-CD1 4.07Å; I28-L106 HydrophobicContact CD1-CD1 3.94Å; L60-L106 HydrophobicContact CD1-CD2 4.33Å; L60-L106 HydrophobicContact CD2-CD1 3.87Å; L60-L106 HydrophobicContact CD2-CD2 4.11Å; L106-P108 VanDerWaalsContact C-CD 3.49Å; L106-L109 HydrophobicContact CB-CD1 4.16Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 2.91Å; L106-V110 PolarHBondContact O-N 3.11Å; L106-V110 VanDerWaalsContact O-N 3.14Å; L106-N127 CarbonylContact C-O 3.59Å; L106-N127 WeakPolarHBondContact CA-O 3.42Å; L106-N127 HydrophobicContact CD2-CB 4.32Å; L106-L129 HydrophobicContact CD1-CD1 4.25Å; L106-L129 HydrophobicContact CD1-CD2 4.46Å; L106-L129 HydrophobicContact CD2-CD2 3.89Å; L106-L129 HydrophobicContact CD2-CG 4.36Å |
| 107 | Y | 94.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 27.1 Ų | 27.1 | 24% | 0.243 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -51 | -43.2 | -176.8 | 177.7 | -94.8 | 0 | 0 | 0 | 114.4 | L109 V110 S111 E121 V124 A126 N127 K128 | Y107-L109 VanDerWaalsContact C-N 3.26Å; Y107-L109 PolarHBondContact O-N 2.96Å; Y107-V110 PolarHBondContact O-N 2.87Å; Y107-S111 VanDerWaalsContact O-CB 3.24Å; Y107-S111 WeakPolarHBondContact O-CB 3.44Å; Y107-S111 PolarHBondContact O-N 2.83Å; Y107-E121 VanDerWaalsContact CZ-OE2 3.32Å; Y107-E121 PolarHBondContact OH-OE2 3.15Å; Y107-V124 HydrophobicContact CD2-CG1 3.85Å; Y107-V124 HydrophobicContact CE2-CB 4.15Å; Y107-V124 HydrophobicContact CE2-CG1 3.75Å; Y107-A126 HydrophobicContact CD2-CB 4.43Å; Y107-N127 PolarHBondContact N-O 3.36Å; Y107-K128 HydrophobicContact CG-CG 4.1Å |
| 108 | P | 93.7 | Very high | 96.1 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 23% | 0.234 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -31.8 | 178.1 | -28 | 39.7 | 0 | 0 | 0 | 114.3 | L70 L74 L106 R112 | L70-P108 HydrophobicContact CD2-CB 3.93Å; L70-P108 HydrophobicContact CD2-CG 3.78Å; L70-P108 HydrophobicContact CG-CB 4.47Å; L74-P108 HydrophobicContact CD1-CB 4.02Å; L106-P108 VanDerWaalsContact C-CD 3.49Å; P108-R112 PolarHBondContact O-N 3.36Å |
| 109 | L | 94.8 | Very high | 96.1 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 11% | 0.11 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.9 | -48.6 | 175 | -63 | 168.1 | 0 | 0 | 0 | 110.5 | I28 F73 L74 L106 Y107 S111 R112 V113 | I28-L109 HydrophobicContact CD1-CD1 3.74Å; I28-L109 HydrophobicContact CD1-CD2 4.26Å; I28-L109 HydrophobicContact CD1-CG 4.27Å; F73-L109 HydrophobicContact CD1-CD2 4.17Å; F73-L109 HydrophobicContact CE1-CD2 3.53Å; L74-L109 HydrophobicContact CD2-CD2 3.68Å; L106-L109 HydrophobicContact CB-CD1 4.16Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 2.91Å; Y107-L109 VanDerWaalsContact C-N 3.26Å; Y107-L109 PolarHBondContact O-N 2.96Å; L109-S111 VanDerWaalsContact C-N 3.35Å; L109-S111 PolarHBondContact O-N 3.29Å; L109-R112 WeakPolarHBondContact O-CB 3.47Å; L109-R112 PolarHBondContact O-N 3.08Å; L109-R112 VanDerWaalsContact O-N 3.16Å; L109-V113 WeakPolarHBondContact O-CG2 3.43Å; L109-V113 PolarHBondContact O-N 3.45Å; L109-V113 VanDerWaalsContact O-N 3.12Å |
| 110 | V | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.6 | -36.6 | -176.6 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | V15 L101 L106 Y107 R112 V113 A114 V124 A126 | V15-V110 HydrophobicContact CB-CG2 4.47Å; V15-V110 HydrophobicContact CG1-CG2 4.33Å; V15-V110 HydrophobicContact CG2-CG1 3.71Å; V15-V110 HydrophobicContact CG2-CG2 4.21Å; L101-V110 HydrophobicContact CB-CG1 3.76Å; L101-V110 HydrophobicContact CD1-CG1 3.82Å; L101-V110 HydrophobicContact CG-CG1 4.46Å; L106-V110 PolarHBondContact O-N 3.11Å; L106-V110 VanDerWaalsContact O-N 3.14Å; Y107-V110 PolarHBondContact O-N 2.87Å; V110-R112 VanDerWaalsContact C-N 3.3Å; V110-R112 PolarHBondContact O-N 3.3Å; V110-V113 WeakPolarHBondContact O-CB 3.49Å; V110-V113 PolarHBondContact O-N 2.97Å; V110-A114 PolarHBondContact O-N 2.85Å; V110-V124 HydrophobicContact CB-CG1 4.07Å; V110-V124 HydrophobicContact CG1-CG1 3.57Å; V110-A126 HydrophobicContact CB-CB 3.94Å; V110-A126 HydrophobicContact CG1-CB 4.4Å; V110-A126 HydrophobicContact CG2-CB 3.72Å |
| 111 | S | 96.1 | Very high | 96 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 17% | 0.168 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 173 | 163.5 | 0 | 0 | 0 | 0 | 111 | Y107 L109 V113 A114 E115 E121 | Y107-S111 VanDerWaalsContact O-CB 3.24Å; Y107-S111 WeakPolarHBondContact O-CB 3.44Å; Y107-S111 PolarHBondContact O-N 2.83Å; L109-S111 VanDerWaalsContact C-N 3.35Å; L109-S111 PolarHBondContact O-N 3.29Å; S111-V113 VanDerWaalsContact C-N 3.35Å; S111-V113 PolarHBondContact O-N 2.79Å; S111-A114 WeakPolarHBondContact O-CB 3.18Å; S111-A114 PolarHBondContact O-N 3.15Å; S111-A114 VanDerWaalsContact O-N 3.16Å; S111-E115 PolarHBondContact O-N 3.34Å; S111-E121 WeakPolarHBondContact CB-OE1 3.15Å; S111-E121 PolarHBondContact OG-OE1 3.19Å; S111-E121 PolarHBondContact OG-OE2 3.44Å |
| 112 | R | 95.7 | Very high | 95.9 | Very high | 97 Ų | 97 | 41.5 Ų | 41.5 | 37% | 0.366 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 174.6 | -169.4 | 59.3 | 171.5 | 145.6 | 2.9 | 112.7 | V79 P108 L109 V110 A114 E115 L116 | V79-R112 HydrophobicContact CG2-CB 4.27Å; V79-R112 HydrophobicContact CG2-CG 3.87Å; P108-R112 PolarHBondContact O-N 3.36Å; L109-R112 WeakPolarHBondContact O-CB 3.47Å; L109-R112 PolarHBondContact O-N 3.08Å; L109-R112 VanDerWaalsContact O-N 3.16Å; V110-R112 VanDerWaalsContact C-N 3.3Å; V110-R112 PolarHBondContact O-N 3.3Å; R112-A114 VanDerWaalsContact C-N 3.35Å; R112-E115 IonicContact CZ-OE2 3.73Å; R112-E115 IonicContact NH1-OE1 3.1Å; R112-E115 PolarHBondContact NH1-OE1 3.28Å; R112-E115 VanDerWaalsContact NH1-OE1 3.1Å; R112-E115 IonicContact NH1-OE2 2.67Å; R112-E115 PolarHBondContact NH1-OE2 3.48Å; R112-E115 PolarHBondContact O-N 3.15Å; R112-L116 WeakPolarHBondContact O-CG 3.47Å; R112-L116 PolarHBondContact O-N 2.84Å |
| 113 | V | 97.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 172.6 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | V15 V19 C20 V79 L81 L101 L109 V110 S111 E115 L116 L117 | V15-V113 HydrophobicContact CG1-CG1 4.44Å; V15-V113 HydrophobicContact CG1-CG2 4.04Å; V19-V113 HydrophobicContact CG1-CG1 3.51Å; C20-V113 WeakPolarHBondContact SG-CG2 3.26Å; V79-V113 HydrophobicContact CG1-CG2 3.74Å; V79-V113 HydrophobicContact CG2-CG2 4.19Å; L81-V113 HydrophobicContact CD2-CG1 4.07Å; L101-V113 HydrophobicContact CD1-CB 4.17Å; L101-V113 HydrophobicContact CD1-CG1 3.88Å; L109-V113 WeakPolarHBondContact O-CG2 3.43Å; L109-V113 PolarHBondContact O-N 3.45Å; L109-V113 VanDerWaalsContact O-N 3.12Å; V110-V113 WeakPolarHBondContact O-CB 3.49Å; V110-V113 PolarHBondContact O-N 2.97Å; S111-V113 VanDerWaalsContact C-N 3.35Å; S111-V113 PolarHBondContact O-N 2.79Å; V113-E115 PolarHBondContact O-N 3.27Å; V113-L116 PolarHBondContact O-N 3.39Å; V113-L117 HydrophobicContact CG1-CD1 3.79Å; V113-L117 WeakPolarHBondContact O-CB 3.44Å; V113-L117 WeakPolarHBondContact O-CG 3.32Å; V113-L117 PolarHBondContact O-N 2.87Å |
| 114 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L101 V110 S111 R112 L116 L117 N118 I119 V124 | L101-A114 HydrophobicContact CD1-CB 3.89Å; V110-A114 PolarHBondContact O-N 2.85Å; S111-A114 WeakPolarHBondContact O-CB 3.18Å; S111-A114 PolarHBondContact O-N 3.15Å; S111-A114 VanDerWaalsContact O-N 3.16Å; R112-A114 VanDerWaalsContact C-N 3.35Å; A114-L116 PolarHBondContact O-N 2.96Å; A114-L117 CarbonylContact O-C 3.15Å; A114-L117 PolarHBondContact O-N 3.34Å; A114-N118 PolarHBondContact O-N 3.09Å; A114-I119 HydrophobicContact CB-CB 4.04Å; A114-I119 HydrophobicContact CB-CG2 4.41Å; A114-I119 PolarHBondContact O-N 2.91Å; A114-V124 HydrophobicContact CB-CG2 3.4Å |
| 115 | E | 97.3 | Very high | 96.4 | Very high | 113 Ų | 113 | 42.6 Ų | 42.6 | 53% | 0.528 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.5 | -49.4 | 177.1 | -170.7 | -169.8 | 164 | 0 | 0 | 111.6 | S111 R112 V113 L117 N118 | S111-E115 PolarHBondContact O-N 3.34Å; R112-E115 IonicContact CZ-OE2 3.73Å; R112-E115 IonicContact NH1-OE1 3.1Å; R112-E115 PolarHBondContact NH1-OE1 3.28Å; R112-E115 VanDerWaalsContact NH1-OE1 3.1Å; R112-E115 IonicContact NH1-OE2 2.67Å; R112-E115 PolarHBondContact NH1-OE2 3.48Å; R112-E115 PolarHBondContact O-N 3.15Å; V113-E115 PolarHBondContact O-N 3.27Å; E115-L117 PolarHBondContact O-N 2.96Å; E115-N118 PolarHBondContact O-N 3.21Å |
| 116 | L | 97.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.9 | -38.3 | 177.4 | -68.7 | 171.9 | 0 | 0 | 0 | 111.9 | V79 L81 R112 V113 A114 N118 | V79-L116 HydrophobicContact CB-CD1 3.71Å; V79-L116 HydrophobicContact CG1-CD1 4.07Å; V79-L116 HydrophobicContact CG2-CD1 4.17Å; L81-L116 HydrophobicContact CD1-CB 4.34Å; R112-L116 WeakPolarHBondContact O-CG 3.47Å; R112-L116 PolarHBondContact O-N 2.84Å; V113-L116 PolarHBondContact O-N 3.39Å; A114-L116 PolarHBondContact O-N 2.96Å; L116-N118 VanDerWaalsContact C-N 3.32Å |
| 117 | L | 98.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.4 | -179.7 | -64.1 | 175.6 | 0 | 0 | 0 | 113.5 | V19 L81 V85 E86 V89 K93 V113 A114 E115 I119 | V19-L117 HydrophobicContact CG1-CD1 3.47Å; V19-L117 VanDerWaalsContact CG1-CD1 3.47Å; L81-L117 HydrophobicContact CD1-CD2 3.95Å; L81-L117 HydrophobicContact CD1-CG 4.48Å; L81-L117 HydrophobicContact CD2-CD1 4.35Å; L81-L117 HydrophobicContact CD2-CD2 4.44Å; L81-L117 HydrophobicContact CD2-CG 4.39Å; V85-L117 HydrophobicContact CG1-CD2 4.23Å; E86-L117 HydrophobicContact CB-CD2 4.32Å; E86-L117 HydrophobicContact CG-CD2 3.77Å; V89-L117 HydrophobicContact CG1-CB 4.36Å; V89-L117 HydrophobicContact CG2-CD1 4.29Å; V89-L117 HydrophobicContact CG2-CD2 4.44Å; K93-L117 PolarHBondContact NZ-O 3Å; V113-L117 HydrophobicContact CG1-CD1 3.79Å; V113-L117 WeakPolarHBondContact O-CB 3.44Å; V113-L117 WeakPolarHBondContact O-CG 3.32Å; V113-L117 PolarHBondContact O-N 2.87Å; A114-L117 CarbonylContact O-C 3.15Å; A114-L117 PolarHBondContact O-N 3.34Å; E115-L117 PolarHBondContact O-N 2.96Å; L117-I119 HydrophobicContact CB-CD1 3.83Å; L117-I119 HydrophobicContact CB-CG1 3.96Å; L117-I119 HydrophobicContact CD1-CD1 4.1Å; L117-I119 PolarHBondContact O-N 3.48Å |
| 118 | N | 98.3 | Very high | 96.4 | Very high | 125 Ų | 125 | 44 Ų | 44 | 67% | 0.668 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36.7 | -173.3 | -59.2 | -80.7 | 0 | 0 | 0 | 113.4 | K93 A114 E115 L116 | K93-N118 PolarHBondContact NZ-O 3.24Å; A114-N118 PolarHBondContact O-N 3.09Å; E115-N118 PolarHBondContact O-N 3.21Å; L116-N118 VanDerWaalsContact C-N 3.32Å |
