| 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 | 42.9 | Very low | 79.2 | Confident | 228 Ų | 228 | 84.5 Ų | 84.5 | 100% | 1.123 | 45% | 0.45 | S | S | * | . | 0 | 99.2 | 0 | -76.1 | 172.4 | 172.5 | 0 | 0 | 103.7 | D3 | M1-D3 PolarHBondContact O-N 2.84Å; M1-D3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | D | 52.2 | Low | 80.5 | Confident | 155 Ų | 155 | 77.5 Ų | 77.5 | 83% | 0.829 | 41% | 0.412 | S | S | * | . | trans | -64.4 | 111.3 | 169 | -66.4 | -63.2 | 0 | 0 | 0 | 105.2 | D4 | D2-D4 PolarHBondContact O-N 3.02Š| ||
| 3 | D | 60.9 | Low | 81.7 | Confident | 132 Ų | 132 | 71.6 Ų | 71.6 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | trans | -59 | 106.8 | 168.4 | -79.4 | -43.7 | 0 | 0 | 0 | 105.9 | M1 V5 | M1-D3 PolarHBondContact O-N 2.84Å; M1-D3 VanDerWaalsContact O-N 3.16Å; D3-V5 PolarHBondContact O-N 3.17Å | ||
| 4 | D | 79.2 | Confident | 82.6 | Confident | 148 Ų | 148 | 66.5 Ų | 66.5 | 79% | 0.791 | 35% | 0.354 | S | S | * | . | trans | -56.2 | 103.8 | -179.9 | -83.7 | -32.1 | 0 | 0 | 0 | 108.3 | D2 L6 | D2-D4 PolarHBondContact O-N 3.02Å; D4-L6 PolarHBondContact O-N 2.62Å; D4-L6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | V | 81.8 | Confident | 83.4 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 112.1 | 178.2 | 174.2 | 0 | 0 | 0 | 0 | 107.3 | D3 T7 T49 S56 K58 | D3-V5 PolarHBondContact O-N 3.17Å; V5-T7 WeakPolarHBondContact CG1-O 3.38Å; V5-T7 PolarHBondContact O-N 3.14Å; V5-T49 HydrophobicContact CG2-CG2 4.28Å; V5-S56 CarbonylContact C-O 3.59Å; V5-K58 HydrophobicContact CG1-CB 3.75Å |
| 6 | L | 84.8 | Confident | 84 | Confident | 72 Ų | 72 | 60 Ų | 60 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | -45.9 | -177.8 | 178.8 | 65.5 | 0 | 0 | 0 | 111.8 | D4 N55 S56 L171 W177 | D4-L6 PolarHBondContact O-N 2.62Å; D4-L6 VanDerWaalsContact O-N 3.09Å; L6-N55 HydrophobicContact CD2-CB 3.74Å; L6-S56 VanDerWaalsContact CB-O 3.29Å; L6-S56 WeakPolarHBondContact CB-O 3.23Å; L6-S56 PolarHBondContact N-O 3.36Å; L6-L171 HydrophobicContact CD2-CD2 4.14Å; L6-W177 HydrophobicContact CD1-CH2 3.88Å; L6-W177 HydrophobicContact CD1-CZ3 3.68Å; L6-W177 HydrophobicContact CD2-CE3 4.29Å; L6-W177 HydrophobicContact CD2-CH2 3.6Å; L6-W177 HydrophobicContact CD2-CZ2 4.28Å; L6-W177 HydrophobicContact CD2-CZ3 3.61Å; L6-W177 HydrophobicContact CG-CE3 4.23Å; L6-W177 HydrophobicContact CG-CH2 3.89Å; L6-W177 HydrophobicContact CG-CZ3 3.47Å; L6-W177 VanDerWaalsContact CG-CZ3 3.47Å |
| 7 | T | 90.3 | Very high | 84.5 | Confident | 15 Ų | 15 | 59.3 Ų | 59.3 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 166.1 | -176.1 | -168.6 | 0 | 0 | 0 | 0 | 112.3 | V5 L9 K58 L171 W177 | V5-T7 WeakPolarHBondContact CG1-O 3.38Å; V5-T7 PolarHBondContact O-N 3.14Å; T7-L9 HydrophobicContact CG2-CD2 3.64Å; T7-L9 HydrophobicContact CG2-CG 4.03Å; T7-K58 PolarHBondContact O-N 3.45Å; T7-L171 HydrophobicContact CG2-CD2 4.06Å; T7-W177 HydrophobicContact CG2-CB 4.18Å; T7-W177 HydrophobicContact CG2-CD2 4.3Å; T7-W177 HydrophobicContact CG2-CE3 3.73Å; T7-W177 PolarHBondContact OG1-O 3.36Å |
| 8 | T | 93.4 | Very high | 85 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 45% | 0.454 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.2 | 168.9 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | K58 A60 Q82 | T8-K58 CarbonylContact C-O 3.6Å; T8-K58 WeakPolarHBondContact CA-O 3.41Å; T8-K58 HydrophobicContact CG2-CB 4.45Å; T8-K58 HydrophobicContact CG2-CD 4.45Å; T8-K58 HydrophobicContact CG2-CG 4.39Å; T8-A60 HydrophobicContact CG2-CB 4.11Å; T8-Q82 PolarHBondContact O-NE2 3.11Å |
| 9 | L | 95.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.9 | -180 | -55.6 | -178.7 | 0 | 0 | 0 | 110.4 | T7 I11 A57 K58 L59 A60 V167 I170 L171 W177 | T7-L9 HydrophobicContact CG2-CD2 3.64Å; T7-L9 HydrophobicContact CG2-CG 4.03Å; L9-I11 HydrophobicContact CB-CD1 4.37Å; L9-A57 HydrophobicContact CD1-CB 4.36Å; L9-K58 PolarHBondContact N-O 3.26Å; L9-L59 HydrophobicContact CB-CD2 3.99Å; L9-L59 HydrophobicContact CD1-CD2 4.08Å; L9-L59 HydrophobicContact CG-CD2 4.4Å; L9-L59 WeakPolarHBondContact O-CA 3.2Å; L9-A60 PolarHBondContact O-N 3.46Å; L9-V167 HydrophobicContact CD1-CB 4.46Å; L9-V167 HydrophobicContact CD1-CG1 3.84Å; L9-V167 HydrophobicContact CD1-CG2 4.26Å; L9-I170 HydrophobicContact CD1-CB 4.35Å; L9-I170 HydrophobicContact CD1-CD1 4.49Å; L9-I170 HydrophobicContact CD1-CG2 3.89Å; L9-I170 HydrophobicContact CD2-CG2 3.78Å; L9-I170 HydrophobicContact CG-CG2 4.43Å; L9-L171 HydrophobicContact CD1-CD2 4.43Å; L9-W177 HydrophobicContact CD2-CB 3.57Å |
| 10 | K | 94.4 | Very high | 86.2 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 116.3 | 171.8 | -177.1 | 177.3 | 173.1 | -177.6 | 0 | 109.4 | A60 S76 Y77 R79 Q82 G83 | K10-A60 WeakPolarHBondContact CA-O 3.45Å; K10-S76 PolarHBondContact NZ-O 3.4Å; K10-Y77 WeakPolarHBondContact CE-O 3.37Å; K10-Y77 PolarHBondContact NZ-O 3.18Å; K10-R79 PolarHBondContact NZ-O 3.38Å; K10-Q82 VanDerWaalsContact CB-OE1 3.27Å; K10-Q82 PolarHBondContact O-N 3.2Å; K10-G83 PolarHBondContact O-N 3.43Å |
| 11 | I | 95.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.2 | 178 | -52.7 | -57.7 | 0 | 0 | 0 | 109.2 | L9 A60 I61 W62 G83 I85 L166 I170 | L9-I11 HydrophobicContact CB-CD1 4.37Å; I11-A60 PolarHBondContact N-O 2.92Å; I11-I61 HydrophobicContact CB-CG1 4.32Å; I11-I61 HydrophobicContact CB-CG2 4.41Å; I11-I61 HydrophobicContact CG2-CG2 4.48Å; I11-I61 WeakPolarHBondContact O-CA 3.35Å; I11-W62 PolarHBondContact O-N 2.68Å; I11-G83 WeakPolarHBondContact CA-O 3.21Å; I11-I85 HydrophobicContact CG2-CD1 4.23Å; I11-I85 HydrophobicContact CG2-CG1 4.28Å; I11-L166 HydrophobicContact CD1-CD2 4.1Å; I11-L166 HydrophobicContact CG2-CD2 3.89Å; I11-I170 HydrophobicContact CD1-CD1 3.57Å |
| 12 | L | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.8 | 175.5 | -173 | 69.6 | 0 | 0 | 0 | 110.1 | I14 W62 T64 Y78 G83 V84 I85 | L12-I14 HydrophobicContact CD2-CG2 3.66Å; L12-I14 HydrophobicContact CG-CG2 3.75Å; L12-W62 HydrophobicContact CD1-CB 3.69Å; L12-T64 HydrophobicContact CD1-CG2 3.49Å; L12-T64 VanDerWaalsContact CD1-CG2 3.49Å; L12-T64 HydrophobicContact CG-CG2 4.25Å; L12-Y78 HydrophobicContact CD2-CD1 3.42Å; L12-Y78 VanDerWaalsContact CD2-CD1 3.42Å; L12-Y78 HydrophobicContact CD2-CE1 3.48Å; L12-Y78 VanDerWaalsContact CD2-CE1 3.48Å; L12-Y78 HydrophobicContact CD2-CG 4.12Å; L12-G83 PolarHBondContact N-O 3.11Å; L12-V84 HydrophobicContact CB-CG2 4.27Å; L12-V84 CarbonylContact O-C 3.6Å; L12-V84 VanDerWaalsContact O-CA 3.28Å; L12-V84 WeakPolarHBondContact O-CA 3.39Å; L12-I85 PolarHBondContact O-N 3.03Å |
| 13 | I | 95.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.5 | 172.7 | -46.9 | -179.9 | 0 | 0 | 0 | 108.9 | K21 L25 I61 W62 T64 I85 V87 F163 | I13-K21 HydrophobicContact CG2-CB 3.74Å; I13-K21 HydrophobicContact CG2-CD 4.01Å; I13-K21 HydrophobicContact CG2-CG 3.87Å; I13-L25 HydrophobicContact CD1-CB 4.07Å; I13-L25 HydrophobicContact CD1-CD1 4.38Å; I13-I61 HydrophobicContact CD1-CG2 3.73Å; I13-I61 HydrophobicContact CG1-CG2 3.9Å; I13-W62 PolarHBondContact N-O 3.37Å; I13-T64 WeakPolarHBondContact O-CB 3.29Å; I13-T64 WeakPolarHBondContact O-CG2 3.41Å; I13-T64 PolarHBondContact O-N 2.83Å; I13-T64 PolarHBondContact O-OG1 2.73Å; I13-I85 WeakPolarHBondContact CA-O 3.2Å; I13-I85 HydrophobicContact CG1-CB 4.39Å; I13-I85 HydrophobicContact CG2-CB 4.29Å; I13-I85 HydrophobicContact CG2-CG2 4.42Å; I13-V87 HydrophobicContact CG2-CG2 3.75Å; I13-F163 HydrophobicContact CD1-CE1 4.11Å; I13-F163 HydrophobicContact CD1-CZ 3.92Å |
| 14 | I | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 162.9 | -178.1 | 65 | 178.6 | 0 | 0 | 0 | 112.2 | L12 T64 Y78 V84 I85 L86 V87 W102 | L12-I14 HydrophobicContact CD2-CG2 3.66Å; L12-I14 HydrophobicContact CG-CG2 3.75Å; I14-T64 HydrophobicContact CG2-CG2 4.23Å; I14-Y78 HydrophobicContact CG2-CE1 4.26Å; I14-V84 HydrophobicContact CD1-CG2 3.79Å; I14-V84 HydrophobicContact CG1-CG2 3.87Å; I14-I85 PolarHBondContact N-O 2.81Å; I14-L86 HydrophobicContact CD1-CD1 4.25Å; I14-L86 HydrophobicContact CD1-CD2 4.32Å; I14-L86 HydrophobicContact CD1-CG 3.88Å; I14-L86 HydrophobicContact CG1-CD1 4.36Å; I14-L86 HydrophobicContact CG1-CG 3.78Å; I14-V87 PolarHBondContact O-N 3Å; I14-W102 HydrophobicContact CB-CD2 4.49Å; I14-W102 HydrophobicContact CB-CE3 3.85Å; I14-W102 HydrophobicContact CB-CZ3 4.13Å; I14-W102 HydrophobicContact CD1-CB 4.22Å; I14-W102 HydrophobicContact CD1-CE3 4.31Å; I14-W102 HydrophobicContact CG1-CE3 4.42Å; I14-W102 HydrophobicContact CG2-CE3 4.47Å; I14-W102 HydrophobicContact CG2-CZ3 4.49Å |
| 15 | G | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | 139.3 | 170.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K21 G66 W102 | G15-K21 PolarHBondContact O-NZ 2.9Å; G15-G66 VanDerWaalsContact O-CA 3.25Å; G15-G66 WeakPolarHBondContact O-CA 3.28Å; G15-W102 VanDerWaalsContact C-CE2 3.47Å; G15-W102 VanDerWaalsContact C-CZ2 3.43Å; G15-W102 VanDerWaalsContact O-CZ2 3.23Å; G15-W102 WeakPolarHBondContact O-CZ2 3.45Å | ||
| 16 | E | 93.6 | Very high | 94.8 | Very high | 29 Ų | 29 | 20.7 Ų | 20.7 | 14% | 0.136 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -57.2 | 161 | -175 | -71.8 | -60 | 124.9 | 0 | 0 | 114.1 | G18 V19 K21 R71 T95 R98 W102 | E16-G18 PolarHBondContact O-N 2.91Å; E16-V19 HydrophobicContact CB-CG1 3.74Å; E16-V19 VanDerWaalsContact O-CG2 3.24Å; E16-V19 WeakPolarHBondContact O-CG2 3.3Å; E16-K21 PolarHBondContact O-NZ 3.27Å; E16-R71 IonicContact OE1-CZ 3.32Å; E16-R71 VanDerWaalsContact OE1-CZ 3.31Å; E16-R71 IonicContact OE1-NH1 3.77Å; E16-R71 IonicContact OE1-NH2 3.46Å; E16-R71 PolarHBondContact OE1-NH2 3.44Å; E16-R71 IonicContact OE2-CZ 3.68Å; E16-R71 IonicContact OE2-NH2 2.82Å; E16-R71 PolarHBondContact OE2-NH2 3.42Å; E16-T95 HydrophobicContact CB-CG2 4.04Å; E16-T95 HydrophobicContact CG-CG2 4.34Å; E16-R98 HydrophobicContact CG-CB 3.82Å; E16-R98 HydrophobicContact CG-CG 4.14Å; E16-R98 WeakPolarHBondContact OE1-CB 3.29Å; E16-W102 PolarHBondContact OE1-NE1 2.99Å |
| 17 | S | 92 | Very high | 95.4 | Very high | 48 Ų | 48 | 18.2 Ų | 18.2 | 34% | 0.336 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 136.1 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | V19 G66 | S17-V19 VanDerWaalsContact C-N 3.3Å; S17-V19 PolarHBondContact O-N 3.45Å; S17-G66 PolarHBondContact N-O 2.79Å |
| 18 | G | 93.5 | Very high | 95.7 | Very high | 47 Ų | 47 | 17.8 Ų | 17.8 | 49% | 0.485 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | E16 G20 K123 | E16-G18 PolarHBondContact O-N 2.91Å; G18-G20 PolarHBondContact O-N 3.4Å; G18-K123 WeakPolarHBondContact O-CE 3.34Å; G18-K123 PolarHBondContact O-NZ 2.73Å |
| 19 | V | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -71.4 | -16.3 | 172.3 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | E16 S17 K21 V87 D89 T95 N122 K123 | E16-V19 HydrophobicContact CB-CG1 3.74Å; E16-V19 VanDerWaalsContact O-CG2 3.24Å; E16-V19 WeakPolarHBondContact O-CG2 3.3Å; S17-V19 VanDerWaalsContact C-N 3.3Å; S17-V19 PolarHBondContact O-N 3.45Å; V19-K21 HydrophobicContact CG2-CD 4.28Å; V19-K21 HydrophobicContact CG2-CG 3.62Å; V19-V87 HydrophobicContact CB-CG1 4.19Å; V19-V87 HydrophobicContact CG2-CB 3.83Å; V19-V87 HydrophobicContact CG2-CG1 3.75Å; V19-D89 HydrophobicContact CB-CB 4.36Å; V19-D89 HydrophobicContact CG1-CB 4.23Å; V19-T95 HydrophobicContact CG1-CG2 3.74Å; V19-N122 PolarHBondContact O-ND2 3.46Å; V19-K123 WeakPolarHBondContact O-CE 3.26Å |
| 20 | G | 96.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 11% | 0.113 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 100.6 | 26.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G18 S23 L24 | G18-G20 PolarHBondContact O-N 3.4Å; G20-S23 PolarHBondContact O-N 3.1Å; G20-L24 WeakPolarHBondContact O-CG 3.35Å; G20-L24 PolarHBondContact O-N 3.32Å |
| 21 | K | 96.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 4% | 0.039 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.7 | -53.5 | 175.9 | -58.1 | -172.3 | -59.4 | -74.7 | 0 | 112.4 | I13 G15 E16 V19 S23 L24 L25 D63 T64 V87 | I13-K21 HydrophobicContact CG2-CB 3.74Å; I13-K21 HydrophobicContact CG2-CD 4.01Å; I13-K21 HydrophobicContact CG2-CG 3.87Å; G15-K21 PolarHBondContact O-NZ 2.9Å; E16-K21 PolarHBondContact O-NZ 3.27Å; V19-K21 HydrophobicContact CG2-CD 4.28Å; V19-K21 HydrophobicContact CG2-CG 3.62Å; K21-S23 VanDerWaalsContact C-N 3.32Å; K21-S23 PolarHBondContact O-N 2.72Å; K21-L24 WeakPolarHBondContact O-CB 3.45Å; K21-L24 PolarHBondContact O-N 2.71Å; K21-L25 PolarHBondContact O-N 3.46Å; K21-D63 WeakPolarHBondContact CB-OD1 3.34Å; K21-T64 WeakPolarHBondContact CE-O 3.45Å; K21-T64 PolarHBondContact NZ-O 3.38Å; K21-V87 HydrophobicContact CG-CB 4.03Å; K21-V87 HydrophobicContact CG-CG2 4.04Å |
| 22 | S | 96.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 18% | 0.175 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -37.1 | 178.2 | -36 | 0 | 0 | 0 | 0 | 112 | L25 L26 T40 D63 | S22-L25 PolarHBondContact O-N 2.73Å; S22-L26 VanDerWaalsContact O-CB 3.26Å; S22-L26 WeakPolarHBondContact O-CB 3.47Å; S22-L26 PolarHBondContact O-N 2.95Å; S22-T40 PolarHBondContact OG-OG1 3.12Å; S22-D63 VanDerWaalsContact CB-OD2 3.25Å; S22-D63 WeakPolarHBondContact CB-OD2 3.47Å; S22-D63 PolarHBondContact OG-OD2 2.94Å |
| 23 | S | 97.8 | Very high | 96 | Very high | 21 Ų | 21 | 28 Ų | 28 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.2 | -38.6 | 175.3 | -48 | 0 | 0 | 0 | 0 | 112.2 | G20 K21 R27 | G20-S23 PolarHBondContact O-N 3.1Å; K21-S23 VanDerWaalsContact C-N 3.32Å; K21-S23 PolarHBondContact O-N 2.72Å; S23-R27 WeakPolarHBondContact O-CB 3.41Å; S23-R27 PolarHBondContact O-N 3.24Å |
| 24 | L | 98.3 | Very high | 96 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 173 | -74.8 | 169.1 | 0 | 0 | 0 | 110.8 | G20 K21 R27 F28 V87 V120 N122 A151 A153 V159 | G20-L24 WeakPolarHBondContact O-CG 3.35Å; G20-L24 PolarHBondContact O-N 3.32Å; K21-L24 WeakPolarHBondContact O-CB 3.45Å; K21-L24 PolarHBondContact O-N 2.71Å; L24-R27 PolarHBondContact O-N 3.35Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.5Å; L24-F28 PolarHBondContact O-N 3.14Å; L24-V87 HydrophobicContact CD1-CG1 3.76Å; L24-V87 HydrophobicContact CD1-CG2 3.98Å; L24-V120 HydrophobicContact CD1-CG1 3.98Å; L24-N122 HydrophobicContact CD1-CB 4.28Å; L24-A151 HydrophobicContact CD2-CB 4.02Å; L24-A153 HydrophobicContact CD2-CB 4.1Å; L24-A153 HydrophobicContact CG-CB 4.31Å; L24-V159 HydrophobicContact CD2-CB 4.48Å; L24-V159 HydrophobicContact CD2-CG1 4.27Å; L24-V159 HydrophobicContact CD2-CG2 3.68Å |
| 25 | L | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -48.8 | 177.3 | -179.2 | 57.1 | 0 | 0 | 0 | 111.5 | I13 K21 S22 R27 F28 T29 K46 I61 D63 | I13-L25 HydrophobicContact CD1-CB 4.07Å; I13-L25 HydrophobicContact CD1-CD1 4.38Å; K21-L25 PolarHBondContact O-N 3.46Å; S22-L25 PolarHBondContact O-N 2.73Å; L25-R27 VanDerWaalsContact C-N 3.34Å; L25-R27 PolarHBondContact O-N 2.89Å; L25-F28 PolarHBondContact O-N 3.15Å; L25-F28 VanDerWaalsContact O-N 3.16Å; L25-T29 HydrophobicContact CD1-CG2 3.76Å; L25-T29 HydrophobicContact CG-CG2 4.4Å; L25-T29 WeakPolarHBondContact O-CG2 3.43Å; L25-T29 PolarHBondContact O-N 2.61Å; L25-T29 PolarHBondContact O-OG1 3.01Å; L25-K46 HydrophobicContact CD1-CB 4.21Å; L25-K46 HydrophobicContact CD1-CG 4.49Å; L25-K46 HydrophobicContact CD2-CB 4.09Å; L25-K46 HydrophobicContact CD2-CG 3.78Å; L25-K46 HydrophobicContact CG-CB 4.38Å; L25-K46 HydrophobicContact CG-CG 4.13Å; L25-I61 HydrophobicContact CD1-CB 4.03Å; L25-I61 HydrophobicContact CD1-CD1 3.74Å; L25-I61 HydrophobicContact CD1-CG1 4.5Å; L25-I61 HydrophobicContact CD1-CG2 3.74Å; L25-I61 HydrophobicContact CD2-CG2 4.36Å; L25-D63 HydrophobicContact CD2-CB 3.65Å |