| 119 | I | 98.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | trans | -89.7 | 130.1 | 174.6 | -65.2 | 170.6 | 0 | 0 | 0 | 107.6 | V89 V99 L101 A114 L117 N123 | V89-I119 HydrophobicContact CG1-CD1 4.22Å; V89-I119 HydrophobicContact CG1-CG1 4.21Å; V99-I119 HydrophobicContact CB-CD1 4.34Å; V99-I119 HydrophobicContact CB-CG1 4.47Å; V99-I119 HydrophobicContact CG1-CD1 3.73Å; V99-I119 HydrophobicContact CG1-CG1 4.39Å; L101-I119 HydrophobicContact CD1-CD1 4.19Å; L101-I119 HydrophobicContact CD2-CD1 3.73Å; L101-I119 HydrophobicContact CG-CD1 3.84Å; A114-I119 HydrophobicContact CB-CB 4.04Å; A114-I119 HydrophobicContact CB-CG2 4.41Å; A114-I119 PolarHBondContact O-N 2.91Å; L117-I119 HydrophobicContact CB-CD1 3.83Å; L117-I119 HydrophobicContact CB-CG1 3.96Å; L117-I119 HydrophobicContact CD1-CD1 4.1Å; L117-I119 PolarHBondContact O-N 3.48Å; I119-N123 HydrophobicContact CG2-CB 3.85Å | ||
| 120 | P | 98 | Very high | 96.2 | Very high | 54 Ų | 54 | 46 Ų | 46 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | trans | -60.8 | 146.7 | -179.9 | -21.3 | 31.9 | 0 | 0 | 0 | 112.6 | E122 N123 | P120-E122 HydrophobicContact CB-CG 4Å; P120-E122 WeakPolarHBondContact CB-OE1 3.48Å; P120-E122 VanDerWaalsContact CB-OE2 3.27Å; P120-E122 WeakPolarHBondContact CB-OE2 3.38Å; P120-E122 PolarHBondContact O-N 2.88Å; P120-N123 WeakPolarHBondContact O-CA 3.47Å; P120-N123 WeakPolarHBondContact O-CB 3.46Å; P120-N123 PolarHBondContact O-N 2.91Å | ||
| 121 | E | 96.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -60.1 | -33.4 | 178.9 | -77.1 | -66.1 | 158.5 | 0 | 0 | 112.5 | Y107 S111 N123 V124 | Y107-E121 VanDerWaalsContact CZ-OE2 3.32Å; Y107-E121 PolarHBondContact OH-OE2 3.15Å; S111-E121 WeakPolarHBondContact CB-OE1 3.15Å; S111-E121 PolarHBondContact OG-OE1 3.19Å; S111-E121 PolarHBondContact OG-OE2 3.44Å; E121-N123 PolarHBondContact O-N 2.84Å; E121-N123 VanDerWaalsContact O-N 3.14Å; E121-V124 WeakPolarHBondContact O-CB 3.43Å; E121-V124 PolarHBondContact O-N 3.41Å; E121-V124 VanDerWaalsContact O-N 3.09Å |
| 122 | E | 96.6 | Very high | 96 | Very high | 133 Ų | 133 | 50 Ų | 50 | 62% | 0.621 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -64.8 | -13.2 | 174.2 | 64.3 | -92.9 | -150.1 | 0 | 0 | 114.1 | P120 | P120-E122 HydrophobicContact CB-CG 4Å; P120-E122 WeakPolarHBondContact CB-OE1 3.48Å; P120-E122 VanDerWaalsContact CB-OE2 3.27Å; P120-E122 WeakPolarHBondContact CB-OE2 3.38Å; P120-E122 PolarHBondContact O-N 2.88Å |
| 123 | N | 97.9 | Very high | 96 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -99 | 9.8 | 176.8 | -70.1 | 10.9 | 0 | 0 | 0 | 112.7 | V99 Y100 L101 I119 P120 E121 | V99-N123 WeakPolarHBondContact O-CB 3.39Å; V99-N123 PolarHBondContact O-ND2 2.89Å; Y100-N123 WeakPolarHBondContact CA-O 3.3Å; Y100-N123 VanDerWaalsContact CD1-CA 3.46Å; Y100-N123 HydrophobicContact CD1-CB 3.52Å; Y100-N123 HydrophobicContact CE1-CB 3.77Å; Y100-N123 WeakPolarHBondContact CE1-OD1 3.39Å; Y100-N123 HydrophobicContact CG-CB 4.08Å; L101-N123 PolarHBondContact N-O 3.29Å; I119-N123 HydrophobicContact CG2-CB 3.85Å; P120-N123 WeakPolarHBondContact O-CA 3.47Å; P120-N123 WeakPolarHBondContact O-CB 3.46Å; P120-N123 PolarHBondContact O-N 2.91Å; E121-N123 PolarHBondContact O-N 2.84Å; E121-N123 VanDerWaalsContact O-N 3.14Å |
| 124 | V | 97.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.1 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | Y107 V110 A114 E121 | Y107-V124 HydrophobicContact CD2-CG1 3.85Å; Y107-V124 HydrophobicContact CE2-CB 4.15Å; Y107-V124 HydrophobicContact CE2-CG1 3.75Å; V110-V124 HydrophobicContact CB-CG1 4.07Å; V110-V124 HydrophobicContact CG1-CG1 3.57Å; A114-V124 HydrophobicContact CB-CG2 3.4Å; E121-V124 WeakPolarHBondContact O-CB 3.43Å; E121-V124 PolarHBondContact O-N 3.41Å; E121-V124 VanDerWaalsContact O-N 3.09Å |
| 125 | Y | 96.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 14% | 0.141 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 111.1 | 176.2 | -63.3 | -85.5 | 0 | 0 | 0 | 110.3 | Y100 L101 V102 S103 I155 L159 | Y100-Y125 HydrophobicContact CD1-CD2 4.26Å; Y100-Y125 AromaticContact CD1-CE2 3.65Å; Y100-Y125 HydrophobicContact CD1-CE2 3.65Å; Y100-Y125 HydrophobicContact CE1-CE2 4.08Å; L101-Y125 PolarHBondContact O-N 2.95Å; V102-Y125 WeakPolarHBondContact CA-O 2.99Å; V102-Y125 HydrophobicContact CG2-CD2 4.25Å; S103-Y125 PolarHBondContact N-O 3.28Å; Y125-I155 HydrophobicContact CD1-CD1 3.35Å; Y125-I155 HydrophobicContact CD1-CG1 4Å; Y125-I155 HydrophobicContact CD1-CG2 4.04Å; Y125-I155 HydrophobicContact CD2-CG2 3.6Å; Y125-I155 HydrophobicContact CE1-CD1 3.73Å; Y125-I155 HydrophobicContact CE1-CG2 4.26Å; Y125-I155 HydrophobicContact CE2-CG2 3.84Å; Y125-I155 HydrophobicContact CG-CD1 3.96Å; Y125-I155 HydrophobicContact CG-CG1 4.09Å; Y125-I155 HydrophobicContact CG-CG2 3.69Å; Y125-L159 HydrophobicContact CE2-CD1 4.43Å; Y125-L159 HydrophobicContact CE2-CD2 4.22Å |
| 126 | A | 94.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 165.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y107 V110 K128 T146 | Y107-A126 HydrophobicContact CD2-CB 4.43Å; V110-A126 HydrophobicContact CB-CB 3.94Å; V110-A126 HydrophobicContact CG1-CB 4.4Å; V110-A126 HydrophobicContact CG2-CB 3.72Å; A126-K128 PolarHBondContact O-N 2.92Å; A126-T146 PolarHBondContact O-OG1 3.07Å |
| 127 | N | 92.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 125.6 | -178.4 | -78.7 | -53.8 | 0 | 0 | 0 | 111.2 | L56 G104 G105 L106 Y107 L140 T146 S147 | L56-N127 HydrophobicContact CD2-CB 4.37Å; L56-N127 WeakPolarHBondContact CD2-ND2 3.45Å; G104-N127 PolarHBondContact O-ND2 3.33Å; G105-N127 WeakPolarHBondContact O-CB 3.37Å; G105-N127 PolarHBondContact O-N 2.88Å; L106-N127 CarbonylContact C-O 3.59Å; L106-N127 WeakPolarHBondContact CA-O 3.42Å; L106-N127 HydrophobicContact CD2-CB 4.32Å; Y107-N127 PolarHBondContact N-O 3.36Å; N127-L140 HydrophobicContact CB-CD2 4.19Å; N127-T146 PolarHBondContact N-OG1 3.26Å; N127-T146 PolarHBondContact ND2-O 3.14Å; N127-T146 PolarHBondContact OD1-O 3.27Å; N127-S147 WeakPolarHBondContact OD1-CA 3.47Å; N127-S147 WeakPolarHBondContact OD1-CB 3.3Å; N127-S147 PolarHBondContact OD1-N 3.25Å |
| 128 | K | 91.8 | Very high | 95 | Very high | 95 Ų | 95 | 60.2 Ų | 60.2 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 135.1 | 178.3 | -65.2 | 177.8 | -179.1 | 178.1 | 0 | 110.5 | Y107 A126 D141 | Y107-K128 HydrophobicContact CG-CG 4.1Å; A126-K128 PolarHBondContact O-N 2.92Å; K128-D141 HydrophobicContact CB-CB 3.81Å; K128-D141 PolarHBondContact O-N 3.41Å |
| 129 | L | 92.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 55 Ų | 55 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 138.9 | 174.2 | -59.6 | 174.6 | 0 | 0 | 0 | 109.6 | L60 L65 L70 L106 F131 Y137 L140 | L60-L129 HydrophobicContact CD1-CD2 3.79Å; L60-L129 HydrophobicContact CD2-CD2 3.99Å; L60-L129 HydrophobicContact CG-CD2 4.49Å; L65-L129 HydrophobicContact CD1-CD1 4.15Å; L70-L129 HydrophobicContact CD2-CD1 3.91Å; L106-L129 HydrophobicContact CD1-CD1 4.25Å; L106-L129 HydrophobicContact CD1-CD2 4.46Å; L106-L129 HydrophobicContact CD2-CD2 3.89Å; L106-L129 HydrophobicContact CD2-CG 4.36Å; L129-F131 HydrophobicContact CB-CD2 4.39Å; L129-F131 HydrophobicContact CB-CE2 3.67Å; L129-F131 HydrophobicContact CB-CZ 3.83Å; L129-F131 HydrophobicContact CD1-CE2 4.25Å; L129-F131 HydrophobicContact CD1-CZ 3.68Å; L129-F131 HydrophobicContact CG-CZ 4.45Å; L129-Y137 HydrophobicContact CB-CD2 4.3Å; L129-Y137 HydrophobicContact CD2-CD2 3.81Å; L129-Y137 HydrophobicContact CD2-CE2 3.6Å; L129-L140 HydrophobicContact CD2-CD2 3.94Å |
| 130 | I | 92.9 | Very high | 94.2 | Very high | 78 Ų | 78 | 54.9 Ų | 54.9 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.4 | 169.5 | -56.5 | 177.9 | 0 | 0 | 0 | 108 | V138 G139 L140 D141 | I130-V138 HydrophobicContact CB-CG2 4.13Å; I130-V138 HydrophobicContact CG2-CG2 3.64Å; I130-V138 WeakPolarHBondContact O-CG2 3.38Å; I130-V138 PolarHBondContact O-N 2.98Å; I130-G139 PolarHBondContact N-O 2.78Å; I130-L140 WeakPolarHBondContact CD1-O 3.17Å; I130-D141 HydrophobicContact CG1-CB 4.38Å |
| 131 | F | 93.5 | Very high | 93.7 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 26% | 0.263 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 145.6 | 174.7 | -61.1 | -84.2 | 0 | 0 | 0 | 110.3 | V67 L70 L129 G135 T136 | V67-F131 HydrophobicContact CG2-CB 4.25Å; V67-F131 HydrophobicContact CG2-CD1 3.78Å; V67-F131 HydrophobicContact CG2-CD2 3.93Å; V67-F131 HydrophobicContact CG2-CE1 4.04Å; V67-F131 HydrophobicContact CG2-CE2 4.17Å; V67-F131 HydrophobicContact CG2-CG 3.71Å; V67-F131 HydrophobicContact CG2-CZ 4.22Å; L70-F131 HydrophobicContact CD2-CZ 4.23Å; L129-F131 HydrophobicContact CB-CD2 4.39Å; L129-F131 HydrophobicContact CB-CE2 3.67Å; L129-F131 HydrophobicContact CB-CZ 3.83Å; L129-F131 HydrophobicContact CD1-CE2 4.25Å; L129-F131 HydrophobicContact CD1-CZ 3.68Å; L129-F131 HydrophobicContact CG-CZ 4.45Å; F131-G135 WeakPolarHBondContact CD1-O 3.33Å; F131-T136 CarbonylContact C-O 3.35Å; F131-T136 VanDerWaalsContact CA-O 3.28Å; F131-T136 WeakPolarHBondContact CA-O 3.45Å |
| 132 | N | 95 | Very high | 93.1 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | trans | -76.9 | -179.2 | 169.8 | 72.3 | 7.7 | 0 | 0 | 0 | 111.6 | E134 G135 T136 V138 | N132-E134 VanDerWaalsContact CG-OE2 3.29Å; N132-E134 PolarHBondContact ND2-OE2 3.01Å; N132-E134 PolarHBondContact O-N 3.14Å; N132-E134 WeakPolarHBondContact OD1-CA 3.3Å; N132-E134 PolarHBondContact OD1-N 2.68Å; N132-E134 PolarHBondContact OD1-OE2 3.01Å; N132-G135 WeakPolarHBondContact O-CA 3.42Å; N132-G135 PolarHBondContact O-N 3.21Å; N132-G135 PolarHBondContact OD1-N 3.17Å; N132-G135 VanDerWaalsContact OD1-N 3.13Å; N132-T136 PolarHBondContact N-O 3.25Å; N132-T136 PolarHBondContact OD1-N 3.1Å; N132-T136 PolarHBondContact OD1-O 3Å; N132-V138 HydrophobicContact CB-CG1 3.78Å | ||
| 133 | N | 94.2 | Very high | 92.3 | Very high | 172 Ų | 172 | 57 Ų | 57 | 92% | 0.92 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.4 | -179.6 | -66.5 | -17.8 | 0 | 0 | 0 | 113.8 | ||
| 134 | E | 93.2 | Very high | 91.2 | Very high | 152 Ų | 152 | 56.8 Ų | 56.8 | 71% | 0.71 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 0.9 | 172.7 | -56.4 | 97.6 | -149.2 | 0 | 0 | 112.9 | N132 T136 | N132-E134 VanDerWaalsContact CG-OE2 3.29Å; N132-E134 PolarHBondContact ND2-OE2 3.01Å; N132-E134 PolarHBondContact O-N 3.14Å; N132-E134 WeakPolarHBondContact OD1-CA 3.3Å; N132-E134 PolarHBondContact OD1-N 2.68Å; N132-E134 PolarHBondContact OD1-OE2 3.01Å; E134-T136 VanDerWaalsContact C-N 3.33Å |