| 26 | L | 96.5 | Very high | 95.5 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 17% | 0.168 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 177.4 | -178.9 | 67.9 | 0 | 0 | 0 | 111.6 | S22 F28 T29 D30 D31 T32 D34 | S22-L26 VanDerWaalsContact O-CB 3.26Å; S22-L26 WeakPolarHBondContact O-CB 3.47Å; S22-L26 PolarHBondContact O-N 2.95Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.44Å; L26-T29 PolarHBondContact O-N 3.47Å; L26-D30 HydrophobicContact CD1-CB 4.02Å; L26-D30 WeakPolarHBondContact CD1-OD2 3.14Å; L26-D30 PolarHBondContact O-N 2.97Å; L26-D31 PolarHBondContact O-N 2.84Å; L26-T32 WeakPolarHBondContact CG-OG1 3.41Å; L26-D34 HydrophobicContact CD2-CB 4.42Å |
| 27 | R | 97.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 175.6 | 174.3 | 55.2 | 70.6 | -169.2 | -7 | 111.2 | S23 L24 L25 D31 T32 A153 V159 | S23-R27 WeakPolarHBondContact O-CB 3.41Å; S23-R27 PolarHBondContact O-N 3.24Å; L24-R27 PolarHBondContact O-N 3.35Å; L25-R27 VanDerWaalsContact C-N 3.34Å; L25-R27 PolarHBondContact O-N 2.89Å; R27-D31 WeakPolarHBondContact CD-OD1 3.39Å; R27-D31 IonicContact CZ-OD1 3.74Å; R27-D31 PolarHBondContact NH1-O 2.89Å; R27-D31 IonicContact NH1-OD1 2.8Å; R27-D31 PolarHBondContact NH1-OD1 3.19Å; R27-D31 VanDerWaalsContact O-CA 3.28Å; R27-D31 WeakPolarHBondContact O-CA 3.24Å; R27-D31 PolarHBondContact O-N 3.33Å; R27-T32 WeakPolarHBondContact CA-O 3.5Å; R27-T32 PolarHBondContact N-O 3.45Å; R27-A153 HydrophobicContact CB-CB 4.47Å; R27-A153 PolarHBondContact NE-O 3.17Å; R27-V159 HydrophobicContact CB-CG1 4.21Å; R27-V159 HydrophobicContact CG-CB 4.11Å; R27-V159 HydrophobicContact CG-CG1 3.87Å; R27-V159 HydrophobicContact CG-CG2 3.94Å |
| 28 | F | 97.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 2% | 0.022 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 178.3 | 177.2 | -115.3 | 0 | 0 | 0 | 111.9 | L24 L25 L26 K48 I50 L59 I61 V159 Q160 F163 | L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.5Å; L24-F28 PolarHBondContact O-N 3.14Å; L25-F28 PolarHBondContact O-N 3.15Å; L25-F28 VanDerWaalsContact O-N 3.16Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.44Å; F28-K48 HydrophobicContact CD1-CD 3.93Å; F28-K48 HydrophobicContact CE1-CB 4.38Å; F28-K48 HydrophobicContact CE1-CD 3.53Å; F28-K48 HydrophobicContact CE1-CG 4.44Å; F28-K48 HydrophobicContact CE2-CD 4.3Å; F28-K48 HydrophobicContact CG-CD 4.49Å; F28-K48 HydrophobicContact CZ-CD 3.73Å; F28-K48 PolarHBondContact O-NZ 2.97Å; F28-I50 HydrophobicContact CE2-CG2 4.48Å; F28-I50 HydrophobicContact CZ-CG2 3.84Å; F28-L59 HydrophobicContact CE1-CD1 3.95Å; F28-L59 HydrophobicContact CZ-CD1 3.95Å; F28-I61 HydrophobicContact CD1-CD1 4Å; F28-I61 HydrophobicContact CE1-CD1 3.79Å; F28-V159 HydrophobicContact CB-CG1 4.01Å; F28-Q160 VanDerWaalsContact CE2-OE1 3.26Å; F28-F163 HydrophobicContact CB-CD2 3.88Å; F28-F163 HydrophobicContact CB-CE2 3.65Å; F28-F163 HydrophobicContact CB-CZ 4.17Å; F28-F163 HydrophobicContact CD1-CB 4.47Å; F28-F163 AromaticContact CD1-CD1 3.85Å; F28-F163 HydrophobicContact CD1-CD1 3.85Å; F28-F163 AromaticContact CD1-CD2 3.98Å; F28-F163 HydrophobicContact CD1-CD2 3.98Å; F28-F163 AromaticContact CD1-CE1 4Å; F28-F163 HydrophobicContact CD1-CE1 4Å; F28-F163 HydrophobicContact CD1-CE2 4.14Å; F28-F163 AromaticContact CD1-CG 3.84Å; F28-F163 HydrophobicContact CD1-CG 3.84Å; F28-F163 HydrophobicContact CD1-CZ 4.15Å; F28-F163 HydrophobicContact CD2-CB 3.93Å; F28-F163 AromaticContact CD2-CD2 3.6Å; F28-F163 HydrophobicContact CD2-CD2 3.6Å; F28-F163 HydrophobicContact CD2-CE2 4.28Å; F28-F163 AromaticContact CD2-CG 3.82Å; F28-F163 HydrophobicContact CD2-CG 3.82Å; F28-F163 HydrophobicContact CE1-CB 4.04Å; F28-F163 AromaticContact CE1-CD1 3.76Å; F28-F163 HydrophobicContact CE1-CD1 3.76Å; F28-F163 HydrophobicContact CE1-CD2 4.38Å; F28-F163 HydrophobicContact CE1-CE1 4.3Å; F28-F163 AromaticContact CE1-CG 3.81Å; F28-F163 HydrophobicContact CE1-CG 3.81Å; F28-F163 HydrophobicContact CE2-CB 3.45Å; F28-F163 VanDerWaalsContact CE2-CB 3.45Å; F28-F163 HydrophobicContact CE2-CD2 4.07Å; F28-F163 AromaticContact CE2-CG 3.81Å; F28-F163 HydrophobicContact CE2-CG 3.81Å; F28-F163 HydrophobicContact CG-CB 4.4Å; F28-F163 HydrophobicContact CG-CD1 4.27Å; F28-F163 AromaticContact CG-CD2 3.54Å; F28-F163 HydrophobicContact CG-CD2 3.54Å; F28-F163 HydrophobicContact CG-CE1 4.46Å; F28-F163 AromaticContact CG-CE2 3.78Å; F28-F163 HydrophobicContact CG-CE2 3.78Å; F28-F163 AromaticContact CG-CG 3.83Å; F28-F163 HydrophobicContact CG-CG 3.83Å; F28-F163 HydrophobicContact CG-CZ 4.23Å; F28-F163 HydrophobicContact CZ-CB 3.51Å; F28-F163 HydrophobicContact CZ-CD1 4.15Å; F28-F163 HydrophobicContact CZ-CD2 4.42Å; F28-F163 AromaticContact CZ-CG 3.8Å; F28-F163 HydrophobicContact CZ-CG 3.8Å |
| 29 | T | 95.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -82.2 | -42 | -173.7 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | L25 L26 K46 K48 | L25-T29 HydrophobicContact CD1-CG2 3.76Å; L25-T29 HydrophobicContact CG-CG2 4.4Å; L25-T29 WeakPolarHBondContact O-CG2 3.43Å; L25-T29 PolarHBondContact O-N 2.61Å; L25-T29 PolarHBondContact O-OG1 3.01Å; L26-T29 PolarHBondContact O-N 3.47Å; T29-K46 HydrophobicContact CG2-CB 4.18Å; T29-K48 HydrophobicContact CG2-CB 4.4Å; T29-K48 HydrophobicContact CG2-CD 4.49Å |
| 30 | D | 95.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 48 Ų | 48 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -117.5 | -0.7 | -164.8 | -55.9 | -2.1 | 0 | 0 | 0 | 111.8 | L26 T32 K46 | L26-D30 HydrophobicContact CD1-CB 4.02Å; L26-D30 WeakPolarHBondContact CD1-OD2 3.14Å; L26-D30 PolarHBondContact O-N 2.97Å; D30-T32 PolarHBondContact O-N 2.87Å; D30-T32 VanDerWaalsContact O-N 3.15Å; D30-K46 IonicContact OD2-NZ 3.36Å |
| 31 | D | 96.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 54 Ų | 54 | 40% | 0.401 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 48.3 | 37.5 | -173.4 | -165.8 | 30.8 | 0 | 0 | 0 | 113.6 | L26 R27 R156 | L26-D31 PolarHBondContact O-N 2.84Å; R27-D31 WeakPolarHBondContact CD-OD1 3.39Å; R27-D31 IonicContact CZ-OD1 3.74Å; R27-D31 PolarHBondContact NH1-O 2.89Å; R27-D31 IonicContact NH1-OD1 2.8Å; R27-D31 PolarHBondContact NH1-OD1 3.19Å; R27-D31 VanDerWaalsContact O-CA 3.28Å; R27-D31 WeakPolarHBondContact O-CA 3.24Å; R27-D31 PolarHBondContact O-N 3.33Å; D31-R156 IonicContact OD1-CZ 3.91Å; D31-R156 IonicContact OD1-NE 2.79Å; D31-R156 PolarHBondContact OD1-NE 3.37Å; D31-R156 IonicContact OD1-NH1 3.28Å; D31-R156 PolarHBondContact OD1-NH1 2.87Å; D31-R156 IonicContact OD1-NH2 3.48Å; D31-R156 IonicContact OD2-CZ 3.79Å; D31-R156 IonicContact OD2-NH1 3.42Å; D31-R156 PolarHBondContact OD2-NH1 3.21Å; D31-R156 IonicContact OD2-NH2 2.73Å; D31-R156 PolarHBondContact OD2-NH2 3.15Å; D31-R156 VanDerWaalsContact OD2-NH2 3.1Å |
| 32 | T | 96.2 | Very high | 92.3 | Very high | 68 Ų | 68 | 55 Ų | 55 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | trans | -121.8 | 162.2 | 177 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | L26 R27 D30 | L26-T32 WeakPolarHBondContact CG-OG1 3.41Å; R27-T32 WeakPolarHBondContact CA-O 3.5Å; R27-T32 PolarHBondContact N-O 3.45Å; D30-T32 PolarHBondContact O-N 2.87Å; D30-T32 VanDerWaalsContact O-N 3.15Å | ||
| 33 | F | 96.4 | Very high | 91.8 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | trans | -140.9 | 128.2 | 172.8 | 171.5 | -96.3 | 0 | 0 | 0 | 108.6 | P35 A153 K154 | F33-P35 HydrophobicContact CE1-CB 3.94Å; F33-P35 HydrophobicContact CZ-CB 4.4Å; F33-A153 HydrophobicContact CD2-CB 4.14Å; F33-A153 HydrophobicContact CE2-CB 4.37Å; F33-K154 HydrophobicContact CD1-CB 4.44Å; F33-K154 HydrophobicContact CD1-CG 4.18Å; F33-K154 HydrophobicContact CD2-CB 4.3Å; F33-K154 HydrophobicContact CE1-CB 4.22Å; F33-K154 HydrophobicContact CE1-CG 3.95Å; F33-K154 HydrophobicContact CE2-CB 4.08Å; F33-K154 HydrophobicContact CG-CB 4.48Å; F33-K154 HydrophobicContact CZ-CB 4.04Å; F33-K154 HydrophobicContact CZ-CG 4.22Å | ||
| 34 | D | 94.4 | Very high | 91.3 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -115.7 | 113.5 | 175.6 | -178.4 | -0.7 | 0 | 0 | 0 | 108.7 | L26 D36 L37 | L26-D34 HydrophobicContact CD2-CB 4.42Å; D34-D36 PolarHBondContact O-N 2.99Å; D34-D36 PolarHBondContact OD1-N 3.02Å; D34-L37 HydrophobicContact CB-CB 4.2Å; D34-L37 WeakPolarHBondContact O-CB 3.43Å; D34-L37 PolarHBondContact O-N 2.98Å | ||
| 35 | P | 89.4 | Confident | 91 | Very high | 96 Ų | 96 | 62.1 Ų | 62.1 | 62% | 0.623 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.2 | 177.2 | 28.7 | -34.2 | 0 | 0 | 0 | 113 | F33 | F33-P35 HydrophobicContact CE1-CB 3.94Å; F33-P35 HydrophobicContact CZ-CB 4.4Å |
| 36 | D | 90.8 | Very high | 90.8 | Very high | 139 Ų | 139 | 65.2 Ų | 65.2 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 14.2 | -176 | -61.4 | -44.5 | 0 | 0 | 0 | 112.1 | D34 A38 | D34-D36 PolarHBondContact O-N 2.99Å; D34-D36 PolarHBondContact OD1-N 3.02Å; D36-A38 PolarHBondContact O-N 2.84Å; D36-A38 VanDerWaalsContact O-N 3.08Å |
| 37 | L | 89.3 | Confident | 90.7 | Very high | 67 Ų | 67 | 67 Ų | 67 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 117.9 | 179.2 | -172.6 | 65.1 | 0 | 0 | 0 | 110.6 | D34 | D34-L37 HydrophobicContact CB-CB 4.2Å; D34-L37 WeakPolarHBondContact O-CB 3.43Å; D34-L37 PolarHBondContact O-N 2.98Å |
| 38 | A | 86.8 | Confident | 90.6 | Very high | 80 Ų | 80 | 68.2 Ų | 68.2 | 66% | 0.661 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 152.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D36 T40 | D36-A38 PolarHBondContact O-N 2.84Å; D36-A38 VanDerWaalsContact O-N 3.08Å; A38-T40 PolarHBondContact O-N 3.45Å |
| 39 | A | 85.3 | Confident | 90.5 | Very high | 63 Ų | 63 | 71.4 Ų | 71.4 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -62 | 132.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | I41 | A39-I41 PolarHBondContact O-N 3.08Š|
| 40 | T | 80.4 | Confident | 90.5 | Very high | 32 Ų | 32 | 70.6 Ų | 70.6 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 128.3 | 174.8 | -46.2 | 0 | 0 | 0 | 0 | 110.7 | S22 A38 D44 D63 A65 | S22-T40 PolarHBondContact OG-OG1 3.12Å; A38-T40 PolarHBondContact O-N 3.45Å; T40-D44 HydrophobicContact CG2-CB 4.43Å; T40-D63 PolarHBondContact OG1-OD2 2.94Å; T40-A65 VanDerWaalsContact O-CB 3.24Å; T40-A65 WeakPolarHBondContact O-CB 3.28Å |
| 41 | I | 80.6 | Confident | 90.4 | Very high | 139 Ų | 139 | 70.2 Ų | 70.2 | 71% | 0.713 | 41% | 0.412 | S | S | * | . | trans | -99.8 | 115.3 | 172 | -58.5 | 176.2 | 0 | 0 | 0 | 107.2 | A39 V43 F70 | A39-I41 PolarHBondContact O-N 3.08Å; I41-V43 PolarHBondContact O-N 2.96Å; I41-F70 HydrophobicContact CG2-CE1 4.46Å; I41-F70 HydrophobicContact CG2-CZ 4.34Å | ||
| 42 | G | 79.9 | Confident | 90 | Very high | 28 Ų | 28 | 67.1 Ų | 67.1 | 29% | 0.289 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 73.1 | -114.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A65 | G42-A65 WeakPolarHBondContact O-CB 3.25Å; G42-A65 PolarHBondContact O-N 3.19Å |
| 43 | V | 84.9 | Confident | 89.5 | Confident | 38 Ų | 38 | 69.3 Ų | 69.3 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 134 | -174.8 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | I41 W62 D63 L73 Y77 | I41-V43 PolarHBondContact O-N 2.96Å; V43-W62 HydrophobicContact CG1-CB 4.3Å; V43-W62 HydrophobicContact CG1-CE3 3.58Å; V43-W62 HydrophobicContact CG1-CZ3 4.33Å; V43-D63 CarbonylContact C-O 3.59Å; V43-D63 VanDerWaalsContact CA-O 3.29Å; V43-D63 WeakPolarHBondContact CA-O 3.32Å; V43-D63 VanDerWaalsContact CG1-O 3.28Å; V43-D63 WeakPolarHBondContact CG1-O 3.31Å; V43-L73 HydrophobicContact CG2-CD2 3.5Å; V43-L73 HydrophobicContact CG2-CG 4.26Å; V43-Y77 HydrophobicContact CB-CE1 4.49Å; V43-Y77 HydrophobicContact CG1-CD1 4.47Å; V43-Y77 HydrophobicContact CG1-CE1 4.42Å; V43-Y77 HydrophobicContact CG2-CD2 4.08Å; V43-Y77 HydrophobicContact CG2-CE1 4.4Å; V43-Y77 HydrophobicContact CG2-CE2 3.77Å; V43-Y77 HydrophobicContact CG2-CG 4.48Å |
| 44 | D | 88.7 | Confident | 88.9 | Confident | 74 Ų | 74 | 69.5 Ų | 69.5 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 152.7 | 169.9 | -170.3 | 27.8 | 0 | 0 | 0 | 110.7 | T40 W62 D63 | T40-D44 HydrophobicContact CG2-CB 4.43Å; D44-W62 WeakPolarHBondContact O-CA 3.5Å; D44-D63 HydrophobicContact CB-CB 4.35Å; D44-D63 PolarHBondContact N-O 2.78Å; D44-D63 PolarHBondContact O-N 3.19Å |
| 45 | F | 90.8 | Very high | 88.6 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 125.2 | -175.6 | 176.7 | -104.9 | 0 | 0 | 0 | 111.2 | V47 A60 I61 W62 | F45-V47 HydrophobicContact CD1-CG2 4.46Å; F45-V47 HydrophobicContact CE1-CG2 3.43Å; F45-V47 VanDerWaalsContact CE1-CG2 3.43Å; F45-V47 HydrophobicContact CE2-CG2 4.41Å; F45-V47 HydrophobicContact CZ-CG2 3.4Å; F45-V47 VanDerWaalsContact CZ-CG2 3.4Å; F45-A60 HydrophobicContact CE2-CB 3.79Å; F45-A60 HydrophobicContact CZ-CB 4.01Å; F45-I61 WeakPolarHBondContact CA-O 3.43Å; F45-W62 HydrophobicContact CB-CE3 4.33Å; F45-W62 HydrophobicContact CB-CZ3 4.36Å; F45-W62 AromaticContact CD2-CD2 3.86Å; F45-W62 HydrophobicContact CD2-CD2 3.86Å; F45-W62 AromaticContact CD2-CE2 3.72Å; F45-W62 HydrophobicContact CD2-CE3 4.16Å; F45-W62 HydrophobicContact CD2-CG 4.3Å; F45-W62 HydrophobicContact CD2-CH2 4.36Å; F45-W62 HydrophobicContact CD2-CZ2 4.02Å; F45-W62 HydrophobicContact CD2-CZ3 4.39Å; F45-W62 AromaticContact CD2-NE1 3.96Å; F45-W62 HydrophobicContact CE2-CZ2 4.25Å; F45-W62 AromaticContact CE2-NE1 3.91Å |
| 46 | K | 93.8 | Very high | 88.7 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 30% | 0.3 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149 | 176.6 | -68.1 | -74.8 | -173.1 | 160.3 | 0 | 111 | L25 T29 D30 I61 | L25-K46 HydrophobicContact CD1-CB 4.21Å; L25-K46 HydrophobicContact CD1-CG 4.49Å; L25-K46 HydrophobicContact CD2-CB 4.09Å; L25-K46 HydrophobicContact CD2-CG 3.78Å; L25-K46 HydrophobicContact CG-CB 4.38Å; L25-K46 HydrophobicContact CG-CG 4.13Å; T29-K46 HydrophobicContact CG2-CB 4.18Å; D30-K46 IonicContact OD2-NZ 3.36Å; K46-I61 PolarHBondContact N-O 3.1Å; K46-I61 PolarHBondContact O-N 3.31Å |
| 47 | V | 95 | Very high | 88.8 | Confident | 68 Ų | 68 | 58.9 Ų | 58.9 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.8 | 174 | 175.5 | 0 | 0 | 0 | 0 | 109.4 | F45 K58 L59 | F45-V47 HydrophobicContact CD1-CG2 4.46Å; F45-V47 HydrophobicContact CE1-CG2 3.43Å; F45-V47 VanDerWaalsContact CE1-CG2 3.43Å; F45-V47 HydrophobicContact CE2-CG2 4.41Å; F45-V47 HydrophobicContact CZ-CG2 3.4Å; F45-V47 VanDerWaalsContact CZ-CG2 3.4Å; V47-K58 HydrophobicContact CG1-CD 4.15Å; V47-K58 HydrophobicContact CG1-CG 3.78Å; V47-L59 WeakPolarHBondContact CA-O 3.32Å |
| 48 | K | 95 | Very high | 89.1 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 21% | 0.209 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 132.7 | 172.5 | -175.9 | 178.7 | -178.6 | -176.1 | 0 | 110.1 | F28 T29 I50 L59 | F28-K48 HydrophobicContact CD1-CD 3.93Å; F28-K48 HydrophobicContact CE1-CB 4.38Å; F28-K48 HydrophobicContact CE1-CD 3.53Å; F28-K48 HydrophobicContact CE1-CG 4.44Å; F28-K48 HydrophobicContact CE2-CD 4.3Å; F28-K48 HydrophobicContact CG-CD 4.49Å; F28-K48 HydrophobicContact CZ-CD 3.73Å; F28-K48 PolarHBondContact O-NZ 2.97Å; T29-K48 HydrophobicContact CG2-CB 4.4Å; T29-K48 HydrophobicContact CG2-CD 4.49Å; K48-I50 HydrophobicContact CD-CG2 4Å; K48-I50 HydrophobicContact CG-CG2 4.03Å; K48-L59 PolarHBondContact N-O 3.03Å; K48-L59 WeakPolarHBondContact O-CB 3.47Å; K48-L59 PolarHBondContact O-N 3.03Å |
| 49 | T | 95.6 | Very high | 89.6 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 132.8 | 169 | -55.9 | 0 | 0 | 0 | 0 | 109 | V5 S56 A57 | V5-T49 HydrophobicContact CG2-CG2 4.28Å; T49-S56 WeakPolarHBondContact CG2-OG 3.43Å; T49-A57 WeakPolarHBondContact CA-O 3.28Å |
| 50 | I | 94.9 | Very high | 90.1 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 155.1 | 174.4 | 65.8 | 166.8 | 0 | 0 | 0 | 110.3 | F28 K48 V52 S56 A57 L59 E164 V167 | F28-I50 HydrophobicContact CE2-CG2 4.48Å; F28-I50 HydrophobicContact CZ-CG2 3.84Å; K48-I50 HydrophobicContact CD-CG2 4Å; K48-I50 HydrophobicContact CG-CG2 4.03Å; I50-V52 HydrophobicContact CD1-CG2 3.49Å; I50-V52 VanDerWaalsContact CD1-CG2 3.49Å; I50-V52 HydrophobicContact CG1-CG2 4Å; I50-S56 CarbonylContact O-C 3.55Å; I50-S56 WeakPolarHBondContact O-CA 3.47Å; I50-A57 PolarHBondContact N-O 3.32Å; I50-A57 PolarHBondContact O-N 3.38Å; I50-L59 HydrophobicContact CD1-CD1 3.82Å; I50-L59 HydrophobicContact CD1-CG 4.46Å; I50-L59 HydrophobicContact CG1-CD1 4.06Å; I50-L59 HydrophobicContact CG1-CG 4.23Å; I50-L59 HydrophobicContact CG2-CD1 4.46Å; I50-E164 HydrophobicContact CD1-CG 4.36Å; I50-V167 HydrophobicContact CD1-CB 4.11Å; I50-V167 HydrophobicContact CD1-CG1 4.09Å; I50-V167 HydrophobicContact CD1-CG2 4Å |
| 51 | A | 93 | Very high | 90.8 | Very high | 74 Ų | 74 | 52 Ų | 52 | 61% | 0.612 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | N55 | A51-N55 CarbonylContact C-O 3.53Å; A51-N55 WeakPolarHBondContact CA-O 3.49Å |
| 52 | V | 89.3 | Confident | 91.4 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.8 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | I50 G54 N55 E164 V167 E168 | I50-V52 HydrophobicContact CD1-CG2 3.49Å; I50-V52 VanDerWaalsContact CD1-CG2 3.49Å; I50-V52 HydrophobicContact CG1-CG2 4Å; V52-G54 PolarHBondContact O-N 2.92Å; V52-N55 PolarHBondContact N-O 3.18Å; V52-N55 WeakPolarHBondContact O-CB 3.3Å; V52-N55 PolarHBondContact O-N 3.13Å; V52-E164 HydrophobicContact CG2-CG 4.33Å; V52-V167 HydrophobicContact CB-CG1 4.37Å; V52-V167 HydrophobicContact CG2-CB 4.43Å; V52-V167 HydrophobicContact CG2-CG1 4.01Å; V52-E168 HydrophobicContact CG1-CB 3.69Å; V52-E168 HydrophobicContact CG1-CG 4Å |
| 53 | D | 85.3 | Confident | 92 | Very high | 113 Ų | 113 | 47.2 Ų | 47.2 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 38.5 | -176.3 | -68.8 | -13.8 | 0 | 0 | 0 | 114.4 | N55 E168 | D53-N55 PolarHBondContact O-N 2.93Å; D53-N55 PolarHBondContact O-ND2 3.33Å; D53-E168 WeakPolarHBondContact OD2-CG 3.38Å |
| 54 | G | 84.1 | Confident | 92 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 81% | 0.814 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 2.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | V52 | V52-G54 PolarHBondContact O-N 2.92Š|
| 55 | N | 87.2 | Confident | 91.7 | Very high | 63 Ų | 63 | 41.9 Ų | 41.9 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.3 | 175.2 | -62.2 | -64 | 0 | 0 | 0 | 110.7 | L6 A51 V52 D53 L171 | L6-N55 HydrophobicContact CD2-CB 3.74Å; A51-N55 CarbonylContact C-O 3.53Å; A51-N55 WeakPolarHBondContact CA-O 3.49Å; V52-N55 PolarHBondContact N-O 3.18Å; V52-N55 WeakPolarHBondContact O-CB 3.3Å; V52-N55 PolarHBondContact O-N 3.13Å; D53-N55 PolarHBondContact O-N 2.93Å; D53-N55 PolarHBondContact O-ND2 3.33Å; N55-L171 HydrophobicContact CB-CD1 4.13Å |
| 56 | S | 91.4 | Very high | 90.5 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 119.8 | 172.6 | -173.7 | 0 | 0 | 0 | 0 | 110 | V5 L6 T49 I50 | V5-S56 CarbonylContact C-O 3.59Å; L6-S56 VanDerWaalsContact CB-O 3.29Å; L6-S56 WeakPolarHBondContact CB-O 3.23Å; L6-S56 PolarHBondContact N-O 3.36Å; T49-S56 WeakPolarHBondContact CG2-OG 3.43Å; I50-S56 CarbonylContact O-C 3.55Å; I50-S56 WeakPolarHBondContact O-CA 3.47Å |
| 57 | A | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | L9 T49 I50 V167 | L9-A57 HydrophobicContact CD1-CB 4.36Å; T49-A57 WeakPolarHBondContact CA-O 3.28Å; I50-A57 PolarHBondContact N-O 3.32Å; I50-A57 PolarHBondContact O-N 3.38Å; A57-V167 HydrophobicContact CB-CG1 4.3Å |
| 58 | K | 95.9 | Very high | 87.2 | Confident | 84 Ų | 84 | 40.3 Ų | 40.3 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.3 | 173.7 | -176.2 | -179.9 | -174.3 | 177.8 | 0 | 109.6 | V5 T7 T8 L9 V47 | V5-K58 HydrophobicContact CG1-CB 3.75Å; T7-K58 PolarHBondContact O-N 3.45Å; T8-K58 CarbonylContact C-O 3.6Å; T8-K58 WeakPolarHBondContact CA-O 3.41Å; T8-K58 HydrophobicContact CG2-CB 4.45Å; T8-K58 HydrophobicContact CG2-CD 4.45Å; T8-K58 HydrophobicContact CG2-CG 4.39Å; L9-K58 PolarHBondContact N-O 3.26Å; V47-K58 HydrophobicContact CG1-CD 4.15Å; V47-K58 HydrophobicContact CG1-CG 3.78Å |
| 59 | L | 96.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.3 | 177.6 | -49.1 | -174.2 | 0 | 0 | 0 | 109.7 | L9 F28 V47 K48 I50 I61 V167 | L9-L59 HydrophobicContact CB-CD2 3.99Å; L9-L59 HydrophobicContact CD1-CD2 4.08Å; L9-L59 HydrophobicContact CG-CD2 4.4Å; L9-L59 WeakPolarHBondContact O-CA 3.2Å; F28-L59 HydrophobicContact CE1-CD1 3.95Å; F28-L59 HydrophobicContact CZ-CD1 3.95Å; V47-L59 WeakPolarHBondContact CA-O 3.32Å; K48-L59 PolarHBondContact N-O 3.03Å; K48-L59 WeakPolarHBondContact O-CB 3.47Å; K48-L59 PolarHBondContact O-N 3.03Å; I50-L59 HydrophobicContact CD1-CD1 3.82Å; I50-L59 HydrophobicContact CD1-CG 4.46Å; I50-L59 HydrophobicContact CG1-CD1 4.06Å; I50-L59 HydrophobicContact CG1-CG 4.23Å; I50-L59 HydrophobicContact CG2-CD1 4.46Å; L59-I61 HydrophobicContact CB-CD1 4.03Å; L59-I61 HydrophobicContact CB-CG1 3.83Å; L59-I61 HydrophobicContact CD1-CD1 4.37Å; L59-V167 HydrophobicContact CD1-CG2 3.87Å; L59-V167 HydrophobicContact CD2-CG1 4.39Å; L59-V167 HydrophobicContact CD2-CG2 3.48Å; L59-V167 VanDerWaalsContact CD2-CG2 3.48Å; L59-V167 HydrophobicContact CG-CG2 4.32Å |
| 60 | A | 96 | Very high | 83.6 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 12% | 0.116 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 96.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | T8 L9 K10 I11 F45 | T8-A60 HydrophobicContact CG2-CB 4.11Å; L9-A60 PolarHBondContact O-N 3.46Å; K10-A60 WeakPolarHBondContact CA-O 3.45Å; I11-A60 PolarHBondContact N-O 2.92Å; F45-A60 HydrophobicContact CE2-CB 3.79Å; F45-A60 HydrophobicContact CZ-CB 4.01Å |
| 61 | I | 96 | Very high | 81.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.4 | -166.3 | -47.8 | 170.5 | 0 | 0 | 0 | 110 | I11 I13 L25 F28 F45 K46 L59 F163 | I11-I61 HydrophobicContact CB-CG1 4.32Å; I11-I61 HydrophobicContact CB-CG2 4.41Å; I11-I61 HydrophobicContact CG2-CG2 4.48Å; I11-I61 WeakPolarHBondContact O-CA 3.35Å; I13-I61 HydrophobicContact CD1-CG2 3.73Å; I13-I61 HydrophobicContact CG1-CG2 3.9Å; L25-I61 HydrophobicContact CD1-CB 4.03Å; L25-I61 HydrophobicContact CD1-CD1 3.74Å; L25-I61 HydrophobicContact CD1-CG1 4.5Å; L25-I61 HydrophobicContact CD1-CG2 3.74Å; L25-I61 HydrophobicContact CD2-CG2 4.36Å; F28-I61 HydrophobicContact CD1-CD1 4Å; F28-I61 HydrophobicContact CE1-CD1 3.79Å; F45-I61 WeakPolarHBondContact CA-O 3.43Å; K46-I61 PolarHBondContact N-O 3.1Å; K46-I61 PolarHBondContact O-N 3.31Å; L59-I61 HydrophobicContact CB-CD1 4.03Å; L59-I61 HydrophobicContact CB-CG1 3.83Å; L59-I61 HydrophobicContact CD1-CD1 4.37Å; I61-F163 HydrophobicContact CD1-CD1 4.34Å; I61-F163 HydrophobicContact CD1-CE1 4.08Å; I61-F163 HydrophobicContact CG2-CE1 4.47Å |
| 62 | W | 93.5 | Very high | 79.8 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 24% | 0.242 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 110.4 | 178.4 | -64.5 | 85.3 | 0 | 0 | 0 | 109.7 | I11 L12 I13 V43 D44 F45 Y77 | I11-W62 PolarHBondContact O-N 2.68Å; L12-W62 HydrophobicContact CD1-CB 3.69Å; I13-W62 PolarHBondContact N-O 3.37Å; V43-W62 HydrophobicContact CG1-CB 4.3Å; V43-W62 HydrophobicContact CG1-CE3 3.58Å; V43-W62 HydrophobicContact CG1-CZ3 4.33Å; D44-W62 WeakPolarHBondContact O-CA 3.5Å; F45-W62 HydrophobicContact CB-CE3 4.33Å; F45-W62 HydrophobicContact CB-CZ3 4.36Å; F45-W62 AromaticContact CD2-CD2 3.86Å; F45-W62 HydrophobicContact CD2-CD2 3.86Å; F45-W62 AromaticContact CD2-CE2 3.72Å; F45-W62 HydrophobicContact CD2-CE3 4.16Å; F45-W62 HydrophobicContact CD2-CG 4.3Å; F45-W62 HydrophobicContact CD2-CH2 4.36Å; F45-W62 HydrophobicContact CD2-CZ2 4.02Å; F45-W62 HydrophobicContact CD2-CZ3 4.39Å; F45-W62 AromaticContact CD2-NE1 3.96Å; F45-W62 HydrophobicContact CE2-CZ2 4.25Å; F45-W62 AromaticContact CE2-NE1 3.91Å; W62-Y77 HydrophobicContact CD2-CD1 4.1Å; W62-Y77 AromaticContact CE3-CD1 3.6Å; W62-Y77 HydrophobicContact CE3-CD1 3.6Å; W62-Y77 AromaticContact CE3-CE1 3.7Å; W62-Y77 HydrophobicContact CE3-CE1 3.7Å; W62-Y77 HydrophobicContact CH2-CD1 4.13Å; W62-Y77 AromaticContact CH2-CE1 3.87Å; W62-Y77 HydrophobicContact CH2-CE1 3.87Å; W62-Y77 AromaticContact CZ3-CD1 3.63Å; W62-Y77 HydrophobicContact CZ3-CD1 3.63Å; W62-Y77 AromaticContact CZ3-CE1 3.29Å; W62-Y77 HydrophobicContact CZ3-CE1 3.29Å |
| 63 | D | 90.9 | Very high | 78.2 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 123.5 | 172.3 | 176.1 | 45.9 | 0 | 0 | 0 | 110.2 | K21 S22 L25 T40 V43 D44 | K21-D63 WeakPolarHBondContact CB-OD1 3.34Å; S22-D63 VanDerWaalsContact CB-OD2 3.25Å; S22-D63 WeakPolarHBondContact CB-OD2 3.47Å; S22-D63 PolarHBondContact OG-OD2 2.94Å; L25-D63 HydrophobicContact CD2-CB 3.65Å; T40-D63 PolarHBondContact OG1-OD2 2.94Å; V43-D63 CarbonylContact C-O 3.59Å; V43-D63 VanDerWaalsContact CA-O 3.29Å; V43-D63 WeakPolarHBondContact CA-O 3.32Å; V43-D63 VanDerWaalsContact CG1-O 3.28Å; V43-D63 WeakPolarHBondContact CG1-O 3.31Å; D44-D63 HydrophobicContact CB-CB 4.35Å; D44-D63 PolarHBondContact N-O 2.78Å; D44-D63 PolarHBondContact O-N 3.19Å |
| 64 | T | 85.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 144.6 | -172.4 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | L12 I13 I14 K21 G66 L73 | L12-T64 HydrophobicContact CD1-CG2 3.49Å; L12-T64 VanDerWaalsContact CD1-CG2 3.49Å; L12-T64 HydrophobicContact CG-CG2 4.25Å; I13-T64 WeakPolarHBondContact O-CB 3.29Å; I13-T64 WeakPolarHBondContact O-CG2 3.41Å; I13-T64 PolarHBondContact O-N 2.83Å; I13-T64 PolarHBondContact O-OG1 2.73Å; I14-T64 HydrophobicContact CG2-CG2 4.23Å; K21-T64 WeakPolarHBondContact CE-O 3.45Å; K21-T64 PolarHBondContact NZ-O 3.38Å; T64-G66 PolarHBondContact O-N 3.15Å; T64-L73 HydrophobicContact CG2-CD1 4.24Å; T64-L73 HydrophobicContact CG2-CD2 3.41Å; T64-L73 VanDerWaalsContact CG2-CD2 3.41Å; T64-L73 HydrophobicContact CG2-CG 4.47Å |
| 65 | A | 81.8 | Confident | 76.4 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 129 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T40 G42 Q67 F70 | T40-A65 VanDerWaalsContact O-CB 3.24Å; T40-A65 WeakPolarHBondContact O-CB 3.28Å; G42-A65 WeakPolarHBondContact O-CB 3.25Å; G42-A65 PolarHBondContact O-N 3.19Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; A65-F70 HydrophobicContact CB-CB 3.9Å; A65-F70 HydrophobicContact CB-CD2 4.29Å; A65-F70 HydrophobicContact CB-CG 4.43Å |
| 66 | G | 66.4 | Low | 75.8 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | trans | -86.5 | -2.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | G15 S17 T64 | G15-G66 VanDerWaalsContact O-CA 3.25Å; G15-G66 WeakPolarHBondContact O-CA 3.28Å; S17-G66 PolarHBondContact N-O 2.79Å; T64-G66 PolarHBondContact O-N 3.15Å | ||
| 67 | Q | 62.2 | Low | 75.4 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -77.6 | 131.2 | 178.6 | -84.2 | -166.2 | 34 | 0 | 0 | 110.5 | A65 R69 F70 R71 | A65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-R69 PolarHBondContact O-N 3.49Å; Q67-R69 VanDerWaalsContact O-N 3.15Å; Q67-F70 HydrophobicContact CB-CD2 3.91Å; Q67-F70 CarbonylContact O-C 3.45Å; Q67-F70 WeakPolarHBondContact O-CA 3.43Å; Q67-F70 PolarHBondContact O-N 2.7Å; Q67-R71 PolarHBondContact O-N 2.88Å; Q67-R71 VanDerWaalsContact O-N 3.07Å |
| 68 | E | 57.8 | Low | 75.1 | Confident | 135 Ų | 135 | 51.5 Ų | 51.5 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -53.4 | -32.4 | 176.7 | 66.3 | -147.4 | 167.9 | 0 | 0 | 114.5 | F70 R71 | E68-F70 PolarHBondContact O-N 2.64Å; E68-R71 WeakPolarHBondContact O-CB 3.36Å; E68-R71 PolarHBondContact O-N 3.45Å |
| 69 | R | 56.6 | Low | 74.5 | Confident | 190 Ų | 190 | 55.3 Ų | 55.3 | 72% | 0.717 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -65 | -19 | 175.1 | -63.5 | -175.3 | -64.1 | -174.2 | -0.4 | 113.6 | Q67 | Q67-R69 PolarHBondContact O-N 3.49Å; Q67-R69 VanDerWaalsContact O-N 3.15Å |
| 70 | F | 57.5 | Low | 74.1 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 37% | 0.368 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -114.4 | 5 | 174.8 | -54.5 | -63.5 | 0 | 0 | 0 | 112.3 | I41 A65 Q67 E68 T72 L73 | I41-F70 HydrophobicContact CG2-CE1 4.46Å; I41-F70 HydrophobicContact CG2-CZ 4.34Å; A65-F70 HydrophobicContact CB-CB 3.9Å; A65-F70 HydrophobicContact CB-CD2 4.29Å; A65-F70 HydrophobicContact CB-CG 4.43Å; Q67-F70 HydrophobicContact CB-CD2 3.91Å; Q67-F70 CarbonylContact O-C 3.45Å; Q67-F70 WeakPolarHBondContact O-CA 3.43Å; Q67-F70 PolarHBondContact O-N 2.7Å; E68-F70 PolarHBondContact O-N 2.64Å; F70-T72 CarbonylContact O-C 3.56Å; F70-T72 PolarHBondContact O-N 3.46Å; F70-L73 PolarHBondContact O-N 3.16Å |
| 71 | R | 53.7 | Low | 73.9 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | trans | -69.5 | -10.5 | 179 | -85.6 | -176.7 | -146.9 | -172.5 | 4.3 | 114.2 | E16 Q67 E68 L73 W102 | E16-R71 IonicContact OE1-CZ 3.32Å; E16-R71 VanDerWaalsContact OE1-CZ 3.31Å; E16-R71 IonicContact OE1-NH1 3.77Å; E16-R71 IonicContact OE1-NH2 3.46Å; E16-R71 PolarHBondContact OE1-NH2 3.44Å; E16-R71 IonicContact OE2-CZ 3.68Å; E16-R71 IonicContact OE2-NH2 2.82Å; E16-R71 PolarHBondContact OE2-NH2 3.42Å; Q67-R71 PolarHBondContact O-N 2.88Å; Q67-R71 VanDerWaalsContact O-N 3.07Å; E68-R71 WeakPolarHBondContact O-CB 3.36Å; E68-R71 PolarHBondContact O-N 3.45Å; R71-L73 PolarHBondContact O-N 2.91Å; R71-W102 HydrophobicContact CG-CH2 3.85Å; R71-W102 HydrophobicContact CG-CZ2 4.31Å | ||
| 72 | T | 53.9 | Low | 73.8 | Confident | 130 Ų | 130 | 57.4 Ų | 57.4 | 80% | 0.798 | 28% | 0.283 | S | S | * | . | trans | -70.9 | 53.8 | 157.2 | -38.3 | 0 | 0 | 0 | 0 | 109 | F70 T74 | F70-T72 CarbonylContact O-C 3.56Å; F70-T72 PolarHBondContact O-N 3.46Å; T72-T74 PolarHBondContact O-N 3.47Å | ||