| 135 | G | 94 | Very high | 89.9 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 76.9 | 16.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N66 V67 F131 N132 | N66-G135 CarbonylContact C-O 3.49Å; N66-G135 WeakPolarHBondContact CA-O 3.22Å; N66-G135 WeakPolarHBondContact CB-O 3.39Å; V67-G135 PolarHBondContact N-O 3.14Å; F131-G135 WeakPolarHBondContact CD1-O 3.33Å; N132-G135 WeakPolarHBondContact O-CA 3.42Å; N132-G135 PolarHBondContact O-N 3.21Å; N132-G135 PolarHBondContact OD1-N 3.17Å; N132-G135 VanDerWaalsContact OD1-N 3.13Å |
| 136 | T | 93.9 | Very high | 88.8 | Confident | 45 Ų | 45 | 57 Ų | 57 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | -88.7 | 138.4 | 177.2 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | F131 N132 E134 V138 | F131-T136 CarbonylContact C-O 3.35Å; F131-T136 VanDerWaalsContact CA-O 3.28Å; F131-T136 WeakPolarHBondContact CA-O 3.45Å; N132-T136 PolarHBondContact N-O 3.25Å; N132-T136 PolarHBondContact OD1-N 3.1Å; N132-T136 PolarHBondContact OD1-O 3Å; E134-T136 VanDerWaalsContact C-N 3.33Å; T136-V138 PolarHBondContact O-N 3.37Å |
| 137 | Y | 93.2 | Very high | 87.4 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 131.5 | 176.4 | 167.8 | -100.3 | 0 | 0 | 0 | 110.9 | L60 L65 L129 G139 | L60-Y137 HydrophobicContact CB-CE1 3.86Å; L60-Y137 HydrophobicContact CB-CE2 4.19Å; L60-Y137 HydrophobicContact CD1-CE2 4.13Å; L65-Y137 VanDerWaalsContact O-CB 3.25Å; L65-Y137 WeakPolarHBondContact O-CB 3.23Å; L65-Y137 PolarHBondContact O-N 2.94Å; L129-Y137 HydrophobicContact CB-CD2 4.3Å; L129-Y137 HydrophobicContact CD2-CD2 3.81Å; L129-Y137 HydrophobicContact CD2-CE2 3.6Å; Y137-G139 WeakPolarHBondContact CE2-O 3.32Å |
| 138 | V | 93 | Very high | 86.4 | Confident | 86 Ų | 86 | 63.7 Ų | 63.7 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | -7.5 | 177.5 | -67.2 | 0 | 0 | 0 | 0 | 114.2 | I130 N132 T136 | I130-V138 HydrophobicContact CB-CG2 4.13Å; I130-V138 HydrophobicContact CG2-CG2 3.64Å; I130-V138 WeakPolarHBondContact O-CG2 3.38Å; I130-V138 PolarHBondContact O-N 2.98Å; N132-V138 HydrophobicContact CB-CG1 3.78Å; T136-V138 PolarHBondContact O-N 3.37Å |
| 139 | G | 91.8 | Very high | 85.3 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.5 | -179.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I130 Y137 | I130-G139 PolarHBondContact N-O 2.78Å; Y137-G139 WeakPolarHBondContact CE2-O 3.32Å |
| 140 | L | 89.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 150.2 | 171.2 | -73.8 | 168.5 | 0 | 0 | 0 | 110.4 | L56 E57 L60 N127 L129 I130 H142 | L56-L140 HydrophobicContact CD2-CD1 3.66Å; L56-L140 HydrophobicContact CG-CD1 3.89Å; E57-L140 HydrophobicContact CG-CD1 3.86Å; L60-L140 HydrophobicContact CD1-CD1 4.04Å; L60-L140 HydrophobicContact CD1-CD2 3.63Å; L60-L140 HydrophobicContact CD1-CG 3.87Å; N127-L140 HydrophobicContact CB-CD2 4.19Å; L129-L140 HydrophobicContact CD2-CD2 3.94Å; I130-L140 WeakPolarHBondContact CD1-O 3.17Å; L140-H142 PolarHBondContact O-CD2 2.83Å; L140-H142 PolarHBondContact O-N 2.89Å; L140-H142 VanDerWaalsContact O-N 3.14Å |
| 141 | D | 88.5 | Confident | 84.6 | Confident | 47 Ų | 47 | 61 Ų | 61 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | trans | -72.1 | 100.1 | 163.9 | -175 | -2.8 | 0 | 0 | 0 | 109.1 | K128 I130 D143 A144 | K128-D141 HydrophobicContact CB-CB 3.81Å; K128-D141 PolarHBondContact O-N 3.41Å; I130-D141 HydrophobicContact CG1-CB 4.38Å; D141-D143 PolarHBondContact O-N 3.05Å; D141-D143 WeakPolarHBondContact OD1-CB 3.29Å; D141-D143 PolarHBondContact OD1-N 3.19Å; D141-A144 WeakPolarHBondContact O-CB 3.47Å; D141-A144 PolarHBondContact O-N 3.42Å | ||
| 142 | H | 82.8 | Confident | 84.7 | Confident | 109 Ų | 109 | 58.8 Ų | 58.8 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.3 | -179.9 | -65.8 | -64 | 0 | 0 | 0 | 113.5 | E57 L140 A144 S147 | E57-H142 IonicContact OE1-CE1 3.41Å; E57-H142 PolarHBondContact OE1-CE1 2.8Å; E57-H142 IonicContact OE1-NE2 3.1Å; L140-H142 PolarHBondContact O-CD2 2.83Å; L140-H142 PolarHBondContact O-N 2.89Å; L140-H142 VanDerWaalsContact O-N 3.14Å; H142-A144 VanDerWaalsContact C-N 3.27Å; H142-S147 PolarHBondContact O-OG 2.89Å |
| 143 | D | 80.2 | Confident | 84.7 | Confident | 151 Ų | 151 | 57.4 Ų | 57.4 | 81% | 0.807 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15.3 | 173.1 | -64.3 | -30.7 | 0 | 0 | 0 | 111.1 | D141 P145 | D141-D143 PolarHBondContact O-N 3.05Å; D141-D143 WeakPolarHBondContact OD1-CB 3.29Å; D141-D143 PolarHBondContact OD1-N 3.19Å; D143-P145 WeakPolarHBondContact O-CD 3.47Å |
| 144 | A | 75.7 | Confident | 84.7 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -69 | 123.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | D141 H142 T146 S147 | D141-A144 WeakPolarHBondContact O-CB 3.47Å; D141-A144 PolarHBondContact O-N 3.42Å; H142-A144 VanDerWaalsContact C-N 3.27Å; A144-T146 PolarHBondContact O-N 2.92Å; A144-T146 VanDerWaalsContact O-N 3.14Å; A144-S147 VanDerWaalsContact O-CB 3.27Å; A144-S147 WeakPolarHBondContact O-CB 3.35Å; A144-S147 PolarHBondContact O-N 3.22Å; A144-S147 PolarHBondContact O-OG 2.89Å |
| 145 | P | 69.5 | Low | 84.9 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 27% | 0.266 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -59.9 | -31.5 | -174.8 | -28.9 | 37.6 | 0 | 0 | 0 | 114.2 | D143 S147 R148 G151 L154 I155 | D143-P145 WeakPolarHBondContact O-CD 3.47Å; P145-S147 PolarHBondContact O-N 3.09Å; P145-S147 VanDerWaalsContact O-N 3.15Å; P145-R148 PolarHBondContact O-N 3.14Å; P145-G151 WeakPolarHBondContact O-CA 3.13Å; P145-L154 HydrophobicContact CB-CB 4.3Å; P145-I155 HydrophobicContact CB-CD1 3.54Å; P145-I155 HydrophobicContact CB-CG1 4.06Å; P145-I155 HydrophobicContact CG-CD1 3.52Å |
| 146 | T | 72.6 | Confident | 85 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -70 | -3.7 | 178.7 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | V102 S103 A126 N127 A144 R148 I155 | V102-T146 HydrophobicContact CG1-CG2 4.43Å; S103-T146 WeakPolarHBondContact O-CB 3.46Å; S103-T146 WeakPolarHBondContact O-CG2 3.35Å; A126-T146 PolarHBondContact O-OG1 3.07Å; N127-T146 PolarHBondContact N-OG1 3.26Å; N127-T146 PolarHBondContact ND2-O 3.14Å; N127-T146 PolarHBondContact OD1-O 3.27Å; A144-T146 PolarHBondContact O-N 2.92Å; A144-T146 VanDerWaalsContact O-N 3.14Å; T146-R148 PolarHBondContact O-N 2.94Å; T146-I155 HydrophobicContact CG2-CG1 4.32Å |
| 147 | S | 66.5 | Low | 85.2 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -77.5 | 5.1 | 170.3 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | N53 N127 H142 A144 P145 | N53-S147 PolarHBondContact ND2-O 3.45Å; N53-S147 PolarHBondContact OD1-O 3.12Å; N127-S147 WeakPolarHBondContact OD1-CA 3.47Å; N127-S147 WeakPolarHBondContact OD1-CB 3.3Å; N127-S147 PolarHBondContact OD1-N 3.25Å; H142-S147 PolarHBondContact O-OG 2.89Å; A144-S147 VanDerWaalsContact O-CB 3.27Å; A144-S147 WeakPolarHBondContact O-CB 3.35Å; A144-S147 PolarHBondContact O-N 3.22Å; A144-S147 PolarHBondContact O-OG 2.89Å; P145-S147 PolarHBondContact O-N 3.09Å; P145-S147 VanDerWaalsContact O-N 3.15Å |
| 148 | R | 70.1 | Confident | 85.3 | Confident | 141 Ų | 141 | 48.9 Ų | 48.9 | 53% | 0.532 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -122.7 | 152.4 | -178.9 | -54.4 | 170.3 | 62.7 | 112.8 | -0.7 | 111.3 | P145 T146 D150 G151 | P145-R148 PolarHBondContact O-N 3.14Å; T146-R148 PolarHBondContact O-N 2.94Å; R148-D150 WeakPolarHBondContact CB-OD1 3.41Å; R148-D150 IonicContact NE-OD1 3.57Å; R148-D150 PolarHBondContact NE-OD1 3.18Å; R148-D150 PolarHBondContact O-N 2.98Å; R148-D150 VanDerWaalsContact O-N 3.12Å; R148-G151 PolarHBondContact O-N 3.46Å |
| 149 | S | 69.9 | Low | 85.5 | Confident | 69 Ų | 69 | 44.8 Ų | 44.8 | 48% | 0.483 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.8 | 178 | 59.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 150 | D | 80.8 | Confident | 85.8 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 34% | 0.342 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 8.2 | 175.8 | 60.7 | -20.3 | 0 | 0 | 0 | 113.1 | R148 K152 A153 L154 | R148-D150 WeakPolarHBondContact CB-OD1 3.41Å; R148-D150 IonicContact NE-OD1 3.57Å; R148-D150 PolarHBondContact NE-OD1 3.18Å; R148-D150 PolarHBondContact O-N 2.98Å; R148-D150 VanDerWaalsContact O-N 3.12Å; D150-K152 VanDerWaalsContact C-N 3.33Å; D150-K152 PolarHBondContact O-N 3.12Å; D150-A153 WeakPolarHBondContact O-CB 3.31Å; D150-A153 PolarHBondContact O-N 3.45Å; D150-L154 PolarHBondContact O-N 3.27Å |
| 151 | G | 90 | Very high | 86.1 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.1 | -41 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P145 R148 A153 L154 I155 | P145-G151 WeakPolarHBondContact O-CA 3.13Å; R148-G151 PolarHBondContact O-N 3.46Å; G151-A153 PolarHBondContact O-N 2.81Å; G151-L154 WeakPolarHBondContact O-CB 3.43Å; G151-L154 PolarHBondContact O-N 2.71Å; G151-I155 WeakPolarHBondContact O-CG1 3.43Å; G151-I155 PolarHBondContact O-N 2.85Å |
| 152 | K | 94.7 | Very high | 86.5 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 177 | -56.5 | -158.1 | 178.7 | -165.2 | 0 | 111.9 | D14 V102 D150 L154 I155 V156 M169 D176 A179 | D14-K152 IonicContact OD1-NZ 3.78Å; D14-K152 PolarHBondContact OD1-NZ 3.16Å; D14-K152 IonicContact OD2-NZ 3.31Å; V102-K152 HydrophobicContact CG1-CB 4.12Å; V102-K152 HydrophobicContact CG1-CD 4.44Å; V102-K152 HydrophobicContact CG1-CG 4Å; V102-K152 VanDerWaalsContact O-CE 3.23Å; V102-K152 WeakPolarHBondContact O-CE 3.34Å; V102-K152 PolarHBondContact O-NZ 3.2Å; D150-K152 VanDerWaalsContact C-N 3.33Å; D150-K152 PolarHBondContact O-N 3.12Å; K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 PolarHBondContact O-N 2.92Å; K152-I155 PolarHBondContact O-N 2.86Å; K152-V156 VanDerWaalsContact O-CG2 3.31Å; K152-V156 WeakPolarHBondContact O-CG2 3.48Å; K152-V156 PolarHBondContact O-N 2.76Å; K152-M169 HydrophobicContact CD-CE 3.78Å; K152-D176 WeakPolarHBondContact CD-OD1 3.24Å; K152-D176 WeakPolarHBondContact CE-OD1 3.38Å; K152-D176 IonicContact NZ-OD1 2.79Å; K152-D176 PolarHBondContact NZ-OD1 2.56Å; K152-A179 HydrophobicContact CB-CB 4.1Å |
| 153 | A | 95 | Very high | 87.1 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D150 G151 V156 N157 A179 P182 | D150-A153 WeakPolarHBondContact O-CB 3.31Å; D150-A153 PolarHBondContact O-N 3.45Å; G151-A153 PolarHBondContact O-N 2.81Å; A153-V156 PolarHBondContact O-N 2.96Å; A153-N157 WeakPolarHBondContact O-CB 3.21Å; A153-N157 PolarHBondContact O-N 3.07Å; A153-A179 HydrophobicContact CB-CB 4.33Å; A153-P182 WeakPolarHBondContact O-CG 3.35Å |