| 73 | L | 57.2 | Low | 73.9 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | trans | -53.4 | 126.9 | 158.9 | -93.2 | 116.6 | 0 | 0 | 0 | 105.5 | V43 T64 F70 R71 P75 Y77 Y78 | V43-L73 HydrophobicContact CG2-CD2 3.5Å; V43-L73 HydrophobicContact CG2-CG 4.26Å; T64-L73 HydrophobicContact CG2-CD1 4.24Å; T64-L73 HydrophobicContact CG2-CD2 3.41Å; T64-L73 VanDerWaalsContact CG2-CD2 3.41Å; T64-L73 HydrophobicContact CG2-CG 4.47Å; F70-L73 PolarHBondContact O-N 3.16Å; R71-L73 PolarHBondContact O-N 2.91Å; L73-P75 WeakPolarHBondContact O-CD 3.26Å; L73-Y77 HydrophobicContact CB-CD2 4.39Å; L73-Y77 HydrophobicContact CD2-CD2 3.76Å; L73-Y77 HydrophobicContact CD2-CG 4.17Å; L73-Y78 HydrophobicContact CB-CE2 4.07Å | ||
| 74 | T | 61.7 | Low | 74.2 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | trans | -56.3 | 129.2 | 177.1 | -45.6 | 0 | 0 | 0 | 0 | 107.3 | T72 S76 Y77 | T72-T74 PolarHBondContact O-N 3.47Å; T74-S76 VanDerWaalsContact CB-OG 3.24Å; T74-S76 WeakPolarHBondContact CB-OG 3.4Å; T74-S76 WeakPolarHBondContact CG2-OG 3.34Å; T74-S76 PolarHBondContact O-N 2.85Å; T74-S76 PolarHBondContact O-OG 2.88Å; T74-Y77 WeakPolarHBondContact O-CD2 3.5Å; T74-Y77 PolarHBondContact O-N 3.46Å | ||
| 75 | P | 69.3 | Low | 74.8 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -18.5 | 177.7 | -31.9 | 36.6 | 0 | 0 | 0 | 114.3 | L73 Y77 Y78 R79 Y109 | L73-P75 WeakPolarHBondContact O-CD 3.26Å; P75-Y77 VanDerWaalsContact C-N 3.27Å; P75-Y77 PolarHBondContact O-N 3.39Å; P75-Y78 PolarHBondContact O-N 3.41Å; P75-R79 PolarHBondContact O-N 2.98Å; P75-Y109 HydrophobicContact CB-CD1 3.72Å; P75-Y109 HydrophobicContact CB-CE1 4.24Å; P75-Y109 HydrophobicContact CB-CG 4.11Å; P75-Y109 HydrophobicContact CG-CD1 3.73Å; P75-Y109 HydrophobicContact CG-CE1 3.71Å; P75-Y109 HydrophobicContact CG-CG 4.32Å |
| 76 | S | 75.4 | Confident | 75.5 | Confident | 67 Ų | 67 | 54.3 Ų | 54.3 | 47% | 0.469 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.8 | 171.3 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | K10 T74 | K10-S76 PolarHBondContact NZ-O 3.4Å; T74-S76 VanDerWaalsContact CB-OG 3.24Å; T74-S76 WeakPolarHBondContact CB-OG 3.4Å; T74-S76 WeakPolarHBondContact CG2-OG 3.34Å; T74-S76 PolarHBondContact O-N 2.85Å; T74-S76 PolarHBondContact O-OG 2.88Å |
| 77 | Y | 82.9 | Confident | 77.1 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 25% | 0.247 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -37.8 | 179.7 | -64.1 | -64.3 | 0 | 0 | 0 | 112.1 | K10 V43 W62 L73 T74 P75 | K10-Y77 WeakPolarHBondContact CE-O 3.37Å; K10-Y77 PolarHBondContact NZ-O 3.18Å; V43-Y77 HydrophobicContact CB-CE1 4.49Å; V43-Y77 HydrophobicContact CG1-CD1 4.47Å; V43-Y77 HydrophobicContact CG1-CE1 4.42Å; V43-Y77 HydrophobicContact CG2-CD2 4.08Å; V43-Y77 HydrophobicContact CG2-CE1 4.4Å; V43-Y77 HydrophobicContact CG2-CE2 3.77Å; V43-Y77 HydrophobicContact CG2-CG 4.48Å; W62-Y77 HydrophobicContact CD2-CD1 4.1Å; W62-Y77 AromaticContact CE3-CD1 3.6Å; W62-Y77 HydrophobicContact CE3-CD1 3.6Å; W62-Y77 AromaticContact CE3-CE1 3.7Å; W62-Y77 HydrophobicContact CE3-CE1 3.7Å; W62-Y77 HydrophobicContact CH2-CD1 4.13Å; W62-Y77 AromaticContact CH2-CE1 3.87Å; W62-Y77 HydrophobicContact CH2-CE1 3.87Å; W62-Y77 AromaticContact CZ3-CD1 3.63Å; W62-Y77 HydrophobicContact CZ3-CD1 3.63Å; W62-Y77 AromaticContact CZ3-CE1 3.29Å; W62-Y77 HydrophobicContact CZ3-CE1 3.29Å; L73-Y77 HydrophobicContact CB-CD2 4.39Å; L73-Y77 HydrophobicContact CD2-CD2 3.76Å; L73-Y77 HydrophobicContact CD2-CG 4.17Å; T74-Y77 WeakPolarHBondContact O-CD2 3.5Å; T74-Y77 PolarHBondContact O-N 3.46Å; P75-Y77 VanDerWaalsContact C-N 3.27Å; P75-Y77 PolarHBondContact O-N 3.39Å |
| 78 | Y | 85.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -34.2 | 176.3 | -70.5 | -83.9 | 0 | 0 | 0 | 112.9 | L12 I14 L73 P75 G80 A81 E105 L106 Y109 | L12-Y78 HydrophobicContact CD2-CD1 3.42Å; L12-Y78 VanDerWaalsContact CD2-CD1 3.42Å; L12-Y78 HydrophobicContact CD2-CE1 3.48Å; L12-Y78 VanDerWaalsContact CD2-CE1 3.48Å; L12-Y78 HydrophobicContact CD2-CG 4.12Å; I14-Y78 HydrophobicContact CG2-CE1 4.26Å; L73-Y78 HydrophobicContact CB-CE2 4.07Å; P75-Y78 PolarHBondContact O-N 3.41Å; Y78-G80 PolarHBondContact O-N 3.3Å; Y78-A81 PolarHBondContact O-N 3.3Å; Y78-E105 HydrophobicContact CE2-CG 4.47Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.36Å; Y78-E105 VanDerWaalsContact CZ-OE1 3.3Å; Y78-E105 VanDerWaalsContact OH-CD 3.25Å; Y78-E105 PolarHBondContact OH-OE1 3.27Å; Y78-L106 HydrophobicContact CD1-CD1 3.73Å; Y78-L106 HydrophobicContact CE1-CD1 4.03Å; Y78-Y109 HydrophobicContact CD2-CD2 4.01Å; Y78-Y109 HydrophobicContact CD2-CG 4.33Å; Y78-Y109 HydrophobicContact CE2-CD2 4.07Å |
| 79 | R | 84.9 | Confident | 80.7 | Confident | 165 Ų | 165 | 45.1 Ų | 45.1 | 62% | 0.623 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 127 | -177.1 | -172.1 | -179.7 | 177 | 103.9 | -1.2 | 111.7 | K10 P75 A81 | K10-R79 PolarHBondContact NZ-O 3.38Å; P75-R79 PolarHBondContact O-N 2.98Å; R79-A81 VanDerWaalsContact C-N 3.27Å; R79-A81 PolarHBondContact O-N 3.19Å |
| 80 | G | 86.5 | Confident | 82.7 | Confident | 33 Ų | 33 | 36 Ų | 36 | 34% | 0.34 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 11.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y78 Q82 | Y78-G80 PolarHBondContact O-N 3.3Å; G80-Q82 PolarHBondContact O-OE1 2.87Å |
| 81 | A | 91.9 | Very high | 84.7 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | trans | -61.3 | 136.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y78 R79 L115 | Y78-A81 PolarHBondContact O-N 3.3Å; R79-A81 VanDerWaalsContact C-N 3.27Å; R79-A81 PolarHBondContact O-N 3.19Å; A81-L115 HydrophobicContact CB-CD1 3.97Å; A81-L115 WeakPolarHBondContact O-CD1 3.26Å | ||
| 82 | Q | 94.9 | Very high | 86.8 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -93.7 | -26.8 | 171.4 | -68.8 | 107.3 | -46.5 | 0 | 0 | 111.8 | T8 K10 G80 V116 I170 L176 | T8-Q82 PolarHBondContact O-NE2 3.11Å; K10-Q82 VanDerWaalsContact CB-OE1 3.27Å; K10-Q82 PolarHBondContact O-N 3.2Å; G80-Q82 PolarHBondContact O-OE1 2.87Å; Q82-V116 PolarHBondContact O-N 2.91Å; Q82-V116 VanDerWaalsContact O-N 3.14Å; Q82-I170 HydrophobicContact CB-CD1 4.27Å; Q82-I170 HydrophobicContact CB-CG2 4.05Å; Q82-L176 HydrophobicContact CB-CD1 4.17Å; Q82-L176 HydrophobicContact CB-CG 4.11Å; Q82-L176 HydrophobicContact CG-CD1 4.12Å; Q82-L176 HydrophobicContact CG-CG 4.17Å; Q82-L176 WeakPolarHBondContact CG-O 3.4Å |
| 83 | G | 95.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K10 I11 L12 V116 | K10-G83 PolarHBondContact O-N 3.43Å; I11-G83 WeakPolarHBondContact CA-O 3.21Å; L12-G83 PolarHBondContact N-O 3.11Å; G83-V116 CarbonylContact C-O 3.52Å; G83-V116 VanDerWaalsContact CA-O 3.3Å; G83-V116 WeakPolarHBondContact CA-O 3.39Å |
| 84 | V | 96.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.7 | 171.9 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | L12 I14 L86 L106 L115 V116 K117 M118 | L12-V84 HydrophobicContact CB-CG2 4.27Å; L12-V84 CarbonylContact O-C 3.6Å; L12-V84 VanDerWaalsContact O-CA 3.28Å; L12-V84 WeakPolarHBondContact O-CA 3.39Å; I14-V84 HydrophobicContact CD1-CG2 3.79Å; I14-V84 HydrophobicContact CG1-CG2 3.87Å; V84-L86 HydrophobicContact CB-CD1 4.38Å; V84-L86 HydrophobicContact CG1-CD1 3.68Å; V84-L86 HydrophobicContact CG2-CD1 3.89Å; V84-L106 HydrophobicContact CG1-CD2 3.75Å; V84-L106 HydrophobicContact CG2-CD1 4.3Å; V84-L106 HydrophobicContact CG2-CD2 4.49Å; V84-L115 HydrophobicContact CB-CD2 4.19Å; V84-L115 HydrophobicContact CG1-CD2 3.68Å; V84-L115 HydrophobicContact CG1-CG 4.23Å; V84-V116 PolarHBondContact N-O 3.41Å; V84-K117 HydrophobicContact CG1-CB 4.12Å; V84-K117 HydrophobicContact CG1-CG 3.63Å; V84-M118 PolarHBondContact O-N 3.15Å |
| 85 | I | 98.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 114 | 172.4 | -58 | 177.5 | 0 | 0 | 0 | 107.7 | I11 L12 I13 I14 V87 M118 V120 F163 L166 | I11-I85 HydrophobicContact CG2-CD1 4.23Å; I11-I85 HydrophobicContact CG2-CG1 4.28Å; L12-I85 PolarHBondContact O-N 3.03Å; I13-I85 WeakPolarHBondContact CA-O 3.2Å; I13-I85 HydrophobicContact CG1-CB 4.39Å; I13-I85 HydrophobicContact CG2-CB 4.29Å; I13-I85 HydrophobicContact CG2-CG2 4.42Å; I14-I85 PolarHBondContact N-O 2.81Å; I85-V87 HydrophobicContact CG2-CG2 3.84Å; I85-M118 CarbonylContact C-O 3.59Å; I85-M118 WeakPolarHBondContact CA-O 3.24Å; I85-M118 HydrophobicContact CG1-CB 4.32Å; I85-V120 HydrophobicContact CG2-CB 4.29Å; I85-V120 HydrophobicContact CG2-CG2 3.57Å; I85-F163 HydrophobicContact CD1-CD1 3.64Å; I85-F163 HydrophobicContact CD1-CE1 3.41Å; I85-F163 VanDerWaalsContact CD1-CE1 3.41Å; I85-F163 HydrophobicContact CD1-CE2 4.33Å; I85-F163 HydrophobicContact CD1-CG 4.21Å; I85-F163 HydrophobicContact CD1-CZ 3.79Å; I85-L166 HydrophobicContact CD1-CD2 3.93Å; I85-L166 HydrophobicContact CG1-CD2 3.5Å |
| 86 | L | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 122.2 | 173.3 | -74 | 82.7 | 0 | 0 | 0 | 108.6 | I14 V84 L99 W102 L103 M118 L119 V120 M146 | I14-L86 HydrophobicContact CD1-CD1 4.25Å; I14-L86 HydrophobicContact CD1-CD2 4.32Å; I14-L86 HydrophobicContact CD1-CG 3.88Å; I14-L86 HydrophobicContact CG1-CD1 4.36Å; I14-L86 HydrophobicContact CG1-CG 3.78Å; V84-L86 HydrophobicContact CB-CD1 4.38Å; V84-L86 HydrophobicContact CG1-CD1 3.68Å; V84-L86 HydrophobicContact CG2-CD1 3.89Å; L86-L99 HydrophobicContact CB-CD2 4.15Å; L86-L99 HydrophobicContact CD2-CD2 4.36Å; L86-W102 HydrophobicContact CD2-CB 4.45Å; L86-L103 HydrophobicContact CD2-CD2 3.89Å; L86-L103 HydrophobicContact CD2-CG 3.8Å; L86-M118 PolarHBondContact N-O 3.36Å; L86-L119 HydrophobicContact CB-CD1 4.17Å; L86-L119 CarbonylContact O-C 3.6Å; L86-V120 PolarHBondContact O-N 3.15Å; L86-M146 HydrophobicContact CD1-CE 3.89Å; L86-M146 HydrophobicContact CD2-CE 3.88Å; L86-M146 HydrophobicContact CG-CE 4.41Å |
| 87 | V | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.1 | -174.8 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | I13 I14 V19 K21 L24 I85 V120 N122 | I13-V87 HydrophobicContact CG2-CG2 3.75Å; I14-V87 PolarHBondContact O-N 3Å; V19-V87 HydrophobicContact CB-CG1 4.19Å; V19-V87 HydrophobicContact CG2-CB 3.83Å; V19-V87 HydrophobicContact CG2-CG1 3.75Å; K21-V87 HydrophobicContact CG-CB 4.03Å; K21-V87 HydrophobicContact CG-CG2 4.04Å; L24-V87 HydrophobicContact CD1-CG1 3.76Å; L24-V87 HydrophobicContact CD1-CG2 3.98Å; I85-V87 HydrophobicContact CG2-CG2 3.84Å; V87-V120 WeakPolarHBondContact CA-O 3.48Å; V87-V120 HydrophobicContact CG2-CB 4.38Å; V87-N122 HydrophobicContact CG1-CB 3.82Å |
| 88 | Y | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 164.5 | 166 | 72.9 | -83 | 0 | 0 | 0 | 110.9 | V90 F96 L99 L119 V120 G121 N122 V132 F148 | Y88-V90 HydrophobicContact CE2-CG1 3.92Å; Y88-F96 HydrophobicContact CD1-CD2 4.03Å; Y88-F96 HydrophobicContact CD2-CB 3.99Å; Y88-F96 AromaticContact CD2-CD2 3.79Å; Y88-F96 HydrophobicContact CD2-CD2 3.79Å; Y88-F96 HydrophobicContact CD2-CG 4.37Å; Y88-F96 AromaticContact CE1-CD2 3.99Å; Y88-F96 HydrophobicContact CE1-CD2 3.99Å; Y88-F96 HydrophobicContact CE1-CE2 4.26Å; Y88-F96 AromaticContact CE2-CD2 3.76Å; Y88-F96 HydrophobicContact CE2-CD2 3.76Å; Y88-F96 HydrophobicContact CE2-CE2 4.47Å; Y88-F96 HydrophobicContact CG-CB 4.34Å; Y88-F96 AromaticContact CG-CD2 3.93Å; Y88-F96 HydrophobicContact CG-CD2 3.93Å; Y88-F96 AromaticContact CZ-CD2 3.85Å; Y88-L99 HydrophobicContact CD1-CD1 3.9Å; Y88-L99 HydrophobicContact CG-CD1 4.23Å; Y88-L119 HydrophobicContact CD1-CD1 3.83Å; Y88-L119 HydrophobicContact CD1-CG 4.29Å; Y88-L119 HydrophobicContact CE1-CD1 4.01Å; Y88-L119 HydrophobicContact CE1-CD2 4.11Å; Y88-L119 HydrophobicContact CE1-CG 3.97Å; Y88-V120 WeakPolarHBondContact CD1-O 3.47Å; Y88-V120 PolarHBondContact N-O 3.03Å; Y88-G121 VanDerWaalsContact CZ-CA 3.43Å; Y88-N122 WeakPolarHBondContact O-CB 3.5Å; Y88-N122 PolarHBondContact O-N 3Å; Y88-V132 HydrophobicContact CE2-CB 4.07Å; Y88-V132 HydrophobicContact CE2-CG1 3.78Å; Y88-V132 HydrophobicContact CE2-CG2 4.48Å; Y88-F148 HydrophobicContact CE1-CE2 4.29Å |
| 89 | D | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.9 | 176.9 | -178.9 | -11.4 | 0 | 0 | 0 | 109.1 | V19 T91 K92 T95 K123 | V19-D89 HydrophobicContact CB-CB 4.36Å; V19-D89 HydrophobicContact CG1-CB 4.23Å; D89-T91 PolarHBondContact O-N 2.9Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 PolarHBondContact OD1-N 3.33Å; D89-T91 PolarHBondContact OD1-OG1 2.84Å; D89-T91 VanDerWaalsContact OD1-OG1 3.08Å; D89-K92 HydrophobicContact CB-CB 4.14Å; D89-K92 HydrophobicContact CB-CD 4.48Å; D89-K92 HydrophobicContact CB-CG 4.37Å; D89-K92 PolarHBondContact O-N 3.11Å; D89-K92 WeakPolarHBondContact OD2-CD 3.47Å; D89-T95 HydrophobicContact CB-CG2 4.38Å; D89-T95 PolarHBondContact N-OG1 2.79Å; D89-T95 PolarHBondContact O-OG1 3.35Å; D89-K123 WeakPolarHBondContact OD2-CD 3.19Å; D89-K123 VanDerWaalsContact OD2-CE 3.29Å; D89-K123 WeakPolarHBondContact OD2-CE 3.39Å; D89-K123 IonicContact OD2-NZ 2.91Å; D89-K123 PolarHBondContact OD2-NZ 3.28Å |
| 90 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.4 | -178.2 | -58 | 0 | 0 | 0 | 0 | 113 | Y88 N122 I124 V131 V132 | Y88-V90 HydrophobicContact CE2-CG1 3.92Å; V90-N122 WeakPolarHBondContact CG2-O 3.24Å; V90-N122 PolarHBondContact N-O 3.35Å; V90-I124 HydrophobicContact CG1-CG2 4.24Å; V90-I124 HydrophobicContact CG2-CG2 4.39Å; V90-V131 PolarHBondContact O-N 3.27Å; V90-V132 PolarHBondContact O-N 3.22Å |
| 91 | T | 98.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 3 | 177 | 85.6 | 0 | 0 | 0 | 0 | 113.1 | D89 K126 N129 V131 | D89-T91 PolarHBondContact O-N 2.9Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 PolarHBondContact OD1-N 3.33Å; D89-T91 PolarHBondContact OD1-OG1 2.84Å; D89-T91 VanDerWaalsContact OD1-OG1 3.08Å; T91-K126 HydrophobicContact CG2-CB 3.59Å; T91-K126 HydrophobicContact CG2-CD 4.21Å; T91-N129 VanDerWaalsContact CA-O 3.3Å; T91-N129 WeakPolarHBondContact CA-O 3.25Å; T91-N129 VanDerWaalsContact CB-O 3.26Å; T91-N129 WeakPolarHBondContact CB-O 3.19Å; T91-N129 HydrophobicContact CG2-CB 3.94Å; T91-V131 VanDerWaalsContact C-CG2 3.47Å |
| 92 | K | 98.3 | Very high | 96.9 | Very high | 106 Ų | 106 | 35.3 Ų | 35.3 | 46% | 0.461 | 17% | 0.17 | S | C | . | . | trans | -137.4 | 96.6 | -178.3 | -62.2 | -175.7 | -179.3 | -175.7 | 0 | 111.8 | D89 D94 T95 | D89-K92 HydrophobicContact CB-CB 4.14Å; D89-K92 HydrophobicContact CB-CD 4.48Å; D89-K92 HydrophobicContact CB-CG 4.37Å; D89-K92 PolarHBondContact O-N 3.11Å; D89-K92 WeakPolarHBondContact OD2-CD 3.47Å; K92-D94 VanDerWaalsContact C-N 3.26Å; K92-D94 PolarHBondContact O-N 2.73Å; K92-T95 HydrophobicContact CB-CG2 3.76Å; K92-T95 HydrophobicContact CD-CG2 4.3Å; K92-T95 WeakPolarHBondContact O-CB 3.35Å; K92-T95 PolarHBondContact O-N 2.85Å; K92-T95 PolarHBondContact O-OG1 2.79Å | ||
| 93 | R | 98.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 34.3 Ų | 34.3 | 35% | 0.347 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -50.9 | -41.6 | -179.5 | 177.4 | 63.5 | 75.6 | 173.8 | 5 | 113.3 | T95 F96 T97 V131 E136 | R93-T95 PolarHBondContact O-N 3.01Å; R93-F96 WeakPolarHBondContact O-CB 3.47Å; R93-F96 PolarHBondContact O-N 2.98Å; R93-T97 PolarHBondContact O-N 3.04Å; R93-T97 VanDerWaalsContact O-N 3.07Å; R93-T97 PolarHBondContact O-OG1 2.72Å; R93-V131 HydrophobicContact CB-CG2 4Å; R93-V131 VanDerWaalsContact CZ-O 3.31Å; R93-V131 VanDerWaalsContact N-CG2 3.33Å; R93-V131 PolarHBondContact NE-O 3.37Å; R93-V131 PolarHBondContact NH2-O 3.05Å; R93-E136 IonicContact CZ-OE1 3.5Å; R93-E136 IonicContact CZ-OE2 2.69Å; R93-E136 VanDerWaalsContact NH1-CD 3.25Å; R93-E136 IonicContact NH1-OE1 3.59Å; R93-E136 PolarHBondContact NH1-OE1 2.96Å; R93-E136 IonicContact NH1-OE2 3.31Å; R93-E136 PolarHBondContact NH1-OE2 2.88Å; R93-E136 IonicContact NH2-OE1 2.69Å; R93-E136 PolarHBondContact NH2-OE1 2.8Å; R93-E136 IonicContact NH2-OE2 3.53Å; R93-E136 PolarHBondContact NH2-OE2 3.14Å |
| 94 | D | 97.7 | Very high | 96.5 | Very high | 126 Ų | 126 | 38.4 Ų | 38.4 | 67% | 0.674 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -59 | -34.5 | -179 | -65.3 | -21.9 | 0 | 0 | 0 | 112.7 | K92 F96 T97 R98 | K92-D94 VanDerWaalsContact C-N 3.26Å; K92-D94 PolarHBondContact O-N 2.73Å; D94-F96 VanDerWaalsContact C-N 3.27Å; D94-F96 PolarHBondContact O-N 2.89Å; D94-T97 PolarHBondContact O-N 2.7Å; D94-R98 WeakPolarHBondContact O-CG 3.4Å; D94-R98 PolarHBondContact O-N 3.41Å; D94-R98 VanDerWaalsContact O-N 3.08Å |
| 95 | T | 97.8 | Very high | 96 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.4 | -31.2 | 179 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | E16 V19 D89 K92 R93 | E16-T95 HydrophobicContact CB-CG2 4.04Å; E16-T95 HydrophobicContact CG-CG2 4.34Å; V19-T95 HydrophobicContact CG1-CG2 3.74Å; D89-T95 HydrophobicContact CB-CG2 4.38Å; D89-T95 PolarHBondContact N-OG1 2.79Å; D89-T95 PolarHBondContact O-OG1 3.35Å; K92-T95 HydrophobicContact CB-CG2 3.76Å; K92-T95 HydrophobicContact CD-CG2 4.3Å; K92-T95 WeakPolarHBondContact O-CB 3.35Å; K92-T95 PolarHBondContact O-N 2.85Å; K92-T95 PolarHBondContact O-OG1 2.79Å; R93-T95 PolarHBondContact O-N 3.01Å |
| 96 | F | 98.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 9% | 0.092 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.3 | -45.5 | 174.3 | -178 | -99 | 0 | 0 | 0 | 111.5 | Y88 R93 D94 R98 L99 V132 E136 F140 | Y88-F96 HydrophobicContact CD1-CD2 4.03Å; Y88-F96 HydrophobicContact CD2-CB 3.99Å; Y88-F96 AromaticContact CD2-CD2 3.79Å; Y88-F96 HydrophobicContact CD2-CD2 3.79Å; Y88-F96 HydrophobicContact CD2-CG 4.37Å; Y88-F96 AromaticContact CE1-CD2 3.99Å; Y88-F96 HydrophobicContact CE1-CD2 3.99Å; Y88-F96 HydrophobicContact CE1-CE2 4.26Å; Y88-F96 AromaticContact CE2-CD2 3.76Å; Y88-F96 HydrophobicContact CE2-CD2 3.76Å; Y88-F96 HydrophobicContact CE2-CE2 4.47Å; Y88-F96 HydrophobicContact CG-CB 4.34Å; Y88-F96 AromaticContact CG-CD2 3.93Å; Y88-F96 HydrophobicContact CG-CD2 3.93Å; Y88-F96 AromaticContact CZ-CD2 3.85Å; R93-F96 WeakPolarHBondContact O-CB 3.47Å; R93-F96 PolarHBondContact O-N 2.98Å; D94-F96 VanDerWaalsContact C-N 3.27Å; D94-F96 PolarHBondContact O-N 2.89Å; F96-R98 PolarHBondContact O-N 3.4Å; F96-L99 HydrophobicContact CD2-CD1 3.54Å; F96-L99 HydrophobicContact CE2-CD1 3.93Å; F96-L99 HydrophobicContact CG-CD1 4.19Å; F96-L99 VanDerWaalsContact O-CB 3.25Å; F96-L99 WeakPolarHBondContact O-CB 3.46Å; F96-L99 WeakPolarHBondContact O-CD1 3.36Å; F96-L99 VanDerWaalsContact O-CG 3.25Å; F96-L99 WeakPolarHBondContact O-CG 3.44Å; F96-L99 PolarHBondContact O-N 3.01Å; F96-V132 HydrophobicContact CB-CG1 4.44Å; F96-V132 HydrophobicContact CB-CG2 3.96Å; F96-V132 HydrophobicContact CD1-CG1 4.33Å; F96-V132 HydrophobicContact CD2-CG1 3.91Å; F96-V132 HydrophobicContact CE2-CG1 4.19Å; F96-V132 HydrophobicContact CG-CG1 3.97Å; F96-V132 HydrophobicContact CG-CG2 4.33Å; F96-V132 HydrophobicContact CZ-CG1 4.49Å; F96-E136 HydrophobicContact CZ-CB 4.31Å; F96-F140 HydrophobicContact CE2-CB 4.12Å; F96-F140 HydrophobicContact CE2-CG 4.3Å; F96-F140 HydrophobicContact CZ-CB 3.76Å; F96-F140 HydrophobicContact CZ-CD2 4.07Å; F96-F140 HydrophobicContact CZ-CG 4.07Å |
| 97 | T | 97.2 | Very high | 95.1 | Very high | 87 Ų | 87 | 45.8 Ų | 45.8 | 53% | 0.534 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.8 | -32.6 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | R93 D94 L99 | R93-T97 PolarHBondContact O-N 3.04Å; R93-T97 VanDerWaalsContact O-N 3.07Å; R93-T97 PolarHBondContact O-OG1 2.72Å; D94-T97 PolarHBondContact O-N 2.7Å; T97-L99 VanDerWaalsContact C-N 3.27Å; T97-L99 PolarHBondContact O-N 3.22Å |
| 98 | R | 95.8 | Very high | 94.6 | Very high | 113 Ų | 113 | 50.7 Ų | 50.7 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.1 | 178.2 | -68.5 | -72.6 | -174.6 | 178.2 | 4 | 114.3 | E16 D94 F96 E100 N101 W102 | E16-R98 HydrophobicContact CG-CB 3.82Å; E16-R98 HydrophobicContact CG-CG 4.14Å; E16-R98 WeakPolarHBondContact OE1-CB 3.29Å; D94-R98 WeakPolarHBondContact O-CG 3.4Å; D94-R98 PolarHBondContact O-N 3.41Å; D94-R98 VanDerWaalsContact O-N 3.08Å; F96-R98 PolarHBondContact O-N 3.4Å; R98-E100 PolarHBondContact O-N 3.17Å; R98-N101 WeakPolarHBondContact O-CB 3.47Å; R98-N101 PolarHBondContact O-N 3.27Å; R98-W102 VanDerWaalsContact O-CD1 3.26Å; R98-W102 PolarHBondContact O-N 3.4Å |
| 99 | L | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.7 | -34.7 | 179.5 | -70.6 | 169.2 | 0 | 0 | 0 | 112.8 | L86 Y88 F96 T97 N101 W102 L103 L119 F140 | L86-L99 HydrophobicContact CB-CD2 4.15Å; L86-L99 HydrophobicContact CD2-CD2 4.36Å; Y88-L99 HydrophobicContact CD1-CD1 3.9Å; Y88-L99 HydrophobicContact CG-CD1 4.23Å; F96-L99 HydrophobicContact CD2-CD1 3.54Å; F96-L99 HydrophobicContact CE2-CD1 3.93Å; F96-L99 HydrophobicContact CG-CD1 4.19Å; F96-L99 VanDerWaalsContact O-CB 3.25Å; F96-L99 WeakPolarHBondContact O-CB 3.46Å; F96-L99 WeakPolarHBondContact O-CD1 3.36Å; F96-L99 VanDerWaalsContact O-CG 3.25Å; F96-L99 WeakPolarHBondContact O-CG 3.44Å; F96-L99 PolarHBondContact O-N 3.01Å; T97-L99 VanDerWaalsContact C-N 3.27Å; T97-L99 PolarHBondContact O-N 3.22Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.23Å; L99-W102 PolarHBondContact O-N 3.45Å; L99-L103 PolarHBondContact O-N 2.89Å; L99-L119 HydrophobicContact CD1-CD1 3.68Å; L99-L119 HydrophobicContact CD2-CD1 4.07Å; L99-F140 HydrophobicContact CB-CE1 3.97Å; L99-F140 HydrophobicContact CB-CE2 4.19Å; L99-F140 HydrophobicContact CB-CZ 3.53Å; L99-F140 HydrophobicContact CD1-CD1 4.38Å; L99-F140 HydrophobicContact CD1-CE1 4.1Å; L99-F140 HydrophobicContact CD1-CZ 4.28Å |
| 100 | E | 95.1 | Very high | 93.2 | Very high | 55 Ų | 55 | 55.9 Ų | 55.9 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 175.7 | -66.6 | -73.9 | -173.6 | 0 | 0 | 111.3 | R98 L103 N104 F140 K143 H144 | R98-E100 PolarHBondContact O-N 3.17Å; E100-L103 PolarHBondContact O-N 3.11Å; E100-N104 VanDerWaalsContact O-CG 3.22Å; E100-N104 PolarHBondContact O-N 3.25Å; E100-N104 PolarHBondContact O-ND2 3.31Å; E100-F140 HydrophobicContact CG-CE2 4.03Å; E100-F140 HydrophobicContact CG-CZ 4.44Å; E100-K143 IonicContact OE1-NZ 2.72Å; E100-K143 PolarHBondContact OE1-NZ 3.43Å; E100-H144 IonicContact OE1-CE1 3.51Å; E100-H144 IonicContact OE1-NE2 3.19Å; E100-H144 PolarHBondContact OE1-NE2 2.98Å; E100-H144 IonicContact OE2-CE1 3.1Å; E100-H144 PolarHBondContact OE2-CE1 2.93Å; E100-H144 VanDerWaalsContact OE2-CE1 3.23Å; E100-H144 IonicContact OE2-NE2 3.12Å; E100-H144 PolarHBondContact OE2-NE2 2.9Å; E100-H144 VanDerWaalsContact OE2-NE2 3.16Å |
| 101 | N | 92.4 | Very high | 91.9 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 177.1 | -65.7 | 21.4 | 0 | 0 | 0 | 111.3 | R98 L99 L103 N104 E105 | R98-N101 WeakPolarHBondContact O-CB 3.47Å; R98-N101 PolarHBondContact O-N 3.27Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.23Å; N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 PolarHBondContact O-N 3.44Å; N101-N104 PolarHBondContact O-N 3.07Å; N101-E105 WeakPolarHBondContact O-CB 3.38Å; N101-E105 PolarHBondContact O-N 2.98Å |
| 102 | W | 91.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -34 | 176 | -73.3 | 104.4 | 0 | 0 | 0 | 112 | I14 G15 E16 R71 L86 R98 L99 L106 | I14-W102 HydrophobicContact CB-CD2 4.49Å; I14-W102 HydrophobicContact CB-CE3 3.85Å; I14-W102 HydrophobicContact CB-CZ3 4.13Å; I14-W102 HydrophobicContact CD1-CB 4.22Å; I14-W102 HydrophobicContact CD1-CE3 4.31Å; I14-W102 HydrophobicContact CG1-CE3 4.42Å; I14-W102 HydrophobicContact CG2-CE3 4.47Å; I14-W102 HydrophobicContact CG2-CZ3 4.49Å; G15-W102 VanDerWaalsContact C-CE2 3.47Å; G15-W102 VanDerWaalsContact C-CZ2 3.43Å; G15-W102 VanDerWaalsContact O-CZ2 3.23Å; G15-W102 WeakPolarHBondContact O-CZ2 3.45Å; E16-W102 PolarHBondContact OE1-NE1 2.99Å; R71-W102 HydrophobicContact CG-CH2 3.85Å; R71-W102 HydrophobicContact CG-CZ2 4.31Å; L86-W102 HydrophobicContact CD2-CB 4.45Å; R98-W102 VanDerWaalsContact O-CD1 3.26Å; R98-W102 PolarHBondContact O-N 3.4Å; L99-W102 PolarHBondContact O-N 3.45Å; W102-L106 VanDerWaalsContact O-CB 3.32Å; W102-L106 WeakPolarHBondContact O-CB 3.45Å; W102-L106 PolarHBondContact O-N 3.29Å |
| 103 | L | 91.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.6 | -46.7 | 173.9 | -82.9 | 174.3 | 0 | 0 | 0 | 113.1 | L86 L99 E100 N101 E105 L106 E107 K117 F140 H144 M146 | L86-L103 HydrophobicContact CD2-CD2 3.89Å; L86-L103 HydrophobicContact CD2-CG 3.8Å; L99-L103 PolarHBondContact O-N 2.89Å; E100-L103 PolarHBondContact O-N 3.11Å; N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 PolarHBondContact O-N 3.44Å; L103-E105 PolarHBondContact O-N 2.9Å; L103-L106 HydrophobicContact CD2-CD2 4.19Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.24Å; L103-L106 VanDerWaalsContact O-N 3.17Å; L103-E107 WeakPolarHBondContact O-CG 3.48Å; L103-E107 PolarHBondContact O-N 2.89Å; L103-K117 HydrophobicContact CD2-CD 4.32Å; L103-F140 HydrophobicContact CD1-CE1 3.89Å; L103-F140 HydrophobicContact CD1-CZ 3.75Å; L103-H144 HydrophobicContact CD1-CB 4.14Å; L103-M146 HydrophobicContact CD1-CE 3.93Å; L103-M146 HydrophobicContact CD2-CE 3.47Å; L103-M146 VanDerWaalsContact CD2-CE 3.47Å; L103-M146 HydrophobicContact CG-CE 4.08Å |
| 104 | N | 90.3 | Very high | 89.1 | Confident | 87 Ų | 87 | 64.2 Ų | 64.2 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 176.1 | -66.8 | -28.9 | 0 | 0 | 0 | 111.4 | E100 N101 E107 T108 | E100-N104 VanDerWaalsContact O-CG 3.22Å; E100-N104 PolarHBondContact O-N 3.25Å; E100-N104 PolarHBondContact O-ND2 3.31Å; N101-N104 PolarHBondContact O-N 3.07Å; N104-E107 PolarHBondContact O-N 3.36Å; N104-T108 WeakPolarHBondContact O-CB 3.44Å; N104-T108 PolarHBondContact O-N 3.41Å; N104-T108 PolarHBondContact O-OG1 3.3Å |
| 105 | E | 87.2 | Confident | 88.8 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.4 | -169.7 | -179.6 | 145.3 | 0 | 0 | 111.6 | Y78 N101 L103 E107 T108 Y109 | Y78-E105 HydrophobicContact CE2-CG 4.47Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.36Å; Y78-E105 VanDerWaalsContact CZ-OE1 3.3Å; Y78-E105 VanDerWaalsContact OH-CD 3.25Å; Y78-E105 PolarHBondContact OH-OE1 3.27Å; N101-E105 WeakPolarHBondContact O-CB 3.38Å; N101-E105 PolarHBondContact O-N 2.98Å; L103-E105 PolarHBondContact O-N 2.9Å; E105-E107 VanDerWaalsContact C-N 3.35Å; E105-E107 PolarHBondContact O-N 2.93Å; E105-T108 WeakPolarHBondContact O-CB 3.49Å; E105-T108 PolarHBondContact O-N 2.82Å; E105-Y109 HydrophobicContact CG-CD2 3.67Å; E105-Y109 HydrophobicContact CG-CE2 3.57Å; E105-Y109 VanDerWaalsContact O-CD2 3.31Å; E105-Y109 WeakPolarHBondContact O-CD2 3.45Å; E105-Y109 PolarHBondContact O-N 2.93Å; E105-Y109 VanDerWaalsContact O-N 3.1Å |
| 106 | L | 88.8 | Confident | 88.7 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 176.3 | 179.1 | 68.3 | 0 | 0 | 0 | 111.7 | Y78 V84 W102 L103 T108 Y109 C110 L115 K117 | Y78-L106 HydrophobicContact CD1-CD1 3.73Å; Y78-L106 HydrophobicContact CE1-CD1 4.03Å; V84-L106 HydrophobicContact CG1-CD2 3.75Å; V84-L106 HydrophobicContact CG2-CD1 4.3Å; V84-L106 HydrophobicContact CG2-CD2 4.49Å; W102-L106 VanDerWaalsContact O-CB 3.32Å; W102-L106 WeakPolarHBondContact O-CB 3.45Å; W102-L106 PolarHBondContact O-N 3.29Å; L103-L106 HydrophobicContact CD2-CD2 4.19Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.24Å; L103-L106 VanDerWaalsContact O-N 3.17Å; L106-T108 VanDerWaalsContact C-N 3.29Å; L106-T108 PolarHBondContact O-N 2.83Å; L106-Y109 PolarHBondContact O-N 2.82Å; L106-C110 HydrophobicContact CD1-CB 4.25Å; L106-C110 WeakPolarHBondContact O-CA 3.36Å; L106-C110 WeakPolarHBondContact O-CB 3.34Å; L106-C110 PolarHBondContact O-N 3.08Å; L106-L115 HydrophobicContact CD1-CD2 3.7Å; L106-L115 HydrophobicContact CD2-CD2 3.75Å; L106-L115 HydrophobicContact CG-CD2 3.96Å; L106-K117 HydrophobicContact CD2-CD 4.29Å; L106-K117 HydrophobicContact CD2-CG 4.42Å |
| 107 | E | 87.8 | Confident | 88.7 | Confident | 119 Ų | 119 | 60.2 Ų | 60.2 | 56% | 0.556 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.8 | -30.7 | 178.4 | -71.3 | 177.4 | -178.1 | 0 | 0 | 112.4 | L103 N104 E105 | L103-E107 WeakPolarHBondContact O-CG 3.48Å; L103-E107 PolarHBondContact O-N 2.89Å; N104-E107 PolarHBondContact O-N 3.36Å; E105-E107 VanDerWaalsContact C-N 3.35Å; E105-E107 PolarHBondContact O-N 2.93Å |
| 108 | T | 87.2 | Confident | 88.7 | Confident | 103 Ų | 103 | 56.1 Ų | 56.1 | 63% | 0.632 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -71.3 | -38.5 | 178 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | N104 E105 L106 | N104-T108 WeakPolarHBondContact O-CB 3.44Å; N104-T108 PolarHBondContact O-N 3.41Å; N104-T108 PolarHBondContact O-OG1 3.3Å; E105-T108 WeakPolarHBondContact O-CB 3.49Å; E105-T108 PolarHBondContact O-N 2.82Å; L106-T108 VanDerWaalsContact C-N 3.29Å; L106-T108 PolarHBondContact O-N 2.83Å |
| 109 | Y | 84.8 | Confident | 88.9 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -106.6 | -18.6 | -171.7 | -59.7 | -50.3 | 0 | 0 | 0 | 114.7 | P75 Y78 E105 L106 T111 | P75-Y109 HydrophobicContact CB-CD1 3.72Å; P75-Y109 HydrophobicContact CB-CE1 4.24Å; P75-Y109 HydrophobicContact CB-CG 4.11Å; P75-Y109 HydrophobicContact CG-CD1 3.73Å; P75-Y109 HydrophobicContact CG-CE1 3.71Å; P75-Y109 HydrophobicContact CG-CG 4.32Å; Y78-Y109 HydrophobicContact CD2-CD2 4.01Å; Y78-Y109 HydrophobicContact CD2-CG 4.33Å; Y78-Y109 HydrophobicContact CE2-CD2 4.07Å; E105-Y109 HydrophobicContact CG-CD2 3.67Å; E105-Y109 HydrophobicContact CG-CE2 3.57Å; E105-Y109 VanDerWaalsContact O-CD2 3.31Å; E105-Y109 WeakPolarHBondContact O-CD2 3.45Å; E105-Y109 PolarHBondContact O-N 2.93Å; E105-Y109 VanDerWaalsContact O-N 3.1Å; L106-Y109 PolarHBondContact O-N 2.82Å; Y109-T111 PolarHBondContact O-N 3.3Å |
| 110 | C | 82.3 | Confident | 89 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.108 | 26% | 0.259 | C | S | . | . | trans | -81.9 | 119.4 | 176 | -161.1 | 0 | 0 | 0 | 0 | 110.2 | L106 R112 | L106-C110 HydrophobicContact CD1-CB 4.25Å; L106-C110 WeakPolarHBondContact O-CA 3.36Å; L106-C110 WeakPolarHBondContact O-CB 3.34Å; L106-C110 PolarHBondContact O-N 3.08Å; C110-R112 PolarHBondContact O-N 2.58Å | ||
| 111 | T | 72.9 | Confident | 89.2 | Confident | 92 Ų | 92 | 48.1 Ų | 48.1 | 56% | 0.564 | 25% | 0.247 | S | C | * | . | trans | -82.8 | 2.5 | 178.4 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | Y109 | Y109-T111 PolarHBondContact O-N 3.3Š| ||
| 112 | R | 75.3 | Confident | 89.5 | Confident | 78 Ų | 78 | 44.7 Ų | 44.7 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | trans | -110.9 | 127 | -176 | -71.1 | -161.7 | 76.8 | 117.9 | 2.5 | 110.3 | C110 D114 G175 | C110-R112 PolarHBondContact O-N 2.58Å; R112-D114 WeakPolarHBondContact CB-OD1 3.45Å; R112-D114 IonicContact CZ-OD1 2.68Å; R112-D114 IonicContact CZ-OD2 2.73Å; R112-D114 IonicContact NE-OD1 3.42Å; R112-D114 PolarHBondContact NE-OD1 2.82Å; R112-D114 IonicContact NE-OD2 3.19Å; R112-D114 IonicContact NH2-OD1 3.37Å; R112-D114 PolarHBondContact NH2-OD1 3.39Å; R112-D114 IonicContact NH2-OD2 3.47Å; R112-D114 PolarHBondContact NH2-OD2 3.37Å; R112-G175 PolarHBondContact NH2-O 2.8Å; R112-G175 VanDerWaalsContact NH2-O 3.15Å | ||