| 154 | L | 94.7 | Very high | 87.9 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.1 | -65.9 | 175 | 0 | 0 | 0 | 111.8 | P145 D150 G151 K152 N157 E158 | P145-L154 HydrophobicContact CB-CB 4.3Å; D150-L154 PolarHBondContact O-N 3.27Å; G151-L154 WeakPolarHBondContact O-CB 3.43Å; G151-L154 PolarHBondContact O-N 2.71Å; K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 PolarHBondContact O-N 2.92Å; L154-N157 WeakPolarHBondContact O-CB 3.47Å; L154-N157 PolarHBondContact O-N 3.3Å; L154-E158 PolarHBondContact O-N 3.5Å |
| 155 | I | 96 | Very high | 88.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.9 | -65.3 | -51.5 | 0 | 0 | 0 | 111.2 | V102 Y125 P145 T146 G151 K152 N157 E158 L159 | V102-I155 HydrophobicContact CG1-CB 3.98Å; V102-I155 HydrophobicContact CG1-CG1 4.19Å; V102-I155 HydrophobicContact CG1-CG2 3.97Å; V102-I155 HydrophobicContact CG2-CG2 3.81Å; Y125-I155 HydrophobicContact CD1-CD1 3.35Å; Y125-I155 HydrophobicContact CD1-CG1 4Å; Y125-I155 HydrophobicContact CD1-CG2 4.04Å; Y125-I155 HydrophobicContact CD2-CG2 3.6Å; Y125-I155 HydrophobicContact CE1-CD1 3.73Å; Y125-I155 HydrophobicContact CE1-CG2 4.26Å; Y125-I155 HydrophobicContact CE2-CG2 3.84Å; Y125-I155 HydrophobicContact CG-CD1 3.96Å; Y125-I155 HydrophobicContact CG-CG1 4.09Å; Y125-I155 HydrophobicContact CG-CG2 3.69Å; P145-I155 HydrophobicContact CB-CD1 3.54Å; P145-I155 HydrophobicContact CB-CG1 4.06Å; P145-I155 HydrophobicContact CG-CD1 3.52Å; T146-I155 HydrophobicContact CG2-CG1 4.32Å; G151-I155 WeakPolarHBondContact O-CG1 3.43Å; G151-I155 PolarHBondContact O-N 2.85Å; K152-I155 PolarHBondContact O-N 2.86Å; I155-N157 VanDerWaalsContact C-N 3.27Å; I155-N157 PolarHBondContact O-N 3.37Å; I155-E158 WeakPolarHBondContact O-CB 3.34Å; I155-E158 PolarHBondContact O-N 3.19Å; I155-E158 VanDerWaalsContact O-N 3.11Å; I155-L159 HydrophobicContact CG2-CD1 3.96Å; I155-L159 HydrophobicContact CG2-CG 4.32Å; I155-L159 WeakPolarHBondContact O-CG 3.41Å; I155-L159 PolarHBondContact O-N 3.49Å |
| 156 | V | 97.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 176.8 | 173 | 0 | 0 | 0 | 0 | 110.9 | K152 A153 L159 L160 V167 M169 A179 P182 A183 | K152-V156 VanDerWaalsContact O-CG2 3.31Å; K152-V156 WeakPolarHBondContact O-CG2 3.48Å; K152-V156 PolarHBondContact O-N 2.76Å; A153-V156 PolarHBondContact O-N 2.96Å; V156-L159 PolarHBondContact O-N 2.73Å; V156-L160 HydrophobicContact CG1-CD1 4.01Å; V156-L160 WeakPolarHBondContact O-CG 3.3Å; V156-L160 PolarHBondContact O-N 3.33Å; V156-V167 HydrophobicContact CG1-CB 4Å; V156-V167 HydrophobicContact CG1-CG1 3.89Å; V156-V167 HydrophobicContact CG2-CG1 4.35Å; V156-M169 HydrophobicContact CG2-SD 4.49Å; V156-A179 HydrophobicContact CG2-CB 4.23Å; V156-P182 HydrophobicContact CB-CG 4.16Å; V156-P182 HydrophobicContact CG1-CG 3.9Å; V156-A183 HydrophobicContact CG1-CB 3.85Å |
| 157 | N | 96.8 | Very high | 91.4 | Very high | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 175 | -169.6 | 60.9 | 0 | 0 | 0 | 112.3 | A153 L154 I155 L160 N161 P182 | A153-N157 WeakPolarHBondContact O-CB 3.21Å; A153-N157 PolarHBondContact O-N 3.07Å; L154-N157 WeakPolarHBondContact O-CB 3.47Å; L154-N157 PolarHBondContact O-N 3.3Å; I155-N157 VanDerWaalsContact C-N 3.27Å; I155-N157 PolarHBondContact O-N 3.37Å; N157-L160 PolarHBondContact O-N 3.07Å; N157-N161 PolarHBondContact ND2-ND2 3.42Å; N157-N161 PolarHBondContact O-N 2.6Å; N157-N161 VanDerWaalsContact O-N 3.12Å; N157-N161 PolarHBondContact O-ND2 2.87Å; N157-P182 HydrophobicContact CB-CG 3.91Å |
| 158 | E | 96 | Very high | 92.9 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 176 | -172.1 | -174.4 | 147.1 | 0 | 0 | 111.1 | L154 I155 L160 N161 K162 | L154-E158 PolarHBondContact O-N 3.5Å; I155-E158 WeakPolarHBondContact O-CB 3.34Å; I155-E158 PolarHBondContact O-N 3.19Å; I155-E158 VanDerWaalsContact O-N 3.11Å; E158-L160 PolarHBondContact O-N 3.14Å; E158-N161 PolarHBondContact O-N 3.05Å; E158-K162 WeakPolarHBondContact O-CB 3.27Å; E158-K162 PolarHBondContact O-N 3.16Å |
| 159 | L | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 179 | -67.8 | 174.6 | 0 | 0 | 0 | 112.4 | C12 Y100 Y125 I155 V156 N161 K162 L163 V167 | C12-L159 WeakPolarHBondContact SG-CD1 3.32Å; Y100-L159 HydrophobicContact CD1-CD1 4.01Å; Y100-L159 HydrophobicContact CD1-CD2 3.93Å; Y100-L159 HydrophobicContact CD2-CD1 4.23Å; Y100-L159 HydrophobicContact CE1-CD1 4.35Å; Y100-L159 HydrophobicContact CE1-CD2 3.45Å; Y100-L159 VanDerWaalsContact CE1-CD2 3.45Å; Y100-L159 HydrophobicContact CE2-CD2 4.25Å; Y100-L159 HydrophobicContact CG-CD1 3.93Å; Y100-L159 HydrophobicContact CG-CD2 4.48Å; Y125-L159 HydrophobicContact CE2-CD1 4.43Å; Y125-L159 HydrophobicContact CE2-CD2 4.22Å; I155-L159 HydrophobicContact CG2-CD1 3.96Å; I155-L159 HydrophobicContact CG2-CG 4.32Å; I155-L159 WeakPolarHBondContact O-CG 3.41Å; I155-L159 PolarHBondContact O-N 3.49Å; V156-L159 PolarHBondContact O-N 2.73Å; L159-N161 VanDerWaalsContact C-N 3.33Å; L159-N161 PolarHBondContact O-N 3.36Å; L159-K162 PolarHBondContact O-N 3.15Å; L159-L163 HydrophobicContact CB-CD1 4.45Å; L159-L163 HydrophobicContact CD2-CD1 4.33Å; L159-L163 VanDerWaalsContact O-CB 3.3Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 WeakPolarHBondContact O-CG 3.1Å; L159-L163 PolarHBondContact O-N 3.38Å; L159-V167 HydrophobicContact CB-CG2 4.2Å |
| 160 | L | 97 | Very high | 95.7 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 173.4 | -77.4 | 161.6 | 0 | 0 | 0 | 111.6 | V156 N157 E158 H164 T165 V167 P182 | V156-L160 HydrophobicContact CG1-CD1 4.01Å; V156-L160 WeakPolarHBondContact O-CG 3.3Å; V156-L160 PolarHBondContact O-N 3.33Å; N157-L160 PolarHBondContact O-N 3.07Å; E158-L160 PolarHBondContact O-N 3.14Å; L160-H164 WeakPolarHBondContact O-CA 3.46Å; L160-H164 PolarHBondContact O-N 3.24Å; L160-T165 WeakPolarHBondContact CD2-O 3.19Å; L160-V167 HydrophobicContact CD2-CB 4.23Å; L160-V167 HydrophobicContact CD2-CG2 3.8Å; L160-V167 HydrophobicContact CG-CB 4.29Å; L160-V167 HydrophobicContact CG-CG2 3.73Å; L160-P182 HydrophobicContact CD1-CB 3.68Å; L160-P182 HydrophobicContact CD1-CG 4.2Å; L160-P182 VanDerWaalsContact CD1-O 3.23Å; L160-P182 WeakPolarHBondContact CD1-O 3.25Å |
| 161 | N | 96.9 | Very high | 96.5 | Very high | 102 Ų | 102 | 37.7 Ų | 37.7 | 55% | 0.545 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -70.4 | -33.7 | 179.7 | -69.9 | -47.9 | 0 | 0 | 0 | 112.7 | N157 E158 L159 H164 | N157-N161 PolarHBondContact ND2-ND2 3.42Å; N157-N161 PolarHBondContact O-N 2.6Å; N157-N161 VanDerWaalsContact O-N 3.12Å; N157-N161 PolarHBondContact O-ND2 2.87Å; E158-N161 PolarHBondContact O-N 3.05Å; L159-N161 VanDerWaalsContact C-N 3.33Å; L159-N161 PolarHBondContact O-N 3.36Å; N161-H164 PolarHBondContact O-CE1 3.24Å; N161-H164 PolarHBondContact O-NE2 2.81Å |
| 162 | K | 96.3 | Very high | 96.9 | Very high | 114 Ų | 114 | 37.9 Ų | 37.9 | 50% | 0.496 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -75.7 | -49.4 | 179.8 | -178.5 | -176 | 175.3 | -171.4 | 0 | 111.7 | E158 L159 H164 | E158-K162 WeakPolarHBondContact O-CB 3.27Å; E158-K162 PolarHBondContact O-N 3.16Å; L159-K162 PolarHBondContact O-N 3.15Å; K162-H164 PolarHBondContact O-ND1 3.46Å |
| 163 | L | 96.2 | Very high | 96.8 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -94.1 | -17 | -168.3 | -56.4 | 177 | 0 | 0 | 0 | 113.3 | C10 Y100 L159 T165 | C10-L163 HydrophobicContact CB-CD1 3.89Å; Y100-L163 HydrophobicContact CE2-CD1 3.94Å; L159-L163 HydrophobicContact CB-CD1 4.45Å; L159-L163 HydrophobicContact CD2-CD1 4.33Å; L159-L163 VanDerWaalsContact O-CB 3.3Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 WeakPolarHBondContact O-CG 3.1Å; L159-L163 PolarHBondContact O-N 3.38Å; L163-T165 HydrophobicContact CB-CG2 3.77Å; L163-T165 PolarHBondContact O-N 2.85Å; L163-T165 VanDerWaalsContact O-N 3.15Å |
| 164 | H | 95.6 | Very high | 96.7 | Very high | 165 Ų | 165 | 39.6 Ų | 39.6 | 76% | 0.764 | 20% | 0.2 | S | C | * | . | trans | 54.7 | 31.2 | -179.8 | -53.6 | 83.4 | 0 | 0 | 0 | 113.5 | L160 N161 K162 | L160-H164 WeakPolarHBondContact O-CA 3.46Å; L160-H164 PolarHBondContact O-N 3.24Å; N161-H164 PolarHBondContact O-CE1 3.24Å; N161-H164 PolarHBondContact O-NE2 2.81Å; K162-H164 PolarHBondContact O-ND1 3.46Å | ||
| 165 | T | 95.8 | Very high | 96.5 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 13% | 0.129 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -129.3 | 146.9 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | N7 K9 C10 L160 L163 | N7-T165 PolarHBondContact O-OG1 2.72Å; K9-T165 HydrophobicContact CB-CG2 4.15Å; K9-T165 PolarHBondContact N-OG1 3.47Å; C10-T165 HydrophobicContact CB-CG2 4Å; L160-T165 WeakPolarHBondContact CD2-O 3.19Å; L163-T165 HydrophobicContact CB-CG2 3.77Å; L163-T165 PolarHBondContact O-N 2.85Å; L163-T165 VanDerWaalsContact O-N 3.15Å |
| 166 | P | 97.9 | Very high | 96.5 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | trans | -50.7 | 140.6 | 168.8 | -29.1 | 38 | 0 | 0 | 0 | 112.1 | I8 S184 | I8-P166 HydrophobicContact CG1-CB 4.02Å; I8-P166 WeakPolarHBondContact CG2-O 3.36Å; P166-S184 WeakPolarHBondContact CB-OG 3.42Å | ||
| 167 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.9 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | C10 C12 V156 L159 L160 S184 | C10-V167 HydrophobicContact CB-CG2 4.01Å; C10-V167 WeakPolarHBondContact O-CA 3.37Å; C12-V167 HydrophobicContact CB-CG1 4.47Å; V156-V167 HydrophobicContact CG1-CB 4Å; V156-V167 HydrophobicContact CG1-CG1 3.89Å; V156-V167 HydrophobicContact CG2-CG1 4.35Å; L159-V167 HydrophobicContact CB-CG2 4.2Å; L160-V167 HydrophobicContact CD2-CB 4.23Å; L160-V167 HydrophobicContact CD2-CG2 3.8Å; L160-V167 HydrophobicContact CG-CB 4.29Å; L160-V167 HydrophobicContact CG-CG2 3.73Å; V167-S184 PolarHBondContact O-N 3.42Å |
| 168 | M | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 134.6 | 169.1 | 176.1 | 179.8 | -72.5 | 0 | 0 | 109.9 | W5 I8 C10 V11 C12 I170 V185 I187 L216 M221 | W5-M168 HydrophobicContact CD2-CE 3.9Å; W5-M168 HydrophobicContact CE3-CE 3.41Å; W5-M168 VanDerWaalsContact CE3-CE 3.41Å; W5-M168 HydrophobicContact CH2-CE 4.34Å; W5-M168 HydrophobicContact CZ3-CE 3.67Å; I8-M168 HydrophobicContact CD1-CB 4.48Å; I8-M168 HydrophobicContact CD1-CE 3.93Å; I8-M168 HydrophobicContact CG2-CB 3.95Å; C10-M168 PolarHBondContact O-N 3.35Å; V11-M168 WeakPolarHBondContact CA-O 3.5Å; V11-M168 HydrophobicContact CG2-CB 4.26Å; V11-M168 HydrophobicContact CG2-SD 4.48Å; C12-M168 PolarHBondContact N-O 3.41Å; M168-I170 HydrophobicContact CG-CD1 4.43Å; M168-I170 HydrophobicContact CG-CG1 3.99Å; M168-I170 HydrophobicContact SD-CD1 3.92Å; M168-I170 HydrophobicContact SD-CG1 4.08Å; M168-V185 WeakPolarHBondContact CA-O 3.33Å; M168-V185 HydrophobicContact CE-CB 4.12Å; M168-V185 HydrophobicContact CE-CG1 4.02Å; M168-V185 HydrophobicContact CG-CB 4.35Å; M168-I187 HydrophobicContact CE-CD1 3.96Å; M168-I187 HydrophobicContact SD-CD1 3.57Å; M168-I187 VanDerWaalsContact SD-CD1 3.57Å; M168-I187 HydrophobicContact SD-CG1 4.3Å; M168-L216 HydrophobicContact CE-CD2 3.98Å; M168-L216 HydrophobicContact SD-CD2 3.81Å; M168-M221 HydrophobicContact CE-CE 4.3Å; M168-M221 HydrophobicContact CE-SD 3.53Å; M168-M221 VanDerWaalsContact CE-SD 3.53Å; M168-M221 HydrophobicContact SD-CE 4.22Å; M168-M221 HydrophobicContact SD-SD 4.05Å |