| 113 | N | 74.9 | Confident | 89.8 | Confident | 174 Ų | 174 | 46.3 Ų | 46.3 | 93% | 0.93 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -12.9 | 176.6 | -64.1 | -24.8 | 0 | 0 | 0 | 112.9 | ||
| 114 | D | 84.5 | Confident | 90.1 | Very high | 57 Ų | 57 | 48 Ų | 48 | 31% | 0.305 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 14.1 | -175.9 | 61.7 | -21.6 | 0 | 0 | 0 | 113.2 | R112 V116 L176 | R112-D114 WeakPolarHBondContact CB-OD1 3.45Å; R112-D114 IonicContact CZ-OD1 2.68Å; R112-D114 IonicContact CZ-OD2 2.73Å; R112-D114 IonicContact NE-OD1 3.42Å; R112-D114 PolarHBondContact NE-OD1 2.82Å; R112-D114 IonicContact NE-OD2 3.19Å; R112-D114 IonicContact NH2-OD1 3.37Å; R112-D114 PolarHBondContact NH2-OD1 3.39Å; R112-D114 IonicContact NH2-OD2 3.47Å; R112-D114 PolarHBondContact NH2-OD2 3.37Å; D114-V116 PolarHBondContact O-N 3.38Å; D114-L176 WeakPolarHBondContact O-CD2 3.24Å; D114-L176 WeakPolarHBondContact OD2-CD1 3.2Å |
| 115 | L | 91.9 | Very high | 90.5 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | trans | -58.9 | 126.2 | 176.5 | -179.7 | 79.6 | 0 | 0 | 0 | 111.2 | A81 V84 L106 K117 | A81-L115 HydrophobicContact CB-CD1 3.97Å; A81-L115 WeakPolarHBondContact O-CD1 3.26Å; V84-L115 HydrophobicContact CB-CD2 4.19Å; V84-L115 HydrophobicContact CG1-CD2 3.68Å; V84-L115 HydrophobicContact CG1-CG 4.23Å; L106-L115 HydrophobicContact CD1-CD2 3.7Å; L106-L115 HydrophobicContact CD2-CD2 3.75Å; L106-L115 HydrophobicContact CG-CD2 3.96Å; L115-K117 HydrophobicContact CD2-CG 4.4Å | ||
| 116 | V | 96.6 | Very high | 91 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 129.5 | 174.2 | -175.4 | 0 | 0 | 0 | 0 | 110 | Q82 G83 V84 D114 L147 L166 K169 I170 L176 | Q82-V116 PolarHBondContact O-N 2.91Å; Q82-V116 VanDerWaalsContact O-N 3.14Å; G83-V116 CarbonylContact C-O 3.52Å; G83-V116 VanDerWaalsContact CA-O 3.3Å; G83-V116 WeakPolarHBondContact CA-O 3.39Å; V84-V116 PolarHBondContact N-O 3.41Å; D114-V116 PolarHBondContact O-N 3.38Å; V116-L147 HydrophobicContact CG1-CD1 4.28Å; V116-L166 HydrophobicContact CB-CD1 3.92Å; V116-L166 HydrophobicContact CG1-CD1 3.55Å; V116-K169 HydrophobicContact CG1-CB 3.91Å; V116-K169 HydrophobicContact CG1-CG 3.55Å; V116-K169 HydrophobicContact CG2-CG 4.12Å; V116-I170 HydrophobicContact CB-CG1 3.8Å; V116-I170 HydrophobicContact CG2-CG1 3.72Å; V116-L176 HydrophobicContact CG2-CD2 3.65Å |
| 117 | K | 97.3 | Very high | 91.3 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 18% | 0.183 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.2 | -176 | -66 | 173.3 | -79 | 176.3 | 0 | 110.6 | V84 L103 L106 L115 H144 M146 L147 | V84-K117 HydrophobicContact CG1-CB 4.12Å; V84-K117 HydrophobicContact CG1-CG 3.63Å; L103-K117 HydrophobicContact CD2-CD 4.32Å; L106-K117 HydrophobicContact CD2-CD 4.29Å; L106-K117 HydrophobicContact CD2-CG 4.42Å; L115-K117 HydrophobicContact CD2-CG 4.4Å; K117-H144 PolarHBondContact NZ-O 3.33Å; K117-M146 HydrophobicContact CB-CB 4.19Å; K117-M146 HydrophobicContact CB-CE 4Å; K117-M146 HydrophobicContact CB-CG 3.77Å; K117-M146 HydrophobicContact CD-CE 3.98Å; K117-M146 HydrophobicContact CG-CE 4.41Å; K117-M146 CarbonylContact O-C 3.55Å; K117-M146 WeakPolarHBondContact O-CA 3.39Å; K117-L147 PolarHBondContact O-N 3.3Å |
| 118 | M | 98.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.3 | 172.4 | 172.7 | 63.3 | 79.5 | 0 | 0 | 109.5 | V84 I85 L86 V120 L147 I149 A162 E165 L166 | V84-M118 PolarHBondContact O-N 3.15Å; I85-M118 CarbonylContact C-O 3.59Å; I85-M118 WeakPolarHBondContact CA-O 3.24Å; I85-M118 HydrophobicContact CG1-CB 4.32Å; L86-M118 PolarHBondContact N-O 3.36Å; M118-V120 HydrophobicContact CG-CG2 3.89Å; M118-L147 HydrophobicContact CB-CB 4.46Å; M118-L147 HydrophobicContact CE-CB 3.39Å; M118-L147 HydrophobicContact CE-CD1 3.67Å; M118-L147 HydrophobicContact CE-CG 4.18Å; M118-L147 HydrophobicContact SD-CB 3.53Å; M118-L147 VanDerWaalsContact SD-CB 3.53Å; M118-I149 HydrophobicContact CE-CD1 4.12Å; M118-I149 HydrophobicContact CE-CG1 4.4Å; M118-I149 HydrophobicContact SD-CB 4.26Å; M118-I149 HydrophobicContact SD-CG1 4.37Å; M118-A162 WeakPolarHBondContact CE-O 3.29Å; M118-E165 HydrophobicContact CE-CB 3.95Å; M118-L166 HydrophobicContact CB-CB 4.43Å; M118-L166 HydrophobicContact CB-CD1 4.2Å |
| 119 | L | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.2 | 169.9 | -179.4 | 68.9 | 0 | 0 | 0 | 109.7 | L86 Y88 L99 G137 F140 A141 M146 L147 F148 I149 | L86-L119 HydrophobicContact CB-CD1 4.17Å; L86-L119 CarbonylContact O-C 3.6Å; Y88-L119 HydrophobicContact CD1-CD1 3.83Å; Y88-L119 HydrophobicContact CD1-CG 4.29Å; Y88-L119 HydrophobicContact CE1-CD1 4.01Å; Y88-L119 HydrophobicContact CE1-CD2 4.11Å; Y88-L119 HydrophobicContact CE1-CG 3.97Å; L99-L119 HydrophobicContact CD1-CD1 3.68Å; L99-L119 HydrophobicContact CD2-CD1 4.07Å; L119-G137 WeakPolarHBondContact CD2-O 3.35Å; L119-F140 HydrophobicContact CD2-CB 4.43Å; L119-F140 HydrophobicContact CD2-CD1 3.86Å; L119-A141 HydrophobicContact CB-CB 4.37Å; L119-A141 HydrophobicContact CD2-CB 4.07Å; L119-M146 HydrophobicContact CB-SD 4.03Å; L119-L147 PolarHBondContact N-O 2.9Å; L119-F148 HydrophobicContact CB-CD2 4.03Å; L119-F148 HydrophobicContact CD2-CD2 3.74Å; L119-F148 HydrophobicContact CD2-CE2 4.05Å; L119-F148 HydrophobicContact CG-CD2 3.89Å; L119-F148 HydrophobicContact CG-CE2 4.28Å; L119-F148 WeakPolarHBondContact O-CA 3.25Å; L119-F148 WeakPolarHBondContact O-CD2 3.32Å; L119-I149 PolarHBondContact O-N 2.69Å |
| 120 | V | 98.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.2 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 111 | L24 I85 L86 V87 Y88 M118 N122 I149 A151 A162 | L24-V120 HydrophobicContact CD1-CG1 3.98Å; I85-V120 HydrophobicContact CG2-CB 4.29Å; I85-V120 HydrophobicContact CG2-CG2 3.57Å; L86-V120 PolarHBondContact O-N 3.15Å; V87-V120 WeakPolarHBondContact CA-O 3.48Å; V87-V120 HydrophobicContact CG2-CB 4.38Å; Y88-V120 WeakPolarHBondContact CD1-O 3.47Å; Y88-V120 PolarHBondContact N-O 3.03Å; M118-V120 HydrophobicContact CG-CG2 3.89Å; V120-N122 HydrophobicContact CG1-CB 4.45Å; V120-N122 PolarHBondContact O-N 3.5Å; V120-I149 VanDerWaalsContact CA-O 3.25Å; V120-I149 WeakPolarHBondContact CA-O 3.35Å; V120-A151 HydrophobicContact CG1-CB 3.76Å; V120-A162 HydrophobicContact CG2-CB 4.01Å |
| 121 | G | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 98.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y88 I149 E150 A151 | Y88-G121 VanDerWaalsContact CZ-CA 3.43Å; G121-I149 PolarHBondContact N-O 3.36Å; G121-E150 CarbonylContact O-C 3.46Å; G121-E150 VanDerWaalsContact O-CA 3.28Å; G121-E150 WeakPolarHBondContact O-CA 3.42Å; G121-A151 PolarHBondContact O-N 3.36Å |
| 122 | N | 98.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 162.8 | -173.6 | -167 | 29.8 | 0 | 0 | 0 | 112.7 | V19 L24 V87 Y88 V90 V120 A151 A153 | V19-N122 PolarHBondContact O-ND2 3.46Å; L24-N122 HydrophobicContact CD1-CB 4.28Å; V87-N122 HydrophobicContact CG1-CB 3.82Å; Y88-N122 WeakPolarHBondContact O-CB 3.5Å; Y88-N122 PolarHBondContact O-N 3Å; V90-N122 WeakPolarHBondContact CG2-O 3.24Å; V90-N122 PolarHBondContact N-O 3.35Å; V120-N122 HydrophobicContact CG1-CB 4.45Å; V120-N122 PolarHBondContact O-N 3.5Å; N122-A151 CarbonylContact C-O 3.47Å; N122-A151 VanDerWaalsContact CA-O 3.24Å; N122-A151 WeakPolarHBondContact CA-O 3.41Å; N122-A151 PolarHBondContact OD1-O 3.02Å; N122-A153 PolarHBondContact OD1-N 2.94Å |
| 123 | K | 98.5 | Very high | 96 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | trans | 71.2 | 35.1 | 176.8 | -45.5 | -169.9 | -164.4 | 168.4 | 0 | 114.9 | G18 V19 D89 D125 K126 A151 | G18-K123 WeakPolarHBondContact O-CE 3.34Å; G18-K123 PolarHBondContact O-NZ 2.73Å; V19-K123 WeakPolarHBondContact O-CE 3.26Å; D89-K123 WeakPolarHBondContact OD2-CD 3.19Å; D89-K123 VanDerWaalsContact OD2-CE 3.29Å; D89-K123 WeakPolarHBondContact OD2-CE 3.39Å; D89-K123 IonicContact OD2-NZ 2.91Å; D89-K123 PolarHBondContact OD2-NZ 3.28Å; K123-D125 WeakPolarHBondContact CA-OD1 3.24Å; K123-D125 PolarHBondContact O-N 2.91Å; K123-D125 VanDerWaalsContact O-N 3.11Å; K123-K126 PolarHBondContact O-N 2.89Å; K123-A151 PolarHBondContact N-O 3.19Å | ||
| 124 | I | 98.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 19% | 0.185 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -62.6 | -14.2 | 174.5 | 64.4 | -179.8 | 0 | 0 | 0 | 114 | V90 K126 E127 E150 A151 D157 | V90-I124 HydrophobicContact CG1-CG2 4.24Å; V90-I124 HydrophobicContact CG2-CG2 4.39Å; I124-K126 PolarHBondContact O-N 2.81Å; I124-K126 VanDerWaalsContact O-N 3.11Å; I124-E127 PolarHBondContact O-N 2.87Å; I124-E150 HydrophobicContact CD1-CB 4.3Å; I124-E150 HydrophobicContact CG2-CB 3.74Å; I124-E150 HydrophobicContact CG2-CG 4.21Å; I124-A151 PolarHBondContact N-O 3.42Å; I124-D157 HydrophobicContact CD1-CB 4.22Å |
| 125 | D | 98.4 | Very high | 97.8 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -62.4 | -12.8 | 169.9 | 60.7 | -78.4 | 0 | 0 | 0 | 113.4 | K123 S152 K154 T155 | K123-D125 WeakPolarHBondContact CA-OD1 3.24Å; K123-D125 PolarHBondContact O-N 2.91Å; K123-D125 VanDerWaalsContact O-N 3.11Å; D125-S152 VanDerWaalsContact CG-OG 3.32Å; D125-S152 WeakPolarHBondContact OD1-CB 3.47Å; D125-S152 PolarHBondContact OD1-OG 2.8Å; D125-K154 VanDerWaalsContact OD2-CD 3.29Å; D125-K154 WeakPolarHBondContact OD2-CD 3.3Å; D125-T155 HydrophobicContact CB-CG2 3.82Å |
| 126 | K | 96.9 | Very high | 98.1 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 41% | 0.409 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -106.6 | 45.5 | 178.2 | -60.6 | -172.7 | 178.5 | -170.9 | 0 | 112.1 | T91 K123 I124 E128 N129 R130 | T91-K126 HydrophobicContact CG2-CB 3.59Å; T91-K126 HydrophobicContact CG2-CD 4.21Å; K123-K126 PolarHBondContact O-N 2.89Å; I124-K126 PolarHBondContact O-N 2.81Å; I124-K126 VanDerWaalsContact O-N 3.11Å; K126-E128 PolarHBondContact O-N 3.35Å; K126-N129 PolarHBondContact O-N 2.76Å; K126-R130 PolarHBondContact O-N 3.16Å |
| 127 | E | 96.1 | Very high | 98.2 | Very high | 110 Ų | 110 | 56 Ų | 56 | 51% | 0.514 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -53.7 | -37.8 | -174.8 | -167.9 | 59.3 | -150.6 | 0 | 0 | 113.3 | I124 N129 R130 | I124-E127 PolarHBondContact O-N 2.87Å; E127-N129 PolarHBondContact O-N 3.19Å; E127-N129 VanDerWaalsContact O-N 3.14Å; E127-R130 WeakPolarHBondContact O-CB 3.32Å; E127-R130 PolarHBondContact O-N 2.84Å; E127-R130 WeakPolarHBondContact OE1-CD 3.25Å; E127-R130 IonicContact OE1-CZ 2.78Å; E127-R130 IonicContact OE1-NE 3.77Å; E127-R130 PolarHBondContact OE1-NE 3.08Å; E127-R130 IonicContact OE1-NH2 2.7Å; E127-R130 IonicContact OE2-CZ 2.84Å; E127-R130 VanDerWaalsContact OE2-CZ 3.28Å; E127-R130 IonicContact OE2-NE 2.83Å; E127-R130 PolarHBondContact OE2-NE 3.04Å; E127-R130 IonicContact OE2-NH2 3.65Å; E127-R130 PolarHBondContact OE2-NH2 3.23Å |
| 128 | E | 97.4 | Very high | 98.2 | Very high | 192 Ų | 192 | 56.6 Ų | 56.6 | 90% | 0.897 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -60.9 | -24 | 176.9 | -60.5 | -179.2 | 178 | 0 | 0 | 113.8 | K126 | K126-E128 PolarHBondContact O-N 3.35Š|
| 129 | N | 97.9 | Very high | 98.2 | Very high | 98 Ų | 98 | 63.8 Ų | 63.8 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -103.5 | 9.9 | 178.9 | -61.2 | -59.4 | 0 | 0 | 0 | 112.4 | T91 K126 E127 V131 | T91-N129 VanDerWaalsContact CA-O 3.3Å; T91-N129 WeakPolarHBondContact CA-O 3.25Å; T91-N129 VanDerWaalsContact CB-O 3.26Å; T91-N129 WeakPolarHBondContact CB-O 3.19Å; T91-N129 HydrophobicContact CG2-CB 3.94Å; K126-N129 PolarHBondContact O-N 2.76Å; E127-N129 PolarHBondContact O-N 3.19Å; E127-N129 VanDerWaalsContact O-N 3.14Å; N129-V131 PolarHBondContact O-N 2.88Å |
| 130 | R | 98.5 | Very high | 98.2 | Very high | 44 Ų | 44 | 64.7 Ų | 64.7 | 17% | 0.166 | 31% | 0.308 | C | S | . | . | trans | -62.9 | 131.5 | -179.1 | 179.1 | -178.2 | -69.8 | -90.5 | 6.4 | 110.4 | K126 E127 V132 E150 | K126-R130 PolarHBondContact O-N 3.16Å; E127-R130 WeakPolarHBondContact O-CB 3.32Å; E127-R130 PolarHBondContact O-N 2.84Å; E127-R130 WeakPolarHBondContact OE1-CD 3.25Å; E127-R130 IonicContact OE1-CZ 2.78Å; E127-R130 IonicContact OE1-NE 3.77Å; E127-R130 PolarHBondContact OE1-NE 3.08Å; E127-R130 IonicContact OE1-NH2 2.7Å; E127-R130 IonicContact OE2-CZ 2.84Å; E127-R130 VanDerWaalsContact OE2-CZ 3.28Å; E127-R130 IonicContact OE2-NE 2.83Å; E127-R130 PolarHBondContact OE2-NE 3.04Å; E127-R130 IonicContact OE2-NH2 3.65Å; E127-R130 PolarHBondContact OE2-NH2 3.23Å; R130-V132 WeakPolarHBondContact CG-O 3.44Å; R130-V132 PolarHBondContact NH1-O 2.8Å; R130-V132 VanDerWaalsContact NH1-O 3.12Å; R130-E150 IonicContact CZ-OE1 3.04Å; R130-E150 IonicContact NH1-OE1 3.16Å; R130-E150 PolarHBondContact NH1-OE1 2.97Å; R130-E150 IonicContact NH2-OE1 3.23Å; R130-E150 PolarHBondContact NH2-OE1 3.01Å; R130-E150 IonicContact NH2-OE2 2.76Å | ||
| 131 | V | 98.5 | Very high | 98.2 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 39% | 0.394 | 31% | 0.308 | S | S | . | . | trans | -128 | -4.1 | 175.3 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | V90 T91 R93 N129 | V90-V131 PolarHBondContact O-N 3.27Å; T91-V131 VanDerWaalsContact C-CG2 3.47Å; R93-V131 HydrophobicContact CB-CG2 4Å; R93-V131 VanDerWaalsContact CZ-O 3.31Å; R93-V131 VanDerWaalsContact N-CG2 3.33Å; R93-V131 PolarHBondContact NE-O 3.37Å; R93-V131 PolarHBondContact NH2-O 3.05Å; N129-V131 PolarHBondContact O-N 2.88Å | ||
| 132 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -122.4 | 116 | 172.7 | -175 | 0 | 0 | 0 | 0 | 108.3 | Y88 V90 F96 R130 E136 | Y88-V132 HydrophobicContact CE2-CB 4.07Å; Y88-V132 HydrophobicContact CE2-CG1 3.78Å; Y88-V132 HydrophobicContact CE2-CG2 4.48Å; V90-V132 PolarHBondContact O-N 3.22Å; F96-V132 HydrophobicContact CB-CG1 4.44Å; F96-V132 HydrophobicContact CB-CG2 3.96Å; F96-V132 HydrophobicContact CD1-CG1 4.33Å; F96-V132 HydrophobicContact CD2-CG1 3.91Å; F96-V132 HydrophobicContact CE2-CG1 4.19Å; F96-V132 HydrophobicContact CG-CG1 3.97Å; F96-V132 HydrophobicContact CG-CG2 4.33Å; F96-V132 HydrophobicContact CZ-CG1 4.49Å; R130-V132 WeakPolarHBondContact CG-O 3.44Å; R130-V132 PolarHBondContact NH1-O 2.8Å; R130-V132 VanDerWaalsContact NH1-O 3.12Å; V132-E136 HydrophobicContact CG1-CB 4.22Å |
| 133 | D | 97.9 | Very high | 98.1 | Very high | 95 Ų | 95 | 79.8 Ų | 79.8 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | trans | -72.2 | 147.8 | 179.7 | -71.1 | -27 | 0 | 0 | 0 | 111 | N135 E136 G137 | D133-N135 PolarHBondContact O-N 2.95Å; D133-N135 VanDerWaalsContact O-N 3.13Å; D133-E136 HydrophobicContact CB-CG 4.22Å; D133-E136 PolarHBondContact N-OE1 3.16Å; D133-E136 WeakPolarHBondContact O-CB 3.46Å; D133-E136 PolarHBondContact O-N 2.83Å; D133-G137 PolarHBondContact O-N 3.09Å | ||
| 134 | R | 98.2 | Very high | 98 | Very high | 142 Ų | 142 | 79.5 Ų | 79.5 | 54% | 0.536 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -52.6 | -37.4 | 174.2 | -174.6 | -179 | -177.5 | 117 | -6.6 | 112.4 | E136 G137 L138 F148 E150 | R134-E136 VanDerWaalsContact C-N 3.28Å; R134-E136 PolarHBondContact O-N 2.76Å; R134-G137 PolarHBondContact O-N 2.94Å; R134-L138 WeakPolarHBondContact O-CB 3.38Å; R134-L138 PolarHBondContact O-N 2.76Å; R134-F148 HydrophobicContact CG-CE1 3.84Å; R134-F148 HydrophobicContact CG-CZ 4.31Å; R134-E150 VanDerWaalsContact CD-OE2 3.28Å; R134-E150 WeakPolarHBondContact CD-OE2 2.79Å; R134-E150 HydrophobicContact CG-CG 4.32Å; R134-E150 WeakPolarHBondContact CG-OE2 3.28Å; R134-E150 IonicContact CZ-OE2 3.78Å; R134-E150 IonicContact NE-OE2 3.96Å; R134-E150 IonicContact NH1-OE2 3.89Å; R134-E150 PolarHBondContact NH1-OE2 3.07Å |
| 135 | N | 98.4 | Very high | 97.8 | Very high | 108 Ų | 108 | 82.7 Ų | 82.7 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.3 | -31 | 178.5 | -78.5 | -36.5 | 0 | 0 | 0 | 112.9 | D133 K139 | D133-N135 PolarHBondContact O-N 2.95Å; D133-N135 VanDerWaalsContact O-N 3.13Å; N135-K139 WeakPolarHBondContact O-CB 3.36Å; N135-K139 VanDerWaalsContact O-CG 3.23Å; N135-K139 WeakPolarHBondContact O-CG 3.29Å; N135-K139 PolarHBondContact O-N 3.42Å |
| 136 | E | 98.2 | Very high | 97.8 | Very high | 59 Ų | 59 | 81.1 Ų | 81.1 | 28% | 0.276 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71 | -45.2 | 175.7 | -62.2 | -173.5 | -97.8 | 0 | 0 | 110.9 | R93 F96 V132 D133 R134 L138 K139 F140 | R93-E136 IonicContact CZ-OE1 3.5Å; R93-E136 IonicContact CZ-OE2 2.69Å; R93-E136 VanDerWaalsContact NH1-CD 3.25Å; R93-E136 IonicContact NH1-OE1 3.59Å; R93-E136 PolarHBondContact NH1-OE1 2.96Å; R93-E136 IonicContact NH1-OE2 3.31Å; R93-E136 PolarHBondContact NH1-OE2 2.88Å; R93-E136 IonicContact NH2-OE1 2.69Å; R93-E136 PolarHBondContact NH2-OE1 2.8Å; R93-E136 IonicContact NH2-OE2 3.53Å; R93-E136 PolarHBondContact NH2-OE2 3.14Å; F96-E136 HydrophobicContact CZ-CB 4.31Å; V132-E136 HydrophobicContact CG1-CB 4.22Å; D133-E136 HydrophobicContact CB-CG 4.22Å; D133-E136 PolarHBondContact N-OE1 3.16Å; D133-E136 WeakPolarHBondContact O-CB 3.46Å; D133-E136 PolarHBondContact O-N 2.83Å; R134-E136 VanDerWaalsContact C-N 3.28Å; R134-E136 PolarHBondContact O-N 2.76Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-L138 PolarHBondContact O-N 3.33Å; E136-K139 PolarHBondContact O-N 3.03Å; E136-F140 WeakPolarHBondContact O-CB 3.41Å; E136-F140 PolarHBondContact O-N 2.82Å |
| 137 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.3 | -46 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | L119 D133 R134 K139 F140 A141 | L119-G137 WeakPolarHBondContact CD2-O 3.35Å; D133-G137 PolarHBondContact O-N 3.09Å; R134-G137 PolarHBondContact O-N 2.94Å; G137-K139 PolarHBondContact O-N 2.91Å; G137-F140 PolarHBondContact O-N 2.67Å; G137-A141 WeakPolarHBondContact O-CB 3.2Å; G137-A141 PolarHBondContact O-N 3.4Å |
| 138 | L | 98.3 | Very high | 98 | Very high | 55 Ų | 55 | 75 Ų | 75 | 29% | 0.288 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.1 | -176 | 65.6 | 0 | 0 | 0 | 112.5 | R134 E136 R142 F148 | R134-L138 WeakPolarHBondContact O-CB 3.38Å; R134-L138 PolarHBondContact O-N 2.76Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-L138 PolarHBondContact O-N 3.33Å; L138-R142 WeakPolarHBondContact O-CB 3.38Å; L138-R142 VanDerWaalsContact O-CG 3.3Å; L138-R142 WeakPolarHBondContact O-CG 3.39Å; L138-R142 PolarHBondContact O-N 2.8Å; L138-F148 HydrophobicContact CB-CD1 3.98Å; L138-F148 HydrophobicContact CB-CE1 4.1Å; L138-F148 HydrophobicContact CD1-CD1 4Å |
| 139 | K | 98.6 | Very high | 98 | Very high | 151 Ų | 151 | 66.6 Ų | 66.6 | 66% | 0.657 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 175.9 | -77.4 | 171.7 | -177.8 | 177.5 | 0 | 111.4 | N135 E136 G137 R142 K143 | N135-K139 WeakPolarHBondContact O-CB 3.36Å; N135-K139 VanDerWaalsContact O-CG 3.23Å; N135-K139 WeakPolarHBondContact O-CG 3.29Å; N135-K139 PolarHBondContact O-N 3.42Å; E136-K139 PolarHBondContact O-N 3.03Å; G137-K139 PolarHBondContact O-N 2.91Å; K139-R142 PolarHBondContact O-N 3.02Å; K139-K143 WeakPolarHBondContact O-CB 3.22Å; K139-K143 PolarHBondContact O-N 3.14Å |
| 140 | F | 98.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 62.7 Ų | 62.7 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 177.2 | -173.8 | -82.9 | 0 | 0 | 0 | 111.7 | F96 L99 E100 L103 L119 E136 G137 R142 K143 H144 M146 | F96-F140 HydrophobicContact CE2-CB 4.12Å; F96-F140 HydrophobicContact CE2-CG 4.3Å; F96-F140 HydrophobicContact CZ-CB 3.76Å; F96-F140 HydrophobicContact CZ-CD2 4.07Å; F96-F140 HydrophobicContact CZ-CG 4.07Å; L99-F140 HydrophobicContact CB-CE1 3.97Å; L99-F140 HydrophobicContact CB-CE2 4.19Å; L99-F140 HydrophobicContact CB-CZ 3.53Å; L99-F140 HydrophobicContact CD1-CD1 4.38Å; L99-F140 HydrophobicContact CD1-CE1 4.1Å; L99-F140 HydrophobicContact CD1-CZ 4.28Å; E100-F140 HydrophobicContact CG-CE2 4.03Å; E100-F140 HydrophobicContact CG-CZ 4.44Å; L103-F140 HydrophobicContact CD1-CE1 3.89Å; L103-F140 HydrophobicContact CD1-CZ 3.75Å; L119-F140 HydrophobicContact CD2-CB 4.43Å; L119-F140 HydrophobicContact CD2-CD1 3.86Å; E136-F140 WeakPolarHBondContact O-CB 3.41Å; E136-F140 PolarHBondContact O-N 2.82Å; G137-F140 PolarHBondContact O-N 2.67Å; F140-R142 VanDerWaalsContact C-N 3.33Å; F140-R142 PolarHBondContact O-N 3.31Å; F140-K143 WeakPolarHBondContact O-CB 3.49Å; F140-K143 PolarHBondContact O-N 3.36Å; F140-H144 AromaticContact CD1-CD2 3.83Å; F140-H144 AromaticContact CE1-CD2 3.51Å; F140-H144 AromaticContact CE2-CD2 3.75Å; F140-H144 AromaticContact CE2-NE2 3.7Å; F140-H144 AromaticContact CZ-CD2 3.46Å; F140-H144 VanDerWaalsContact CZ-CD2 3.46Å; F140-H144 WeakPolarHBondContact CZ-CD2 3.24Å; F140-H144 AromaticContact CZ-NE2 3.62Å; F140-H144 PolarHBondContact O-CD2 2.82Å; F140-H144 PolarHBondContact O-N 3.38Å; F140-H144 VanDerWaalsContact O-N 3.11Å; F140-M146 HydrophobicContact CD1-SD 4.39Å; F140-M146 HydrophobicContact CE1-SD 4.25Å |
| 141 | A | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L119 G137 H144 S145 M146 F148 | L119-A141 HydrophobicContact CB-CB 4.37Å; L119-A141 HydrophobicContact CD2-CB 4.07Å; G137-A141 WeakPolarHBondContact O-CB 3.2Å; G137-A141 PolarHBondContact O-N 3.4Å; A141-H144 CarbonylContact O-C 3.34Å; A141-H144 PolarHBondContact O-N 3.35Å; A141-S145 PolarHBondContact O-N 2.8Å; A141-M146 HydrophobicContact CB-CB 4.03Å; A141-M146 PolarHBondContact O-N 3.22Å; A141-F148 HydrophobicContact CB-CB 3.64Å; A141-F148 HydrophobicContact CB-CG 4.26Å |
| 142 | R | 98 | Very high | 98.1 | Very high | 179 Ų | 179 | 57.5 Ų | 57.5 | 68% | 0.675 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62 | -45.5 | 175.2 | -74 | 175.2 | -178.8 | -175.9 | 0.7 | 112.4 | L138 K139 F140 H144 S145 | L138-R142 WeakPolarHBondContact O-CB 3.38Å; L138-R142 VanDerWaalsContact O-CG 3.3Å; L138-R142 WeakPolarHBondContact O-CG 3.39Å; L138-R142 PolarHBondContact O-N 2.8Å; K139-R142 PolarHBondContact O-N 3.02Å; F140-R142 VanDerWaalsContact C-N 3.33Å; F140-R142 PolarHBondContact O-N 3.31Å; R142-H144 PolarHBondContact O-N 3.01Å; R142-S145 PolarHBondContact O-N 2.95Å |
| 143 | K | 97.6 | Very high | 98.1 | Very high | 142 Ų | 142 | 57.7 Ų | 57.7 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -55 | -39.4 | 177.3 | 178.6 | -170.5 | 170.1 | -164.7 | 0 | 111.4 | E100 K139 F140 | E100-K143 IonicContact OE1-NZ 2.72Å; E100-K143 PolarHBondContact OE1-NZ 3.43Å; K139-K143 WeakPolarHBondContact O-CB 3.22Å; K139-K143 PolarHBondContact O-N 3.14Å; F140-K143 WeakPolarHBondContact O-CB 3.49Å; F140-K143 PolarHBondContact O-N 3.36Å |
| 144 | H | 95.9 | Very high | 98.1 | Very high | 29 Ų | 29 | 58.8 Ų | 58.8 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 11.4 | -173.4 | -69.6 | -67.6 | 0 | 0 | 0 | 114.4 | E100 L103 K117 F140 A141 R142 M146 | E100-H144 IonicContact OE1-CE1 3.51Å; E100-H144 IonicContact OE1-NE2 3.19Å; E100-H144 PolarHBondContact OE1-NE2 2.98Å; E100-H144 IonicContact OE2-CE1 3.1Å; E100-H144 PolarHBondContact OE2-CE1 2.93Å; E100-H144 VanDerWaalsContact OE2-CE1 3.23Å; E100-H144 IonicContact OE2-NE2 3.12Å; E100-H144 PolarHBondContact OE2-NE2 2.9Å; E100-H144 VanDerWaalsContact OE2-NE2 3.16Å; L103-H144 HydrophobicContact CD1-CB 4.14Å; K117-H144 PolarHBondContact NZ-O 3.33Å; F140-H144 AromaticContact CD1-CD2 3.83Å; F140-H144 AromaticContact CE1-CD2 3.51Å; F140-H144 AromaticContact CE2-CD2 3.75Å; F140-H144 AromaticContact CE2-NE2 3.7Å; F140-H144 AromaticContact CZ-CD2 3.46Å; F140-H144 VanDerWaalsContact CZ-CD2 3.46Å; F140-H144 WeakPolarHBondContact CZ-CD2 3.24Å; F140-H144 AromaticContact CZ-NE2 3.62Å; F140-H144 PolarHBondContact O-CD2 2.82Å; F140-H144 PolarHBondContact O-N 3.38Å; F140-H144 VanDerWaalsContact O-N 3.11Å; A141-H144 CarbonylContact O-C 3.34Å; A141-H144 PolarHBondContact O-N 3.35Å; R142-H144 PolarHBondContact O-N 3.01Å; H144-M146 HydrophobicContact CB-CE 4.23Å; H144-M146 HydrophobicContact CB-CG 3.94Å; H144-M146 HydrophobicContact CB-SD 3.99Å |
| 145 | S | 95.8 | Very high | 98.1 | Very high | 102 Ų | 102 | 54.9 Ų | 54.9 | 71% | 0.713 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 55.2 | -178.4 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | A141 R142 | A141-S145 PolarHBondContact O-N 2.8Å; R142-S145 PolarHBondContact O-N 2.95Å |
| 146 | M | 97.5 | Very high | 98.1 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | trans | -115.7 | 154 | -179.6 | -49.6 | 175.3 | 140.5 | 0 | 0 | 111.2 | L86 L103 K117 L119 F140 A141 H144 | L86-M146 HydrophobicContact CD1-CE 3.89Å; L86-M146 HydrophobicContact CD2-CE 3.88Å; L86-M146 HydrophobicContact CG-CE 4.41Å; L103-M146 HydrophobicContact CD1-CE 3.93Å; L103-M146 HydrophobicContact CD2-CE 3.47Å; L103-M146 VanDerWaalsContact CD2-CE 3.47Å; L103-M146 HydrophobicContact CG-CE 4.08Å; K117-M146 HydrophobicContact CB-CB 4.19Å; K117-M146 HydrophobicContact CB-CE 4Å; K117-M146 HydrophobicContact CB-CG 3.77Å; K117-M146 HydrophobicContact CD-CE 3.98Å; K117-M146 HydrophobicContact CG-CE 4.41Å; K117-M146 CarbonylContact O-C 3.55Å; K117-M146 WeakPolarHBondContact O-CA 3.39Å; L119-M146 HydrophobicContact CB-SD 4.03Å; F140-M146 HydrophobicContact CD1-SD 4.39Å; F140-M146 HydrophobicContact CE1-SD 4.25Å; A141-M146 HydrophobicContact CB-CB 4.03Å; A141-M146 PolarHBondContact O-N 3.22Å; H144-M146 HydrophobicContact CB-CE 4.23Å; H144-M146 HydrophobicContact CB-CG 3.94Å; H144-M146 HydrophobicContact CB-SD 3.99Å | ||
| 147 | L | 98.4 | Very high | 98.1 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 157.7 | 157.7 | -56.6 | 174.5 | 0 | 0 | 0 | 109.5 | V116 K117 M118 L119 E165 K169 | V116-L147 HydrophobicContact CG1-CD1 4.28Å; K117-L147 PolarHBondContact O-N 3.3Å; M118-L147 HydrophobicContact CB-CB 4.46Å; M118-L147 HydrophobicContact CE-CB 3.39Å; M118-L147 HydrophobicContact CE-CD1 3.67Å; M118-L147 HydrophobicContact CE-CG 4.18Å; M118-L147 HydrophobicContact SD-CB 3.53Å; M118-L147 VanDerWaalsContact SD-CB 3.53Å; L119-L147 PolarHBondContact N-O 2.9Å; L147-E165 HydrophobicContact CD1-CB 4.5Å; L147-K169 HydrophobicContact CD1-CB 3.93Å; L147-K169 HydrophobicContact CD1-CG 4.23Å |
| 148 | F | 98.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 13% | 0.127 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 123.7 | 179.4 | 177.2 | -121 | 0 | 0 | 0 | 112.4 | Y88 L119 R134 L138 A141 E150 | Y88-F148 HydrophobicContact CE1-CE2 4.29Å; L119-F148 HydrophobicContact CB-CD2 4.03Å; L119-F148 HydrophobicContact CD2-CD2 3.74Å; L119-F148 HydrophobicContact CD2-CE2 4.05Å; L119-F148 HydrophobicContact CG-CD2 3.89Å; L119-F148 HydrophobicContact CG-CE2 4.28Å; L119-F148 WeakPolarHBondContact O-CA 3.25Å; L119-F148 WeakPolarHBondContact O-CD2 3.32Å; R134-F148 HydrophobicContact CG-CE1 3.84Å; R134-F148 HydrophobicContact CG-CZ 4.31Å; L138-F148 HydrophobicContact CB-CD1 3.98Å; L138-F148 HydrophobicContact CB-CE1 4.1Å; L138-F148 HydrophobicContact CD1-CD1 4Å; A141-F148 HydrophobicContact CB-CB 3.64Å; A141-F148 HydrophobicContact CB-CG 4.26Å; F148-E150 HydrophobicContact CE1-CG 4.33Å; F148-E150 HydrophobicContact CE2-CG 4.4Å; F148-E150 HydrophobicContact CZ-CG 3.75Å |
| 149 | I | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.1 | 172.6 | -79.2 | 179.8 | 0 | 0 | 0 | 109.7 | M118 L119 V120 G121 A151 G158 C161 A162 E165 | M118-I149 HydrophobicContact CE-CD1 4.12Å; M118-I149 HydrophobicContact CE-CG1 4.4Å; M118-I149 HydrophobicContact SD-CB 4.26Å; M118-I149 HydrophobicContact SD-CG1 4.37Å; L119-I149 PolarHBondContact O-N 2.69Å; V120-I149 VanDerWaalsContact CA-O 3.25Å; V120-I149 WeakPolarHBondContact CA-O 3.35Å; G121-I149 PolarHBondContact N-O 3.36Å; I149-A151 HydrophobicContact CG2-CB 4.48Å; I149-G158 WeakPolarHBondContact CG2-O 3.41Å; I149-C161 VanDerWaalsContact CD1-C 3.47Å; I149-C161 HydrophobicContact CD1-CB 3.67Å; I149-A162 HydrophobicContact CB-CB 4.37Å; I149-A162 HydrophobicContact CD1-CB 4.32Å; I149-A162 HydrophobicContact CG2-CB 4.1Å; I149-E165 HydrophobicContact CD1-CG 4.31Å; I149-E165 WeakPolarHBondContact CD1-OE2 3.45Å |
| 150 | E | 98.7 | Very high | 98 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 140.2 | 162.5 | -75.9 | -171.7 | 137.5 | 0 | 0 | 109.4 | G121 I124 R130 R134 F148 | G121-E150 CarbonylContact O-C 3.46Å; G121-E150 VanDerWaalsContact O-CA 3.28Å; G121-E150 WeakPolarHBondContact O-CA 3.42Å; I124-E150 HydrophobicContact CD1-CB 4.3Å; I124-E150 HydrophobicContact CG2-CB 3.74Å; I124-E150 HydrophobicContact CG2-CG 4.21Å; R130-E150 IonicContact CZ-OE1 3.04Å; R130-E150 IonicContact NH1-OE1 3.16Å; R130-E150 PolarHBondContact NH1-OE1 2.97Å; R130-E150 IonicContact NH2-OE1 3.23Å; R130-E150 PolarHBondContact NH2-OE1 3.01Å; R130-E150 IonicContact NH2-OE2 2.76Å; R134-E150 VanDerWaalsContact CD-OE2 3.28Å; R134-E150 WeakPolarHBondContact CD-OE2 2.79Å; R134-E150 HydrophobicContact CG-CG 4.32Å; R134-E150 WeakPolarHBondContact CG-OE2 3.28Å; R134-E150 IonicContact CZ-OE2 3.78Å; R134-E150 IonicContact NE-OE2 3.96Å; R134-E150 IonicContact NH1-OE2 3.89Å; R134-E150 PolarHBondContact NH1-OE2 3.07Å; F148-E150 HydrophobicContact CE1-CG 4.33Å; F148-E150 HydrophobicContact CE2-CG 4.4Å; F148-E150 HydrophobicContact CZ-CG 3.75Å |
| 151 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L24 V120 G121 N122 K123 I124 I149 D157 V159 | L24-A151 HydrophobicContact CD2-CB 4.02Å; V120-A151 HydrophobicContact CG1-CB 3.76Å; G121-A151 PolarHBondContact O-N 3.36Å; N122-A151 CarbonylContact C-O 3.47Å; N122-A151 VanDerWaalsContact CA-O 3.24Å; N122-A151 WeakPolarHBondContact CA-O 3.41Å; N122-A151 PolarHBondContact OD1-O 3.02Å; K123-A151 PolarHBondContact N-O 3.19Å; I124-A151 PolarHBondContact N-O 3.42Å; I149-A151 HydrophobicContact CG2-CB 4.48Å; A151-D157 CarbonylContact C-O 3.54Å; A151-D157 WeakPolarHBondContact CA-O 3.32Å; A151-D157 WeakPolarHBondContact CB-O 3.4Å; A151-V159 HydrophobicContact CB-CG2 4.36Å |
| 152 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -134.5 | 114.6 | 163.2 | 174.5 | 0 | 0 | 0 | 0 | 110 | D125 K154 T155 R156 D157 V159 | D125-S152 VanDerWaalsContact CG-OG 3.32Å; D125-S152 WeakPolarHBondContact OD1-CB 3.47Å; D125-S152 PolarHBondContact OD1-OG 2.8Å; S152-K154 PolarHBondContact O-N 3.36Å; S152-K154 VanDerWaalsContact O-N 3.17Å; S152-K154 WeakPolarHBondContact OG-CB 3.45Å; S152-K154 PolarHBondContact OG-N 2.88Å; S152-K154 VanDerWaalsContact OG-N 3.15Å; S152-T155 WeakPolarHBondContact CB-OG1 3.23Å; S152-T155 PolarHBondContact O-N 3.22Å; S152-T155 PolarHBondContact OG-N 2.88Å; S152-T155 VanDerWaalsContact OG-N 3.14Å; S152-T155 PolarHBondContact OG-OG1 3.07Å; S152-R156 CarbonylContact O-C 3.57Å; S152-R156 WeakPolarHBondContact O-CA 3.25Å; S152-R156 PolarHBondContact O-N 3.38Å; S152-D157 PolarHBondContact N-O 2.69Å; S152-V159 WeakPolarHBondContact O-CG2 3.28Å | ||