| 169 | M | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.8 | 170.7 | -173.2 | 65.9 | -165.5 | 0 | 0 | 109.9 | C12 D14 K152 V156 D176 A179 A183 V185 F186 I187 | C12-M169 HydrophobicContact CB-SD 3.52Å; C12-M169 VanDerWaalsContact CB-SD 3.52Å; D14-M169 HydrophobicContact CB-CE 4.24Å; K152-M169 HydrophobicContact CD-CE 3.78Å; V156-M169 HydrophobicContact CG2-SD 4.49Å; M169-D176 HydrophobicContact CE-CB 3.82Å; M169-D176 WeakPolarHBondContact CE-OD1 3.44Å; M169-D176 HydrophobicContact CG-CB 4.14Å; M169-A179 HydrophobicContact CG-CB 4.19Å; M169-A183 HydrophobicContact CB-CB 4.1Å; M169-V185 PolarHBondContact N-O 3.12Å; M169-F186 HydrophobicContact CB-CD2 4.15Å; M169-F186 HydrophobicContact CG-CD2 4.12Å; M169-F186 VanDerWaalsContact O-CA 3.32Å; M169-F186 WeakPolarHBondContact O-CA 3.36Å; M169-F186 WeakPolarHBondContact O-CD2 3.4Å; M169-I187 PolarHBondContact O-N 3.43Å |
| 170 | I | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126.2 | 174.4 | -50.3 | -179.4 | 0 | 0 | 0 | 108.4 | V11 C12 L13 D14 F92 M168 I187 F189 L212 | V11-I170 HydrophobicContact CG1-CD1 3.88Å; V11-I170 HydrophobicContact CG1-CG1 4.25Å; C12-I170 PolarHBondContact O-N 2.81Å; L13-I170 HydrophobicContact CD2-CB 3.79Å; L13-I170 HydrophobicContact CD2-CD1 3.86Å; L13-I170 HydrophobicContact CD2-CG1 4.15Å; L13-I170 HydrophobicContact CD2-CG2 4.39Å; D14-I170 PolarHBondContact N-O 3.25Å; F92-I170 HydrophobicContact CZ-CD1 4.15Å; M168-I170 HydrophobicContact CG-CD1 4.43Å; M168-I170 HydrophobicContact CG-CG1 3.99Å; M168-I170 HydrophobicContact SD-CD1 3.92Å; M168-I170 HydrophobicContact SD-CG1 4.08Å; I170-I187 WeakPolarHBondContact CA-O 3.32Å; I170-I187 HydrophobicContact CD1-CD1 4.42Å; I170-I187 HydrophobicContact CG1-CB 4.32Å; I170-I187 HydrophobicContact CG1-CD1 4.49Å; I170-I187 HydrophobicContact CG2-CB 4.47Å; I170-F189 HydrophobicContact CG2-CB 3.8Å; I170-F189 HydrophobicContact CG2-CD1 4.18Å; I170-F189 HydrophobicContact CG2-CG 4.2Å; I170-L212 HydrophobicContact CD1-CD1 4.25Å; I170-L212 HydrophobicContact CD1-CD2 4.21Å; I170-L212 HydrophobicContact CG2-CD2 4.14Å |
| 171 | G | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | 166.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I187 G188 F189 | G171-I187 PolarHBondContact N-O 3.16Å; G171-G188 CarbonylContact O-C 3.51Å; G171-G188 WeakPolarHBondContact O-CA 3.47Å; G171-F189 PolarHBondContact O-N 3.14Å |
| 172 | D | 97.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -89.1 | -17.4 | -176.5 | 86.2 | -43.1 | 0 | 0 | 0 | 113.1 | S17 T18 F189 R195 V198 | S17-D172 WeakPolarHBondContact CB-OD2 3.48Å; T18-D172 PolarHBondContact OG1-N 2.97Å; D172-F189 WeakPolarHBondContact CB-O 3.37Å; D172-R195 VanDerWaalsContact O-CD 3.32Å; D172-R195 WeakPolarHBondContact O-CD 3.4Å; D172-R195 IonicContact OD1-NE 2.67Å; D172-R195 IonicContact OD1-NH2 2.6Å; D172-R195 IonicContact OD2-CZ 3.7Å; D172-R195 IonicContact OD2-NE 2.81Å; D172-R195 PolarHBondContact OD2-NE 3.25Å; D172-R195 IonicContact OD2-NH2 2.59Å; D172-R195 PolarHBondContact OD2-NH2 3.5Å; D172-V198 WeakPolarHBondContact O-CG2 3.24Å |
| 173 | G | 93.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 36 Ų | 36 | 6% | 0.062 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -102 | 168.2 | -162 | 0 | 0 | 0 | 0 | 0 | 115.7 | T175 D176 A177 | G173-T175 VanDerWaalsContact C-N 3.34Å; G173-D176 WeakPolarHBondContact CA-OD2 3.37Å; G173-D176 PolarHBondContact N-OD2 2.79Å; G173-D176 PolarHBondContact O-N 3.24Å; G173-A177 PolarHBondContact O-N 3.48Å |
| 174 | M | 92.1 | Very high | 96.5 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73.7 | -28 | 176.6 | -174.4 | 58.8 | 59.8 | 0 | 0 | 112.1 | D176 A177 K178 K197 V198 I201 | M174-D176 VanDerWaalsContact C-N 3.3Å; M174-A177 HydrophobicContact SD-CB 4.42Å; M174-K178 HydrophobicContact CG-CD 4.24Å; M174-K178 HydrophobicContact CG-CG 4.49Å; M174-K178 WeakPolarHBondContact O-CB 3.47Å; M174-K178 WeakPolarHBondContact O-CG 3.38Å; M174-K178 PolarHBondContact O-N 3.2Å; M174-K178 HydrophobicContact SD-CG 4.48Å; M174-K197 HydrophobicContact CE-CB 3.86Å; M174-V198 HydrophobicContact CB-CG2 4.45Å; M174-V198 HydrophobicContact CE-CG2 4.1Å; M174-I201 HydrophobicContact CE-CD1 3.83Å; M174-I201 HydrophobicContact SD-CD1 3.77Å |
| 175 | T | 91.3 | Very high | 96.6 | Very high | 59 Ų | 59 | 29.8 Ų | 29.8 | 36% | 0.362 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.1 | -34.1 | 174.6 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | G173 A179 | G173-T175 VanDerWaalsContact C-N 3.34Å; T175-A179 PolarHBondContact O-N 3.47Å |
| 176 | D | 95.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.8 | -48.1 | 174.3 | -45.6 | -64.4 | 0 | 0 | 0 | 111.2 | D14 K152 M169 G173 M174 K178 A179 F186 | D14-D176 WeakPolarHBondContact CB-OD1 3.4Å; K152-D176 WeakPolarHBondContact CD-OD1 3.24Å; K152-D176 WeakPolarHBondContact CE-OD1 3.38Å; K152-D176 IonicContact NZ-OD1 2.79Å; K152-D176 PolarHBondContact NZ-OD1 2.56Å; M169-D176 HydrophobicContact CE-CB 3.82Å; M169-D176 WeakPolarHBondContact CE-OD1 3.44Å; M169-D176 HydrophobicContact CG-CB 4.14Å; G173-D176 WeakPolarHBondContact CA-OD2 3.37Å; G173-D176 PolarHBondContact N-OD2 2.79Å; G173-D176 PolarHBondContact O-N 3.24Å; M174-D176 VanDerWaalsContact C-N 3.3Å; D176-K178 VanDerWaalsContact C-N 3.26Å; D176-K178 PolarHBondContact O-N 2.61Å; D176-A179 VanDerWaalsContact O-CB 3.31Å; D176-A179 WeakPolarHBondContact O-CB 3.44Å; D176-A179 PolarHBondContact O-N 2.87Å; D176-F186 HydrophobicContact CB-CD2 4.34Å; D176-F186 HydrophobicContact CB-CE2 3.53Å; D176-F186 HydrophobicContact CB-CZ 4.12Å |
| 177 | A | 96.1 | Very high | 96.8 | Very high | 9 Ų | 9 | 28 Ų | 28 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.7 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G173 M174 A179 C180 F186 I201 | G173-A177 PolarHBondContact O-N 3.48Å; M174-A177 HydrophobicContact SD-CB 4.42Å; A177-A179 PolarHBondContact O-N 3.49Å; A177-C180 PolarHBondContact O-N 3.05Å; A177-C180 VanDerWaalsContact O-N 3.12Å; A177-F186 VanDerWaalsContact CA-CE1 3.48Å; A177-F186 HydrophobicContact CB-CD1 3.87Å; A177-F186 HydrophobicContact CB-CE1 3.36Å; A177-F186 HydrophobicContact CB-CE2 4.49Å; A177-F186 HydrophobicContact CB-CZ 3.74Å; A177-I201 HydrophobicContact CB-CD1 3.77Å |
| 178 | K | 94.7 | Very high | 96.8 | Very high | 143 Ų | 143 | 28 Ų | 28 | 62% | 0.622 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.5 | 177.3 | -75.9 | 174.9 | 177.5 | -178.7 | 0 | 114.2 | M174 D176 C180 | M174-K178 HydrophobicContact CG-CD 4.24Å; M174-K178 HydrophobicContact CG-CG 4.49Å; M174-K178 WeakPolarHBondContact O-CB 3.47Å; M174-K178 WeakPolarHBondContact O-CG 3.38Å; M174-K178 PolarHBondContact O-N 3.2Å; M174-K178 HydrophobicContact SD-CG 4.48Å; D176-K178 VanDerWaalsContact C-N 3.26Å; D176-K178 PolarHBondContact O-N 2.61Å; K178-C180 PolarHBondContact O-N 3.46Å |
| 179 | A | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 0.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K152 A153 V156 M169 T175 D176 A177 P181 P182 A183 | K152-A179 HydrophobicContact CB-CB 4.1Å; A153-A179 HydrophobicContact CB-CB 4.33Å; V156-A179 HydrophobicContact CG2-CB 4.23Å; M169-A179 HydrophobicContact CG-CB 4.19Å; T175-A179 PolarHBondContact O-N 3.47Å; D176-A179 VanDerWaalsContact O-CB 3.31Å; D176-A179 WeakPolarHBondContact O-CB 3.44Å; D176-A179 PolarHBondContact O-N 2.87Å; A177-A179 PolarHBondContact O-N 3.49Å; A179-P181 VanDerWaalsContact C-C 3.43Å; A179-P181 CarbonylContact C-O 3.57Å; A179-P181 VanDerWaalsContact C-O 3.25Å; A179-P181 CarbonylContact O-C 3.38Å; A179-P182 VanDerWaalsContact O-CD 3.22Å; A179-P182 WeakPolarHBondContact O-CD 3.46Å; A179-A183 WeakPolarHBondContact O-CB 3.4Å; A179-A183 PolarHBondContact O-N 3.08Å |
| 180 | C | 97.5 | Very high | 96.7 | Very high | 43 Ų | 43 | 28.3 Ų | 28.3 | 29% | 0.291 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 102 | 174.6 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | A177 K178 A183 F186 | A177-C180 PolarHBondContact O-N 3.05Å; A177-C180 VanDerWaalsContact O-N 3.12Å; K178-C180 PolarHBondContact O-N 3.46Å; C180-A183 HydrophobicContact CB-CB 3.93Å; C180-A183 PolarHBondContact SG-O 3.37Å; C180-F186 HydrophobicContact CB-CB 3.54Å |
| 181 | P | 97.2 | Very high | 96.7 | Very high | 111 Ų | 111 | 30 Ų | 30 | 72% | 0.721 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -70.7 | 158.9 | -0.2 | 30.8 | -36 | 0 | 0 | 0 | 113.1 | A179 | A179-P181 VanDerWaalsContact C-C 3.43Å; A179-P181 CarbonylContact C-O 3.57Å; A179-P181 VanDerWaalsContact C-O 3.25Å; A179-P181 CarbonylContact O-C 3.38Å |
| 182 | P | 97 | Very high | 96.7 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 25% | 0.253 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.1 | -8.2 | 14.8 | 34.7 | -35.1 | 0 | 0 | 0 | 115.7 | A153 V156 N157 L160 A179 | A153-P182 WeakPolarHBondContact O-CG 3.35Å; V156-P182 HydrophobicContact CB-CG 4.16Å; V156-P182 HydrophobicContact CG1-CG 3.9Å; N157-P182 HydrophobicContact CB-CG 3.91Å; L160-P182 HydrophobicContact CD1-CB 3.68Å; L160-P182 HydrophobicContact CD1-CG 4.2Å; L160-P182 VanDerWaalsContact CD1-O 3.23Å; L160-P182 WeakPolarHBondContact CD1-O 3.25Å; A179-P182 VanDerWaalsContact O-CD 3.22Å; A179-P182 WeakPolarHBondContact O-CD 3.46Å |
| 183 | A | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -52.5 | 147.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V156 M169 A179 C180 | V156-A183 HydrophobicContact CG1-CB 3.85Å; M169-A183 HydrophobicContact CB-CB 4.1Å; A179-A183 WeakPolarHBondContact O-CB 3.4Å; A179-A183 PolarHBondContact O-N 3.08Å; C180-A183 HydrophobicContact CB-CB 3.93Å; C180-A183 PolarHBondContact SG-O 3.37Å |
| 184 | S | 97.7 | Very high | 96.7 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 48% | 0.476 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -81.6 | -27.1 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | P166 V167 | P166-S184 WeakPolarHBondContact CB-OG 3.42Å; V167-S184 PolarHBondContact O-N 3.42Å |
| 185 | V | 98 | Very high | 96.9 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 138.1 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | W5 I8 M168 M169 I187 Y204 | W5-V185 HydrophobicContact CH2-CG1 4.04Å; W5-V185 HydrophobicContact CZ2-CG1 3.73Å; W5-V185 HydrophobicContact CZ2-CG2 4.27Å; I8-V185 HydrophobicContact CD1-CG2 3.92Å; M168-V185 WeakPolarHBondContact CA-O 3.33Å; M168-V185 HydrophobicContact CE-CB 4.12Å; M168-V185 HydrophobicContact CE-CG1 4.02Å; M168-V185 HydrophobicContact CG-CB 4.35Å; M169-V185 PolarHBondContact N-O 3.12Å; V185-I187 HydrophobicContact CG1-CG1 4.24Å; V185-Y204 HydrophobicContact CG1-CD2 4.22Å; V185-Y204 HydrophobicContact CG1-CE2 4.42Å |
| 186 | F | 98.4 | Very high | 97.1 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.9 | 164.5 | 170.1 | -117.9 | 0 | 0 | 0 | 109.9 | M169 D176 A177 C180 V198 S202 | M169-F186 HydrophobicContact CB-CD2 4.15Å; M169-F186 HydrophobicContact CG-CD2 4.12Å; M169-F186 VanDerWaalsContact O-CA 3.32Å; M169-F186 WeakPolarHBondContact O-CA 3.36Å; M169-F186 WeakPolarHBondContact O-CD2 3.4Å; D176-F186 HydrophobicContact CB-CD2 4.34Å; D176-F186 HydrophobicContact CB-CE2 3.53Å; D176-F186 HydrophobicContact CB-CZ 4.12Å; A177-F186 VanDerWaalsContact CA-CE1 3.48Å; A177-F186 HydrophobicContact CB-CD1 3.87Å; A177-F186 HydrophobicContact CB-CE1 3.36Å; A177-F186 HydrophobicContact CB-CE2 4.49Å; A177-F186 HydrophobicContact CB-CZ 3.74Å; C180-F186 HydrophobicContact CB-CB 3.54Å; F186-V198 HydrophobicContact CE1-CG1 3.86Å; F186-V198 HydrophobicContact CZ-CG1 3.8Å; F186-S202 WeakPolarHBondContact CE1-OG 3.42Å |
| 187 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 116 | 169.5 | -54.7 | 174.3 | 0 | 0 | 0 | 107.9 | W5 M168 M169 I170 G171 V185 F189 L212 L215 L216 | W5-I187 HydrophobicContact CH2-CD1 4.29Å; W5-I187 HydrophobicContact CZ3-CD1 4.04Å; M168-I187 HydrophobicContact CE-CD1 3.96Å; M168-I187 HydrophobicContact SD-CD1 3.57Å; M168-I187 VanDerWaalsContact SD-CD1 3.57Å; M168-I187 HydrophobicContact SD-CG1 4.3Å; M169-I187 PolarHBondContact O-N 3.43Å; I170-I187 WeakPolarHBondContact CA-O 3.32Å; I170-I187 HydrophobicContact CD1-CD1 4.42Å; I170-I187 HydrophobicContact CG1-CB 4.32Å; I170-I187 HydrophobicContact CG1-CD1 4.49Å; I170-I187 HydrophobicContact CG2-CB 4.47Å; G171-I187 PolarHBondContact N-O 3.16Å; V185-I187 HydrophobicContact CG1-CG1 4.24Å; I187-F189 PolarHBondContact O-N 3.43Å; I187-L212 HydrophobicContact CD1-CD1 3.75Å; I187-L212 HydrophobicContact CG2-CD1 4.04Å; I187-L215 HydrophobicContact CD1-CD2 3.98Å; I187-L215 HydrophobicContact CG1-CD2 4.43Å; I187-L215 HydrophobicContact CG2-CD2 4.28Å; I187-L216 HydrophobicContact CD1-CD2 4.2Å |
| 188 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G171 Y204 F205 C206 | G171-G188 CarbonylContact O-C 3.51Å; G171-G188 WeakPolarHBondContact O-CA 3.47Å; G188-Y204 PolarHBondContact N-O 3.46Å; G188-F205 CarbonylContact O-C 3.58Å; G188-F205 VanDerWaalsContact O-CA 3.26Å; G188-F205 WeakPolarHBondContact O-CA 3.48Å; G188-F205 WeakPolarHBondContact O-CD2 3.29Å; G188-C206 PolarHBondContact O-N 3.35Å |
| 189 | F | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 85.8 | -173.9 | -164.7 | -149.1 | 0 | 0 | 0 | 112 | T18 I170 G171 D172 I187 V191 C206 S208 V209 L212 | T18-F189 HydrophobicContact CG2-CD1 3.96Å; I170-F189 HydrophobicContact CG2-CB 3.8Å; I170-F189 HydrophobicContact CG2-CD1 4.18Å; I170-F189 HydrophobicContact CG2-CG 4.2Å; G171-F189 PolarHBondContact O-N 3.14Å; D172-F189 WeakPolarHBondContact CB-O 3.37Å; I187-F189 PolarHBondContact O-N 3.43Å; F189-V191 HydrophobicContact CD1-CB 4.39Å; F189-V191 HydrophobicContact CD1-CG1 3.75Å; F189-V191 HydrophobicContact CD2-CB 4.03Å; F189-V191 HydrophobicContact CD2-CG1 4.26Å; F189-V191 HydrophobicContact CE1-CB 4Å; F189-V191 HydrophobicContact CE1-CG1 3.5Å; F189-V191 VanDerWaalsContact CE1-CG1 3.5Å; F189-V191 HydrophobicContact CE2-CB 3.6Å; F189-V191 HydrophobicContact CE2-CG1 4.03Å; F189-V191 HydrophobicContact CE2-CG2 4.25Å; F189-V191 HydrophobicContact CG-CB 4.4Å; F189-V191 HydrophobicContact CG-CG1 4.12Å; F189-V191 HydrophobicContact CZ-CB 3.57Å; F189-V191 HydrophobicContact CZ-CG1 3.64Å; F189-V191 HydrophobicContact CZ-CG2 3.97Å; F189-V191 PolarHBondContact O-N 2.9Å; F189-V191 VanDerWaalsContact O-N 3.11Å; F189-C206 HydrophobicContact CD2-CB 3.91Å; F189-C206 HydrophobicContact CE2-CB 4.19Å; F189-S208 WeakPolarHBondContact CE2-O 3.45Å; F189-V209 HydrophobicContact CE1-CG2 4.4Å; F189-V209 HydrophobicContact CZ-CB 4.47Å; F189-V209 HydrophobicContact CZ-CG2 3.76Å; F189-L212 HydrophobicContact CD1-CD2 4.3Å; F189-L212 HydrophobicContact CD2-CD2 4.37Å; F189-L212 HydrophobicContact CE1-CD2 4.1Å; F189-L212 HydrophobicContact CE2-CB 4.22Å; F189-L212 HydrophobicContact CE2-CD2 4.18Å; F189-L212 HydrophobicContact CG-CD2 4.45Å; F189-L212 HydrophobicContact CZ-CD2 4.05Å |
| 190 | G | 97.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | trans | -85.7 | 43.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V193 I194 C206 | G190-V193 WeakPolarHBondContact CA-O 3.46Å; G190-I194 WeakPolarHBondContact O-CG1 3.29Å; G190-C206 PolarHBondContact N-O 3.48Å | ||
| 191 | V | 98.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 54.2 Ų | 54.2 | 22% | 0.218 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -70.7 | -39.4 | -177 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | T82 F189 | T82-V191 HydrophobicContact CG2-CB 4.31Å; T82-V191 HydrophobicContact CG2-CG1 3.75Å; T82-V191 HydrophobicContact CG2-CG2 3.57Å; F189-V191 HydrophobicContact CD1-CB 4.39Å; F189-V191 HydrophobicContact CD1-CG1 3.75Å; F189-V191 HydrophobicContact CD2-CB 4.03Å; F189-V191 HydrophobicContact CD2-CG1 4.26Å; F189-V191 HydrophobicContact CE1-CB 4Å; F189-V191 HydrophobicContact CE1-CG1 3.5Å; F189-V191 VanDerWaalsContact CE1-CG1 3.5Å; F189-V191 HydrophobicContact CE2-CB 3.6Å; F189-V191 HydrophobicContact CE2-CG1 4.03Å; F189-V191 HydrophobicContact CE2-CG2 4.25Å; F189-V191 HydrophobicContact CG-CB 4.4Å; F189-V191 HydrophobicContact CG-CG1 4.12Å; F189-V191 HydrophobicContact CZ-CB 3.57Å; F189-V191 HydrophobicContact CZ-CG1 3.64Å; F189-V191 HydrophobicContact CZ-CG2 3.97Å; F189-V191 PolarHBondContact O-N 2.9Å; F189-V191 VanDerWaalsContact O-N 3.11Å |
| 192 | N | 97.3 | Very high | 97.4 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -101.7 | -40.9 | 176.5 | -58.6 | -54.3 | 0 | 0 | 0 | 111.4 | S17 C20 T82 | S17-N192 VanDerWaalsContact C-ND2 3.33Å; S17-N192 PolarHBondContact O-ND2 2.97Å; C20-N192 PolarHBondContact O-ND2 3.47Å; T82-N192 PolarHBondContact OG1-ND2 3.01Å |
| 193 | V | 95.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 55 Ų | 55 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | trans | -136.6 | 120.5 | -178.5 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | G190 R195 | G190-V193 WeakPolarHBondContact CA-O 3.46Å; V193-R195 HydrophobicContact CG1-CG 4.2Å; V193-R195 PolarHBondContact O-N 2.94Å | ||
| 194 | I | 96.9 | Very high | 97.3 | Very high | 87 Ų | 87 | 57.9 Ų | 57.9 | 45% | 0.446 | 31% | 0.312 | S | S | . | . | trans | -84.3 | 109.5 | 171.6 | -61 | 177.3 | 0 | 0 | 0 | 108.9 | G190 P196 K199 F205 T207 | G190-I194 WeakPolarHBondContact O-CG1 3.29Å; I194-P196 WeakPolarHBondContact O-CD 3.39Å; I194-K199 HydrophobicContact CG2-CD 4.1Å; I194-F205 HydrophobicContact CG2-CE1 4.38Å; I194-F205 HydrophobicContact CG2-CZ 4.18Å; I194-T207 HydrophobicContact CD1-CG2 3.96Å; I194-T207 HydrophobicContact CG1-CG2 4.33Å | ||
| 195 | R | 95.2 | Very high | 97.4 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 32% | 0.317 | 30% | 0.298 | S | S | . | . | trans | -90.1 | 110.4 | 172.2 | -57.8 | -165.4 | -166.1 | -95.6 | -3.7 | 110.4 | E23 D172 V193 K197 V198 K199 | E23-R195 IonicContact OE1-NH2 3.95Å; E23-R195 PolarHBondContact OE1-NH2 3.3Å; D172-R195 VanDerWaalsContact O-CD 3.32Å; D172-R195 WeakPolarHBondContact O-CD 3.4Å; D172-R195 IonicContact OD1-NE 2.67Å; D172-R195 IonicContact OD1-NH2 2.6Å; D172-R195 IonicContact OD2-CZ 3.7Å; D172-R195 IonicContact OD2-NE 2.81Å; D172-R195 PolarHBondContact OD2-NE 3.25Å; D172-R195 IonicContact OD2-NH2 2.59Å; D172-R195 PolarHBondContact OD2-NH2 3.5Å; V193-R195 HydrophobicContact CG1-CG 4.2Å; V193-R195 PolarHBondContact O-N 2.94Å; R195-K197 VanDerWaalsContact C-N 3.29Å; R195-K197 PolarHBondContact O-N 3.2Å; R195-V198 HydrophobicContact CB-CB 4.08Å; R195-V198 HydrophobicContact CB-CG2 3.87Å; R195-V198 PolarHBondContact O-N 2.8Å; R195-K199 PolarHBondContact O-N 3.26Å | ||
| 196 | P | 96.5 | Very high | 97.4 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 66% | 0.662 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.7 | -37 | -171.7 | -27.4 | 35.8 | 0 | 0 | 0 | 114.2 | I194 A200 | I194-P196 WeakPolarHBondContact O-CD 3.39Å; P196-A200 VanDerWaalsContact O-CB 3.3Å; P196-A200 WeakPolarHBondContact O-CB 3.48Å; P196-A200 PolarHBondContact O-N 3.17Å |
| 197 | K | 95.7 | Very high | 97.4 | Very high | 164 Ų | 164 | 58 Ų | 58 | 71% | 0.713 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.6 | -36.8 | 177.8 | -68.9 | -177.1 | -179.4 | 175.5 | 0 | 112.4 | M174 R195 I201 | M174-K197 HydrophobicContact CE-CB 3.86Å; R195-K197 VanDerWaalsContact C-N 3.29Å; R195-K197 PolarHBondContact O-N 3.2Å; K197-I201 WeakPolarHBondContact O-CG1 3.27Å; K197-I201 PolarHBondContact O-N 3.4Å |
| 198 | V | 96.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.2 | -50.1 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | D172 M174 F186 R195 A200 I201 S202 F205 | D172-V198 WeakPolarHBondContact O-CG2 3.24Å; M174-V198 HydrophobicContact CB-CG2 4.45Å; M174-V198 HydrophobicContact CE-CG2 4.1Å; F186-V198 HydrophobicContact CE1-CG1 3.86Å; F186-V198 HydrophobicContact CZ-CG1 3.8Å; R195-V198 HydrophobicContact CB-CB 4.08Å; R195-V198 HydrophobicContact CB-CG2 3.87Å; R195-V198 PolarHBondContact O-N 2.8Å; V198-A200 PolarHBondContact O-N 2.91Å; V198-A200 VanDerWaalsContact O-N 3.13Å; V198-I201 VanDerWaalsContact O-CG1 3.3Å; V198-I201 WeakPolarHBondContact O-CG1 3.38Å; V198-I201 PolarHBondContact O-N 3.34Å; V198-S202 PolarHBondContact O-N 2.93Å; V198-S202 PolarHBondContact O-OG 3.48Å; V198-F205 HydrophobicContact CG1-CE2 4.45Å |
| 199 | K | 98 | Very high | 97.4 | Very high | 108 Ų | 108 | 60.3 Ų | 60.3 | 47% | 0.47 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -53.1 | -37.5 | 175.2 | -176.9 | 170.8 | -178 | 172 | 0 | 113.4 | I194 R195 I201 F205 | I194-K199 HydrophobicContact CG2-CD 4.1Å; R195-K199 PolarHBondContact O-N 3.26Å; K199-I201 VanDerWaalsContact C-N 3.35Å; K199-F205 HydrophobicContact CB-CD1 4.47Å; K199-F205 HydrophobicContact CB-CD2 3.83Å; K199-F205 HydrophobicContact CB-CE1 4.3Å; K199-F205 HydrophobicContact CB-CE2 3.64Å; K199-F205 HydrophobicContact CB-CG 4.25Å; K199-F205 HydrophobicContact CB-CZ 3.89Å; K199-F205 HydrophobicContact CD-CD1 4.11Å; K199-F205 HydrophobicContact CD-CE1 4.02Å; K199-F205 HydrophobicContact CD-CZ 4.38Å; K199-F205 HydrophobicContact CG-CD1 4.03Å; K199-F205 HydrophobicContact CG-CD2 4.06Å; K199-F205 HydrophobicContact CG-CE1 4.18Å; K199-F205 HydrophobicContact CG-CE2 4.23Å; K199-F205 HydrophobicContact CG-CG 3.96Å; K199-F205 HydrophobicContact CG-CZ 4.28Å |
| 200 | A | 97.6 | Very high | 97.4 | Very high | 85 Ų | 85 | 66.9 Ų | 66.9 | 70% | 0.702 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -72.3 | -24.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P196 V198 | P196-A200 VanDerWaalsContact O-CB 3.3Å; P196-A200 WeakPolarHBondContact O-CB 3.48Å; P196-A200 PolarHBondContact O-N 3.17Å; V198-A200 PolarHBondContact O-N 2.91Å; V198-A200 VanDerWaalsContact O-N 3.13Å |
| 201 | I | 96.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 70.9 Ų | 70.9 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -105.3 | -14.2 | -177.9 | 67.5 | 171.8 | 0 | 0 | 0 | 113.4 | M174 A177 K197 V198 K199 | M174-I201 HydrophobicContact CE-CD1 3.83Å; M174-I201 HydrophobicContact SD-CD1 3.77Å; A177-I201 HydrophobicContact CB-CD1 3.77Å; K197-I201 WeakPolarHBondContact O-CG1 3.27Å; K197-I201 PolarHBondContact O-N 3.4Å; V198-I201 VanDerWaalsContact O-CG1 3.3Å; V198-I201 WeakPolarHBondContact O-CG1 3.38Å; V198-I201 PolarHBondContact O-N 3.34Å; K199-I201 VanDerWaalsContact C-N 3.35Å |
| 202 | S | 97.3 | Very high | 97.4 | Very high | 17 Ų | 17 | 69.1 Ų | 69.1 | 12% | 0.119 | 36% | 0.361 | C | S | . | . | trans | -76.8 | 124.9 | 179.4 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | F186 V198 Y204 | F186-S202 WeakPolarHBondContact CE1-OG 3.42Å; V198-S202 PolarHBondContact O-N 2.93Å; V198-S202 PolarHBondContact O-OG 3.48Å; S202-Y204 VanDerWaalsContact CB-O 3.32Å; S202-Y204 WeakPolarHBondContact CB-O 3.36Å; S202-Y204 PolarHBondContact O-N 2.97Å | ||
| 203 | D | 96.5 | Very high | 97.5 | Very high | 150 Ų | 150 | 67.6 Ų | 67.6 | 80% | 0.802 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -62.9 | -31.4 | 168.7 | -68.4 | -40.7 | 0 | 0 | 0 | 111.8 | ||
| 204 | Y | 98.2 | Very high | 97.6 | Very high | 65 Ų | 65 | 68.4 Ų | 68.4 | 26% | 0.255 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.9 | 177.6 | -55.4 | -82.9 | 0 | 0 | 0 | 109.9 | W5 V185 G188 S202 L215 H219 | W5-Y204 HydrophobicContact CH2-CD1 4.05Å; W5-Y204 HydrophobicContact CH2-CD2 4.04Å; W5-Y204 AromaticContact CH2-CE1 4Å; W5-Y204 HydrophobicContact CH2-CE1 4Å; W5-Y204 HydrophobicContact CH2-CE2 4.04Å; W5-Y204 HydrophobicContact CH2-CG 4.06Å; W5-Y204 HydrophobicContact CZ2-CD1 4.41Å; W5-Y204 HydrophobicContact CZ2-CD2 4Å; W5-Y204 AromaticContact CZ2-CE1 3.97Å; W5-Y204 HydrophobicContact CZ2-CE1 3.97Å; W5-Y204 AromaticContact CZ2-CE2 3.56Å; W5-Y204 HydrophobicContact CZ2-CE2 3.56Å; W5-Y204 HydrophobicContact CZ2-CG 4.42Å; W5-Y204 AromaticContact CZ2-CZ 3.54Å; V185-Y204 HydrophobicContact CG1-CD2 4.22Å; V185-Y204 HydrophobicContact CG1-CE2 4.42Å; G188-Y204 PolarHBondContact N-O 3.46Å; S202-Y204 VanDerWaalsContact CB-O 3.32Å; S202-Y204 WeakPolarHBondContact CB-O 3.36Å; S202-Y204 PolarHBondContact O-N 2.97Å; Y204-L215 HydrophobicContact CD1-CD1 3.83Å; Y204-L215 HydrophobicContact CD1-CD2 4.04Å; Y204-L215 HydrophobicContact CD1-CG 4.49Å; Y204-L215 HydrophobicContact CE1-CD1 4.31Å; Y204-L215 HydrophobicContact CG-CD2 4.23Å; Y204-H219 AromaticContact CE1-CE1 3.68Å; Y204-H219 AromaticContact CE1-NE2 3.52Å; Y204-H219 AromaticContact CZ-CE1 3.83Å; Y204-H219 PolarHBondContact OH-CE1 2.87Å |
| 205 | F | 98.6 | Very high | 97.7 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 125.8 | 179.2 | -164 | -86.9 | 0 | 0 | 0 | 110.8 | G188 I194 V198 K199 T207 | G188-F205 CarbonylContact O-C 3.58Å; G188-F205 VanDerWaalsContact O-CA 3.26Å; G188-F205 WeakPolarHBondContact O-CA 3.48Å; G188-F205 WeakPolarHBondContact O-CD2 3.29Å; I194-F205 HydrophobicContact CG2-CE1 4.38Å; I194-F205 HydrophobicContact CG2-CZ 4.18Å; V198-F205 HydrophobicContact CG1-CE2 4.45Å; K199-F205 HydrophobicContact CB-CD1 4.47Å; K199-F205 HydrophobicContact CB-CD2 3.83Å; K199-F205 HydrophobicContact CB-CE1 4.3Å; K199-F205 HydrophobicContact CB-CE2 3.64Å; K199-F205 HydrophobicContact CB-CG 4.25Å; K199-F205 HydrophobicContact CB-CZ 3.89Å; K199-F205 HydrophobicContact CD-CD1 4.11Å; K199-F205 HydrophobicContact CD-CE1 4.02Å; K199-F205 HydrophobicContact CD-CZ 4.38Å; K199-F205 HydrophobicContact CG-CD1 4.03Å; K199-F205 HydrophobicContact CG-CD2 4.06Å; K199-F205 HydrophobicContact CG-CE1 4.18Å; K199-F205 HydrophobicContact CG-CE2 4.23Å; K199-F205 HydrophobicContact CG-CG 3.96Å; K199-F205 HydrophobicContact CG-CZ 4.28Å; F205-T207 HydrophobicContact CD1-CG2 4.14Å; F205-T207 HydrophobicContact CE1-CG2 3.76Å |
| 206 | C | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.034 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 148.7 | 178.9 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | G188 F189 G190 E211 L212 | G188-C206 PolarHBondContact O-N 3.35Å; F189-C206 HydrophobicContact CD2-CB 3.91Å; F189-C206 HydrophobicContact CE2-CB 4.19Å; G190-C206 PolarHBondContact N-O 3.48Å; C206-E211 HydrophobicContact CB-CB 4.11Å; C206-L212 HydrophobicContact CB-CB 4.14Å |
| 207 | T | 98.3 | Very high | 97.9 | Very high | 54 Ų | 54 | 60.3 Ų | 60.3 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -119.9 | 0.5 | 179 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | I194 F205 E211 | I194-T207 HydrophobicContact CD1-CG2 3.96Å; I194-T207 HydrophobicContact CG1-CG2 4.33Å; F205-T207 HydrophobicContact CD1-CG2 4.14Å; F205-T207 HydrophobicContact CE1-CG2 3.76Å; T207-E211 PolarHBondContact N-OE2 3.29Å; T207-E211 PolarHBondContact OG1-OE1 3.25Å; T207-E211 PolarHBondContact OG1-OE2 2.67Å |
| 208 | S | 98.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 56.8 Ų | 56.8 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -146.2 | 157.1 | 171.1 | 71.4 | 0 | 0 | 0 | 0 | 111 | F189 E210 E211 L212 | F189-S208 WeakPolarHBondContact CE2-O 3.45Å; S208-E210 PolarHBondContact O-N 3.28Å; S208-E211 PolarHBondContact O-N 3.27Å; S208-E211 WeakPolarHBondContact OG-CB 3.24Å; S208-E211 VanDerWaalsContact OG-CG 3.31Å; S208-E211 WeakPolarHBondContact OG-CG 3.39Å; S208-E211 PolarHBondContact OG-N 2.9Å; S208-E211 VanDerWaalsContact OG-N 3.08Å; S208-L212 PolarHBondContact O-N 3.1Å; S208-L212 VanDerWaalsContact O-N 3.12Å |
| 209 | V | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -34.8 | 174 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | T82 P83 L88 F189 L212 I213 | T82-V209 HydrophobicContact CG2-CG2 4.23Å; P83-V209 VanDerWaalsContact O-CG2 3.26Å; P83-V209 WeakPolarHBondContact O-CG2 3.25Å; L88-V209 HydrophobicContact CB-CG1 3.91Å; F189-V209 HydrophobicContact CE1-CG2 4.4Å; F189-V209 HydrophobicContact CZ-CB 4.47Å; F189-V209 HydrophobicContact CZ-CG2 3.76Å; V209-L212 PolarHBondContact O-N 3.43Å; V209-I213 HydrophobicContact CG1-CD1 3.85Å; V209-I213 HydrophobicContact CG1-CG1 4.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.02Å; V209-I213 PolarHBondContact O-N 3.13Å |
| 210 | E | 98.3 | Very high | 97.8 | Very high | 140 Ų | 140 | 57.6 Ų | 57.6 | 65% | 0.654 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.5 | -45.2 | 176.8 | -175.2 | -178.7 | 173.6 | 0 | 0 | 111.9 | S208 L212 I213 N214 | S208-E210 PolarHBondContact O-N 3.28Å; E210-L212 VanDerWaalsContact C-N 3.29Å; E210-L212 PolarHBondContact O-N 2.88Å; E210-I213 PolarHBondContact O-N 2.9Å; E210-N214 WeakPolarHBondContact O-CB 3.35Å; E210-N214 VanDerWaalsContact O-CG 3.3Å; E210-N214 PolarHBondContact O-N 2.98Å; E210-N214 PolarHBondContact O-ND2 2.81Å |
| 211 | E | 98.3 | Very high | 97.8 | Very high | 88 Ų | 88 | 53.9 Ų | 53.9 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 174.5 | -77 | 173.7 | -176.9 | 0 | 0 | 111.5 | C206 T207 S208 N214 L215 | C206-E211 HydrophobicContact CB-CB 4.11Å; T207-E211 PolarHBondContact N-OE2 3.29Å; T207-E211 PolarHBondContact OG1-OE1 3.25Å; T207-E211 PolarHBondContact OG1-OE2 2.67Å; S208-E211 PolarHBondContact O-N 3.27Å; S208-E211 WeakPolarHBondContact OG-CB 3.24Å; S208-E211 VanDerWaalsContact OG-CG 3.31Å; S208-E211 WeakPolarHBondContact OG-CG 3.39Å; S208-E211 PolarHBondContact OG-N 2.9Å; S208-E211 VanDerWaalsContact OG-N 3.08Å; E211-N214 PolarHBondContact O-N 3.1Å; E211-L215 WeakPolarHBondContact O-CB 3.47Å; E211-L215 PolarHBondContact O-N 2.78Å |
| 212 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -48.1 | 178.1 | 178 | 55.3 | 0 | 0 | 0 | 111.7 | L88 I170 I187 F189 C206 S208 V209 E210 N214 L215 L216 | L88-L212 HydrophobicContact CD1-CD2 4.26Å; L88-L212 HydrophobicContact CD1-CG 4.3Å; L88-L212 HydrophobicContact CD2-CD2 3.59Å; L88-L212 HydrophobicContact CD2-CG 4.48Å; I170-L212 HydrophobicContact CD1-CD1 4.25Å; I170-L212 HydrophobicContact CD1-CD2 4.21Å; I170-L212 HydrophobicContact CG2-CD2 4.14Å; I187-L212 HydrophobicContact CD1-CD1 3.75Å; I187-L212 HydrophobicContact CG2-CD1 4.04Å; F189-L212 HydrophobicContact CD1-CD2 4.3Å; F189-L212 HydrophobicContact CD2-CD2 4.37Å; F189-L212 HydrophobicContact CE1-CD2 4.1Å; F189-L212 HydrophobicContact CE2-CB 4.22Å; F189-L212 HydrophobicContact CE2-CD2 4.18Å; F189-L212 HydrophobicContact CG-CD2 4.45Å; F189-L212 HydrophobicContact CZ-CD2 4.05Å; C206-L212 HydrophobicContact CB-CB 4.14Å; S208-L212 PolarHBondContact O-N 3.1Å; S208-L212 VanDerWaalsContact O-N 3.12Å; V209-L212 PolarHBondContact O-N 3.43Å; E210-L212 VanDerWaalsContact C-N 3.29Å; E210-L212 PolarHBondContact O-N 2.88Å; L212-N214 VanDerWaalsContact C-N 3.32Å; L212-N214 PolarHBondContact O-N 2.84Å; L212-L215 WeakPolarHBondContact O-CB 3.29Å; L212-L215 PolarHBondContact O-N 3.23Å; L212-L216 HydrophobicContact CD1-CD1 3.96Å; L212-L216 HydrophobicContact CD1-CG 4.1Å; L212-L216 HydrophobicContact CG-CD1 3.95Å; L212-L216 WeakPolarHBondContact O-CD1 3.22Å; L212-L216 VanDerWaalsContact O-CG 3.22Å; L212-L216 WeakPolarHBondContact O-CG 3.28Å; L212-L216 PolarHBondContact O-N 3.48Å |
| 213 | I | 98.5 | Very high | 97.1 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.087 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 176.8 | -69.7 | 171.4 | 0 | 0 | 0 | 110.5 | N87 L88 V209 E210 L215 L216 K217 L222 | N87-I213 WeakPolarHBondContact ND2-CD1 3.46Å; L88-I213 HydrophobicContact CD1-CG1 3.77Å; V209-I213 HydrophobicContact CG1-CD1 3.85Å; V209-I213 HydrophobicContact CG1-CG1 4.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.02Å; V209-I213 PolarHBondContact O-N 3.13Å; E210-I213 PolarHBondContact O-N 2.9Å; I213-L215 VanDerWaalsContact C-N 3.34Å; I213-L215 PolarHBondContact O-N 3.38Å; I213-L216 PolarHBondContact O-N 2.78Å; I213-K217 HydrophobicContact CG2-CD 4.17Å; I213-K217 HydrophobicContact CG2-CG 4.5Å; I213-K217 WeakPolarHBondContact O-CG 3.04Å; I213-K217 PolarHBondContact O-N 3.47Å; I213-L222 HydrophobicContact CG2-CD1 4.4Å |
| 214 | N | 98.1 | Very high | 97.2 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.8 | -75 | -29 | 0 | 0 | 0 | 112 | E210 E211 L212 K217 N218 | E210-N214 WeakPolarHBondContact O-CB 3.35Å; E210-N214 VanDerWaalsContact O-CG 3.3Å; E210-N214 PolarHBondContact O-N 2.98Å; E210-N214 PolarHBondContact O-ND2 2.81Å; E211-N214 PolarHBondContact O-N 3.1Å; L212-N214 VanDerWaalsContact C-N 3.32Å; L212-N214 PolarHBondContact O-N 2.84Å; N214-K217 PolarHBondContact O-N 3.06Å; N214-N218 WeakPolarHBondContact O-CB 3.18Å; N214-N218 PolarHBondContact O-N 3.17Å; N214-N218 PolarHBondContact O-ND2 3.32Å; N214-N218 VanDerWaalsContact O-ND2 3.15Å |
| 215 | L | 98.1 | Very high | 97.1 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -50.2 | 173.9 | 179.4 | 67.8 | 0 | 0 | 0 | 110.8 | W5 I187 Y204 E211 L212 I213 K217 N218 H219 | W5-L215 HydrophobicContact CH2-CD2 4.31Å; W5-L215 HydrophobicContact CH2-CG 4.32Å; W5-L215 HydrophobicContact CZ3-CD2 4.43Å; W5-L215 HydrophobicContact CZ3-CG 4.2Å; I187-L215 HydrophobicContact CD1-CD2 3.98Å; I187-L215 HydrophobicContact CG1-CD2 4.43Å; I187-L215 HydrophobicContact CG2-CD2 4.28Å; Y204-L215 HydrophobicContact CD1-CD1 3.83Å; Y204-L215 HydrophobicContact CD1-CD2 4.04Å; Y204-L215 HydrophobicContact CD1-CG 4.49Å; Y204-L215 HydrophobicContact CE1-CD1 4.31Å; Y204-L215 HydrophobicContact CG-CD2 4.23Å; E211-L215 WeakPolarHBondContact O-CB 3.47Å; E211-L215 PolarHBondContact O-N 2.78Å; L212-L215 WeakPolarHBondContact O-CB 3.29Å; L212-L215 PolarHBondContact O-N 3.23Å; I213-L215 VanDerWaalsContact C-N 3.34Å; I213-L215 PolarHBondContact O-N 3.38Å; L215-K217 VanDerWaalsContact C-N 3.29Å; L215-K217 PolarHBondContact O-N 3.25Å; L215-N218 WeakPolarHBondContact O-CB 3.45Å; L215-N218 PolarHBondContact O-N 2.78Å; L215-N218 VanDerWaalsContact O-N 3.14Å; L215-H219 PolarHBondContact O-CD2 2.61Å; L215-H219 VanDerWaalsContact O-CD2 3.25Å; L215-H219 PolarHBondContact O-N 3.27Å; L215-H219 VanDerWaalsContact O-N 3.11Å |
| 216 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -37.9 | -179.8 | -65.7 | 164 | 0 | 0 | 0 | 112.2 | W5 L88 F92 M168 I187 L212 I213 H219 K220 M221 L222 | W5-L216 HydrophobicContact CE3-CD2 4.32Å; W5-L216 HydrophobicContact CZ3-CD2 4.29Å; L88-L216 HydrophobicContact CD1-CD1 3.9Å; F92-L216 HydrophobicContact CE1-CD1 3.63Å; F92-L216 HydrophobicContact CE1-CD2 4.3Å; F92-L216 HydrophobicContact CZ-CD1 3.53Å; M168-L216 HydrophobicContact CE-CD2 3.98Å; M168-L216 HydrophobicContact SD-CD2 3.81Å; I187-L216 HydrophobicContact CD1-CD2 4.2Å; L212-L216 HydrophobicContact CD1-CD1 3.96Å; L212-L216 HydrophobicContact CD1-CG 4.1Å; L212-L216 HydrophobicContact CG-CD1 3.95Å; L212-L216 WeakPolarHBondContact O-CD1 3.22Å; L212-L216 VanDerWaalsContact O-CG 3.22Å; L212-L216 WeakPolarHBondContact O-CG 3.28Å; L212-L216 PolarHBondContact O-N 3.48Å; I213-L216 PolarHBondContact O-N 2.78Å; L216-H219 CarbonylContact O-C 3.56Å; L216-H219 PolarHBondContact O-N 3.05Å; L216-K220 PolarHBondContact O-N 3.13Å; L216-M221 HydrophobicContact CB-CB 4.42Å; L216-M221 HydrophobicContact CD2-CB 4.41Å; L216-M221 HydrophobicContact CD2-CG 4.45Å; L216-M221 HydrophobicContact CD2-SD 3.66Å; L216-M221 WeakPolarHBondContact O-CB 3.42Å; L216-M221 PolarHBondContact O-N 3.45Å; L216-L222 HydrophobicContact CB-CB 4.47Å; L216-L222 HydrophobicContact CB-CD1 3.78Å; L216-L222 HydrophobicContact CB-CG 3.85Å; L216-L222 HydrophobicContact CD1-CD1 3.77Å; L216-L222 HydrophobicContact CD1-CG 4.39Å; L216-L222 HydrophobicContact CG-CD1 4.44Å |
| 217 | K | 97.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 55.2 Ų | 55.2 | 34% | 0.335 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 173.5 | -73.1 | -176 | 174.3 | -153.8 | 0 | 112.7 | I213 N214 L215 H219 K220 L222 L223 | I213-K217 HydrophobicContact CG2-CD 4.17Å; I213-K217 HydrophobicContact CG2-CG 4.5Å; I213-K217 WeakPolarHBondContact O-CG 3.04Å; I213-K217 PolarHBondContact O-N 3.47Å; N214-K217 PolarHBondContact O-N 3.06Å; L215-K217 VanDerWaalsContact C-N 3.29Å; L215-K217 PolarHBondContact O-N 3.25Å; K217-H219 PolarHBondContact O-N 2.87Å; K217-K220 PolarHBondContact O-N 2.87Å; K217-L222 HydrophobicContact CG-CB 3.9Å; K217-L223 WeakPolarHBondContact CE-O 3.44Å; K217-L223 PolarHBondContact NZ-O 3.21Å; K217-L223 VanDerWaalsContact NZ-O 3.15Å |
| 218 | N | 97.2 | Very high | 96.9 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -26.5 | 177 | -73.7 | -29.1 | 0 | 0 | 0 | 112.8 | F2 N214 L215 | F2-N218 WeakPolarHBondContact CB-O 3.06Å; F2-N218 HydrophobicContact CD2-CB 3.91Å; F2-N218 HydrophobicContact CE2-CB 3.96Å; F2-N218 HydrophobicContact CG-CB 4.33Å; F2-N218 HydrophobicContact CZ-CB 4.41Å; N214-N218 WeakPolarHBondContact O-CB 3.18Å; N214-N218 PolarHBondContact O-N 3.17Å; N214-N218 PolarHBondContact O-ND2 3.32Å; N214-N218 VanDerWaalsContact O-ND2 3.15Å; L215-N218 WeakPolarHBondContact O-CB 3.45Å; L215-N218 PolarHBondContact O-N 2.78Å; L215-N218 VanDerWaalsContact O-N 3.14Å |
| 219 | H | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 11.3 | 174.9 | -73.9 | -98.8 | 0 | 0 | 0 | 113.9 | F2 A3 W5 Y204 L215 L216 K217 M221 | F2-H219 AromaticContact CD1-CE1 3.97Å; F2-H219 AromaticContact CD1-NE2 3.41Å; F2-H219 WeakPolarHBondContact CD1-NE2 3.34Å; F2-H219 AromaticContact CG-NE2 3.91Å; A3-H219 PolarHBondContact O-ND1 2.92Å; W5-H219 HydrophobicContact CB-CB 4.11Å; W5-H219 HydrophobicContact CD2-CB 3.42Å; W5-H219 VanDerWaalsContact CD2-CB 3.42Å; W5-H219 AromaticContact CD2-CG 3.59Å; W5-H219 AromaticContact CD2-ND1 3.54Å; W5-H219 AromaticContact CE2-CE1 3.77Å; W5-H219 AromaticContact CE2-CG 3.75Å; W5-H219 AromaticContact CE2-ND1 3.24Å; W5-H219 HydrophobicContact CE3-CB 3.26Å; W5-H219 AromaticContact CE3-CG 3.54Å; W5-H219 AromaticContact CE3-ND1 3.95Å; W5-H219 HydrophobicContact CG-CB 3.82Å; W5-H219 HydrophobicContact CH2-CB 4.45Å; W5-H219 AromaticContact CH2-CD2 3.83Å; W5-H219 AromaticContact CH2-CE1 3.84Å; W5-H219 AromaticContact CH2-CG 3.82Å; W5-H219 AromaticContact CH2-ND1 3.84Å; W5-H219 AromaticContact CH2-NE2 3.89Å; W5-H219 AromaticContact CZ2-CE1 3.48Å; W5-H219 VanDerWaalsContact CZ2-CE1 3.48Å; W5-H219 WeakPolarHBondContact CZ2-CE1 3.47Å; W5-H219 AromaticContact CZ2-CG 3.87Å; W5-H219 AromaticContact CZ2-ND1 3.42Å; W5-H219 WeakPolarHBondContact CZ2-ND1 3.39Å; W5-H219 AromaticContact CZ2-NE2 3.99Å; W5-H219 HydrophobicContact CZ3-CB 3.83Å; W5-H219 AromaticContact CZ3-CD2 3.83Å; W5-H219 AromaticContact CZ3-CG 3.66Å; W5-H219 PolarHBondContact N-O 3.47Å; W5-H219 AromaticContact NE1-ND1 3.65Å; Y204-H219 AromaticContact CE1-CE1 3.68Å; Y204-H219 AromaticContact CE1-NE2 3.52Å; Y204-H219 AromaticContact CZ-CE1 3.83Å; Y204-H219 PolarHBondContact OH-CE1 2.87Å; L215-H219 PolarHBondContact O-CD2 2.61Å; L215-H219 VanDerWaalsContact O-CD2 3.25Å; L215-H219 PolarHBondContact O-N 3.27Å; L215-H219 VanDerWaalsContact O-N 3.11Å; L216-H219 CarbonylContact O-C 3.56Å; L216-H219 PolarHBondContact O-N 3.05Å; K217-H219 PolarHBondContact O-N 2.87Å; H219-M221 PolarHBondContact O-N 2.71Å |
| 220 | K | 95.8 | Very high | 96.6 | Very high | 125 Ų | 125 | 59.7 Ų | 59.7 | 54% | 0.543 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 24.1 | 177.6 | -46.5 | -178.2 | -161.8 | 157.7 | 0 | 115.2 | D4 L216 K217 | D4-K220 IonicContact OD2-NZ 2.76Å; D4-K220 PolarHBondContact OD2-NZ 3Å; L216-K220 PolarHBondContact O-N 3.13Å; K217-K220 PolarHBondContact O-N 2.87Å |
| 221 | M | 96.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -83.8 | -35.3 | 176.9 | -168.4 | 168.3 | 170.6 | 0 | 0 | 111.4 | W5 I8 V11 F92 I97 M168 L216 H219 | W5-M221 HydrophobicContact CB-CB 4.08Å; W5-M221 HydrophobicContact CB-SD 4.25Å; W5-M221 HydrophobicContact CE3-SD 4.45Å; I8-M221 HydrophobicContact CB-CE 3.93Å; I8-M221 HydrophobicContact CB-SD 4.17Å; I8-M221 HydrophobicContact CG2-CE 3.57Å; I8-M221 HydrophobicContact CG2-SD 4.29Å; V11-M221 HydrophobicContact CG2-CE 3.28Å; F92-M221 HydrophobicContact CE1-CE 4.13Å; I97-M221 HydrophobicContact CD1-CE 3.84Å; I97-M221 HydrophobicContact CD1-CG 3.7Å; I97-M221 WeakPolarHBondContact CD1-O 3.48Å; I97-M221 HydrophobicContact CG2-CE 4.08Å; M168-M221 HydrophobicContact CE-CE 4.3Å; M168-M221 HydrophobicContact CE-SD 3.53Å; M168-M221 VanDerWaalsContact CE-SD 3.53Å; M168-M221 HydrophobicContact SD-CE 4.22Å; M168-M221 HydrophobicContact SD-SD 4.05Å; L216-M221 HydrophobicContact CB-CB 4.42Å; L216-M221 HydrophobicContact CD2-CB 4.41Å; L216-M221 HydrophobicContact CD2-CG 4.45Å; L216-M221 HydrophobicContact CD2-SD 3.66Å; L216-M221 WeakPolarHBondContact O-CB 3.42Å; L216-M221 PolarHBondContact O-N 3.45Å; H219-M221 PolarHBondContact O-N 2.71Å |
| 222 | L | 96.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | -113.5 | 146.8 | 171.8 | -59.4 | -179.8 | 0 | 0 | 0 | 109.8 | Q91 F92 N95 I97 I213 L216 K217 | Q91-L222 HydrophobicContact CB-CD1 4.02Å; Q91-L222 HydrophobicContact CB-CD2 4.11Å; F92-L222 HydrophobicContact CD1-CD2 3.8Å; F92-L222 HydrophobicContact CE1-CD2 4.22Å; N95-L222 HydrophobicContact CB-CD2 4.15Å; I97-L222 HydrophobicContact CD1-CD2 4.16Å; I213-L222 HydrophobicContact CG2-CD1 4.4Å; L216-L222 HydrophobicContact CB-CB 4.47Å; L216-L222 HydrophobicContact CB-CD1 3.78Å; L216-L222 HydrophobicContact CB-CG 3.85Å; L216-L222 HydrophobicContact CD1-CD1 3.77Å; L216-L222 HydrophobicContact CD1-CG 4.39Å; L216-L222 HydrophobicContact CG-CD1 4.44Å; K217-L222 HydrophobicContact CG-CB 3.9Å | ||
| 223 | L | 84 | Confident | 96.1 | Very high | 184 Ų | 184 | 55.3 Ų | 55.3 | 96% | 0.963 | 27% | 0.274 | S | S | * | . | trans | -88.4 | 0 | 174.4 | -64.9 | 171.2 | 0 | 0 | 0 | 113 | N95 K217 | N95-L223 WeakPolarHBondContact OD1-CG 3.45Å; N95-L223 PolarHBondContact OD1-N 3Å; K217-L223 WeakPolarHBondContact CE-O 3.44Å; K217-L223 PolarHBondContact NZ-O 3.21Å; K217-L223 VanDerWaalsContact NZ-O 3.15Å |
Retrieved 223 of 223 residues in 318.8 ms
(Link to these results)