| 153 | A | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L24 R27 F33 N122 | L24-A153 HydrophobicContact CD2-CB 4.1Å; L24-A153 HydrophobicContact CG-CB 4.31Å; R27-A153 HydrophobicContact CB-CB 4.47Å; R27-A153 PolarHBondContact NE-O 3.17Å; F33-A153 HydrophobicContact CD2-CB 4.14Å; F33-A153 HydrophobicContact CE2-CB 4.37Å; N122-A153 PolarHBondContact OD1-N 2.94Å |
| 154 | K | 98.1 | Very high | 98 | Very high | 117 Ų | 117 | 42.6 Ų | 42.6 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -50.8 | -178.8 | -174.7 | -175.1 | 179.1 | -174.2 | 0 | 111.7 | F33 D125 S152 | F33-K154 HydrophobicContact CD1-CB 4.44Å; F33-K154 HydrophobicContact CD1-CG 4.18Å; F33-K154 HydrophobicContact CD2-CB 4.3Å; F33-K154 HydrophobicContact CE1-CB 4.22Å; F33-K154 HydrophobicContact CE1-CG 3.95Å; F33-K154 HydrophobicContact CE2-CB 4.08Å; F33-K154 HydrophobicContact CG-CB 4.48Å; F33-K154 HydrophobicContact CZ-CB 4.04Å; F33-K154 HydrophobicContact CZ-CG 4.22Å; D125-K154 VanDerWaalsContact OD2-CD 3.29Å; D125-K154 WeakPolarHBondContact OD2-CD 3.3Å; S152-K154 PolarHBondContact O-N 3.36Å; S152-K154 VanDerWaalsContact O-N 3.17Å; S152-K154 WeakPolarHBondContact OG-CB 3.45Å; S152-K154 PolarHBondContact OG-N 2.88Å; S152-K154 VanDerWaalsContact OG-N 3.15Å |
| 155 | T | 98.1 | Very high | 98.1 | Very high | 60 Ų | 60 | 45.1 Ų | 45.1 | 37% | 0.368 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -4.1 | -175.8 | 62.7 | 0 | 0 | 0 | 0 | 113.8 | D125 S152 D157 | D125-T155 HydrophobicContact CB-CG2 3.82Å; S152-T155 WeakPolarHBondContact CB-OG1 3.23Å; S152-T155 PolarHBondContact O-N 3.22Å; S152-T155 PolarHBondContact OG-N 2.88Å; S152-T155 VanDerWaalsContact OG-N 3.14Å; S152-T155 PolarHBondContact OG-OG1 3.07Å; T155-D157 WeakPolarHBondContact CB-OD2 3.44Å; T155-D157 PolarHBondContact O-N 3.33Å; T155-D157 VanDerWaalsContact OG1-CG 3.24Å; T155-D157 PolarHBondContact OG1-OD2 3.36Å |
| 156 | R | 98.3 | Very high | 98.2 | Very high | 134 Ų | 134 | 40.3 Ų | 40.3 | 51% | 0.506 | 20% | 0.203 | S | C | . | . | trans | 78.1 | -11.3 | -177.1 | -41.7 | 174.3 | 179.9 | -149.6 | -15.1 | 114.1 | D31 S152 G158 V159 | D31-R156 IonicContact OD1-CZ 3.91Å; D31-R156 IonicContact OD1-NE 2.79Å; D31-R156 PolarHBondContact OD1-NE 3.37Å; D31-R156 IonicContact OD1-NH1 3.28Å; D31-R156 PolarHBondContact OD1-NH1 2.87Å; D31-R156 IonicContact OD1-NH2 3.48Å; D31-R156 IonicContact OD2-CZ 3.79Å; D31-R156 IonicContact OD2-NH1 3.42Å; D31-R156 PolarHBondContact OD2-NH1 3.21Å; D31-R156 IonicContact OD2-NH2 2.73Å; D31-R156 PolarHBondContact OD2-NH2 3.15Å; D31-R156 VanDerWaalsContact OD2-NH2 3.1Å; S152-R156 CarbonylContact O-C 3.57Å; S152-R156 WeakPolarHBondContact O-CA 3.25Å; S152-R156 PolarHBondContact O-N 3.38Å; R156-G158 PolarHBondContact O-N 2.93Å; R156-V159 PolarHBondContact O-N 3.34Å | ||
| 157 | D | 98.6 | Very high | 98.1 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 48% | 0.476 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 131 | -176.4 | -61.5 | -35.8 | 0 | 0 | 0 | 111 | I124 A151 S152 T155 V159 | I124-D157 HydrophobicContact CD1-CB 4.22Å; A151-D157 CarbonylContact C-O 3.54Å; A151-D157 WeakPolarHBondContact CA-O 3.32Å; A151-D157 WeakPolarHBondContact CB-O 3.4Å; S152-D157 PolarHBondContact N-O 2.69Å; T155-D157 WeakPolarHBondContact CB-OD2 3.44Å; T155-D157 PolarHBondContact O-N 3.33Å; T155-D157 VanDerWaalsContact OG1-CG 3.24Å; T155-D157 PolarHBondContact OG1-OD2 3.36Å; D157-V159 PolarHBondContact O-N 2.59Å |
| 158 | G | 98.1 | Very high | 98 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 24% | 0.237 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | -8.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | I149 R156 A162 | I149-G158 WeakPolarHBondContact CG2-O 3.41Å; R156-G158 PolarHBondContact O-N 2.93Å; G158-A162 WeakPolarHBondContact O-CB 3.49Å; G158-A162 PolarHBondContact O-N 2.82Å |
| 159 | V | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -53.3 | -174.6 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | L24 R27 F28 A151 S152 R156 D157 C161 A162 F163 | L24-V159 HydrophobicContact CD2-CB 4.48Å; L24-V159 HydrophobicContact CD2-CG1 4.27Å; L24-V159 HydrophobicContact CD2-CG2 3.68Å; R27-V159 HydrophobicContact CB-CG1 4.21Å; R27-V159 HydrophobicContact CG-CB 4.11Å; R27-V159 HydrophobicContact CG-CG1 3.87Å; R27-V159 HydrophobicContact CG-CG2 3.94Å; F28-V159 HydrophobicContact CB-CG1 4.01Å; A151-V159 HydrophobicContact CB-CG2 4.36Å; S152-V159 WeakPolarHBondContact O-CG2 3.28Å; R156-V159 PolarHBondContact O-N 3.34Å; D157-V159 PolarHBondContact O-N 2.59Å; V159-C161 PolarHBondContact O-N 2.86Å; V159-A162 PolarHBondContact O-N 3.07Å; V159-F163 HydrophobicContact CG1-CE2 4.3Å; V159-F163 WeakPolarHBondContact O-CD2 3.17Å |
| 160 | Q | 97.4 | Very high | 97.7 | Very high | 71 Ų | 71 | 42.6 Ų | 42.6 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.9 | -46.2 | -178.7 | -170.6 | 66.5 | 16.8 | 0 | 0 | 111.2 | F28 A162 F163 E164 | F28-Q160 VanDerWaalsContact CE2-OE1 3.26Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.07Å; Q160-F163 PolarHBondContact O-N 3.25Å; Q160-E164 HydrophobicContact CG-CG 4.26Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.16Å; Q160-E164 PolarHBondContact NE2-OE1 3.32Å; Q160-E164 WeakPolarHBondContact O-CG 3.5Å; Q160-E164 PolarHBondContact O-N 3.19Å |
| 161 | C | 97.9 | Very high | 97.4 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 41% | 0.405 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.4 | -39.9 | 178.1 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | I149 V159 F163 E164 E165 | I149-C161 VanDerWaalsContact CD1-C 3.47Å; I149-C161 HydrophobicContact CD1-CB 3.67Å; V159-C161 PolarHBondContact O-N 2.86Å; C161-F163 VanDerWaalsContact C-N 3.31Å; C161-F163 PolarHBondContact O-N 3.15Å; C161-E164 PolarHBondContact O-N 2.82Å; C161-E165 WeakPolarHBondContact O-CB 3.42Å; C161-E165 WeakPolarHBondContact O-CG 3.44Å; C161-E165 PolarHBondContact O-N 3.49Å |
| 162 | A | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -39.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M118 V120 I149 G158 V159 Q160 L166 | M118-A162 WeakPolarHBondContact CE-O 3.29Å; V120-A162 HydrophobicContact CG2-CB 4.01Å; I149-A162 HydrophobicContact CB-CB 4.37Å; I149-A162 HydrophobicContact CD1-CB 4.32Å; I149-A162 HydrophobicContact CG2-CB 4.1Å; G158-A162 WeakPolarHBondContact O-CB 3.49Å; G158-A162 PolarHBondContact O-N 2.82Å; V159-A162 PolarHBondContact O-N 3.07Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.07Å; A162-L166 WeakPolarHBondContact O-CB 3.33Å |
| 163 | F | 97.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.022 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -81.1 | -40.8 | 178.1 | -72.5 | -90.9 | 0 | 0 | 0 | 111.9 | I13 F28 I61 I85 V159 Q160 C161 L166 V167 | I13-F163 HydrophobicContact CD1-CE1 4.11Å; I13-F163 HydrophobicContact CD1-CZ 3.92Å; F28-F163 HydrophobicContact CB-CD2 3.88Å; F28-F163 HydrophobicContact CB-CE2 3.65Å; F28-F163 HydrophobicContact CB-CZ 4.17Å; F28-F163 HydrophobicContact CD1-CB 4.47Å; F28-F163 AromaticContact CD1-CD1 3.85Å; F28-F163 HydrophobicContact CD1-CD1 3.85Å; F28-F163 AromaticContact CD1-CD2 3.98Å; F28-F163 HydrophobicContact CD1-CD2 3.98Å; F28-F163 AromaticContact CD1-CE1 4Å; F28-F163 HydrophobicContact CD1-CE1 4Å; F28-F163 HydrophobicContact CD1-CE2 4.14Å; F28-F163 AromaticContact CD1-CG 3.84Å; F28-F163 HydrophobicContact CD1-CG 3.84Å; F28-F163 HydrophobicContact CD1-CZ 4.15Å; F28-F163 HydrophobicContact CD2-CB 3.93Å; F28-F163 AromaticContact CD2-CD2 3.6Å; F28-F163 HydrophobicContact CD2-CD2 3.6Å; F28-F163 HydrophobicContact CD2-CE2 4.28Å; F28-F163 AromaticContact CD2-CG 3.82Å; F28-F163 HydrophobicContact CD2-CG 3.82Å; F28-F163 HydrophobicContact CE1-CB 4.04Å; F28-F163 AromaticContact CE1-CD1 3.76Å; F28-F163 HydrophobicContact CE1-CD1 3.76Å; F28-F163 HydrophobicContact CE1-CD2 4.38Å; F28-F163 HydrophobicContact CE1-CE1 4.3Å; F28-F163 AromaticContact CE1-CG 3.81Å; F28-F163 HydrophobicContact CE1-CG 3.81Å; F28-F163 HydrophobicContact CE2-CB 3.45Å; F28-F163 VanDerWaalsContact CE2-CB 3.45Å; F28-F163 HydrophobicContact CE2-CD2 4.07Å; F28-F163 AromaticContact CE2-CG 3.81Å; F28-F163 HydrophobicContact CE2-CG 3.81Å; F28-F163 HydrophobicContact CG-CB 4.4Å; F28-F163 HydrophobicContact CG-CD1 4.27Å; F28-F163 AromaticContact CG-CD2 3.54Å; F28-F163 HydrophobicContact CG-CD2 3.54Å; F28-F163 HydrophobicContact CG-CE1 4.46Å; F28-F163 AromaticContact CG-CE2 3.78Å; F28-F163 HydrophobicContact CG-CE2 3.78Å; F28-F163 AromaticContact CG-CG 3.83Å; F28-F163 HydrophobicContact CG-CG 3.83Å; F28-F163 HydrophobicContact CG-CZ 4.23Å; F28-F163 HydrophobicContact CZ-CB 3.51Å; F28-F163 HydrophobicContact CZ-CD1 4.15Å; F28-F163 HydrophobicContact CZ-CD2 4.42Å; F28-F163 AromaticContact CZ-CG 3.8Å; F28-F163 HydrophobicContact CZ-CG 3.8Å; I61-F163 HydrophobicContact CD1-CD1 4.34Å; I61-F163 HydrophobicContact CD1-CE1 4.08Å; I61-F163 HydrophobicContact CG2-CE1 4.47Å; I85-F163 HydrophobicContact CD1-CD1 3.64Å; I85-F163 HydrophobicContact CD1-CE1 3.41Å; I85-F163 VanDerWaalsContact CD1-CE1 3.41Å; I85-F163 HydrophobicContact CD1-CE2 4.33Å; I85-F163 HydrophobicContact CD1-CG 4.21Å; I85-F163 HydrophobicContact CD1-CZ 3.79Å; V159-F163 HydrophobicContact CG1-CE2 4.3Å; V159-F163 WeakPolarHBondContact O-CD2 3.17Å; Q160-F163 PolarHBondContact O-N 3.25Å; C161-F163 VanDerWaalsContact C-N 3.31Å; C161-F163 PolarHBondContact O-N 3.15Å; F163-L166 PolarHBondContact O-N 3.17Å; F163-V167 WeakPolarHBondContact O-CB 3.48Å; F163-V167 VanDerWaalsContact O-CG2 3.24Å; F163-V167 WeakPolarHBondContact O-CG2 3.49Å; F163-V167 PolarHBondContact O-N 3.18Å |
| 164 | E | 97.1 | Very high | 95.7 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.4 | -48.7 | -179.9 | -73.2 | 176.2 | 169.2 | 0 | 0 | 112.1 | I50 V52 Q160 C161 L166 V167 E168 | I50-E164 HydrophobicContact CD1-CG 4.36Å; V52-E164 HydrophobicContact CG2-CG 4.33Å; Q160-E164 HydrophobicContact CG-CG 4.26Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.16Å; Q160-E164 PolarHBondContact NE2-OE1 3.32Å; Q160-E164 WeakPolarHBondContact O-CG 3.5Å; Q160-E164 PolarHBondContact O-N 3.19Å; C161-E164 PolarHBondContact O-N 2.82Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.42Å; E164-V167 PolarHBondContact O-N 3.44Å; E164-V167 VanDerWaalsContact O-N 3.11Å; E164-E168 WeakPolarHBondContact O-CB 3.49Å; E164-E168 PolarHBondContact O-N 3.45Å |
| 165 | E | 97.7 | Very high | 94.9 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 178.8 | -71.4 | -173.9 | -164.4 | 0 | 0 | 112.1 | M118 L147 I149 C161 K169 | M118-E165 HydrophobicContact CE-CB 3.95Å; L147-E165 HydrophobicContact CD1-CB 4.5Å; I149-E165 HydrophobicContact CD1-CG 4.31Å; I149-E165 WeakPolarHBondContact CD1-OE2 3.45Å; C161-E165 WeakPolarHBondContact O-CB 3.42Å; C161-E165 WeakPolarHBondContact O-CG 3.44Å; C161-E165 PolarHBondContact O-N 3.49Å; E165-K169 VanDerWaalsContact O-CB 3.26Å; E165-K169 WeakPolarHBondContact O-CB 3.42Å; E165-K169 PolarHBondContact O-N 2.88Å |
| 166 | L | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 173.5 | 175.4 | 63.1 | 0 | 0 | 0 | 110.7 | I11 I85 V116 M118 A162 F163 E164 K169 I170 | I11-L166 HydrophobicContact CD1-CD2 4.1Å; I11-L166 HydrophobicContact CG2-CD2 3.89Å; I85-L166 HydrophobicContact CD1-CD2 3.93Å; I85-L166 HydrophobicContact CG1-CD2 3.5Å; V116-L166 HydrophobicContact CB-CD1 3.92Å; V116-L166 HydrophobicContact CG1-CD1 3.55Å; M118-L166 HydrophobicContact CB-CB 4.43Å; M118-L166 HydrophobicContact CB-CD1 4.2Å; A162-L166 WeakPolarHBondContact O-CB 3.33Å; F163-L166 PolarHBondContact O-N 3.17Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.42Å; L166-K169 PolarHBondContact O-N 2.77Å; L166-I170 HydrophobicContact CD1-CD1 4.14Å; L166-I170 HydrophobicContact CD1-CG1 4.5Å; L166-I170 HydrophobicContact CG-CD1 4.01Å; L166-I170 WeakPolarHBondContact O-CD1 3.02Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.42Å; L166-I170 PolarHBondContact O-N 3.1Å |
| 167 | V | 96.7 | Very high | 93 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.9 | -44.3 | -178.5 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | L9 I50 V52 A57 L59 F163 E164 K169 I170 L171 | L9-V167 HydrophobicContact CD1-CB 4.46Å; L9-V167 HydrophobicContact CD1-CG1 3.84Å; L9-V167 HydrophobicContact CD1-CG2 4.26Å; I50-V167 HydrophobicContact CD1-CB 4.11Å; I50-V167 HydrophobicContact CD1-CG1 4.09Å; I50-V167 HydrophobicContact CD1-CG2 4Å; V52-V167 HydrophobicContact CB-CG1 4.37Å; V52-V167 HydrophobicContact CG2-CB 4.43Å; V52-V167 HydrophobicContact CG2-CG1 4.01Å; A57-V167 HydrophobicContact CB-CG1 4.3Å; L59-V167 HydrophobicContact CD1-CG2 3.87Å; L59-V167 HydrophobicContact CD2-CG1 4.39Å; L59-V167 HydrophobicContact CD2-CG2 3.48Å; L59-V167 VanDerWaalsContact CD2-CG2 3.48Å; L59-V167 HydrophobicContact CG-CG2 4.32Å; F163-V167 WeakPolarHBondContact O-CB 3.48Å; F163-V167 VanDerWaalsContact O-CG2 3.24Å; F163-V167 WeakPolarHBondContact O-CG2 3.49Å; F163-V167 PolarHBondContact O-N 3.18Å; E164-V167 PolarHBondContact O-N 3.44Å; E164-V167 VanDerWaalsContact O-N 3.11Å; V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 PolarHBondContact O-N 3.36Å; V167-I170 WeakPolarHBondContact O-CB 3.41Å; V167-I170 PolarHBondContact O-N 2.99Å; V167-I170 VanDerWaalsContact O-N 3.15Å; V167-L171 HydrophobicContact CG1-CD1 4.03Å; V167-L171 HydrophobicContact CG1-CG 4.34Å; V167-L171 WeakPolarHBondContact O-CG 3.31Å; V167-L171 PolarHBondContact O-N 3.33Å |
| 168 | E | 95.8 | Very high | 91.9 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53.3 | -50 | 173.6 | -165.8 | -165.7 | 147 | 0 | 0 | 110.2 | V52 D53 E164 I170 L171 Q172 | V52-E168 HydrophobicContact CG1-CB 3.69Å; V52-E168 HydrophobicContact CG1-CG 4Å; D53-E168 WeakPolarHBondContact OD2-CG 3.38Å; E164-E168 WeakPolarHBondContact O-CB 3.49Å; E164-E168 PolarHBondContact O-N 3.45Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 2.71Å; E168-L171 PolarHBondContact O-N 3.38Å; E168-L171 VanDerWaalsContact O-N 3.15Å; E168-Q172 WeakPolarHBondContact O-CG 3.4Å; E168-Q172 PolarHBondContact O-N 2.92Å; E168-Q172 PolarHBondContact OE1-NE2 2.65Å |
| 169 | K | 95.9 | Very high | 89.9 | Confident | 91 Ų | 91 | 48.2 Ų | 48.2 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.7 | -35.5 | -179.8 | -173.9 | 58.5 | 175.2 | 177.2 | 0 | 112.9 | V116 L147 E165 L166 V167 T173 | V116-K169 HydrophobicContact CG1-CB 3.91Å; V116-K169 HydrophobicContact CG1-CG 3.55Å; V116-K169 HydrophobicContact CG2-CG 4.12Å; L147-K169 HydrophobicContact CD1-CB 3.93Å; L147-K169 HydrophobicContact CD1-CG 4.23Å; E165-K169 VanDerWaalsContact O-CB 3.26Å; E165-K169 WeakPolarHBondContact O-CB 3.42Å; E165-K169 PolarHBondContact O-N 2.88Å; L166-K169 PolarHBondContact O-N 2.77Å; V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 PolarHBondContact O-N 3.36Å; K169-T173 PolarHBondContact O-N 2.81Å; K169-T173 PolarHBondContact O-OG1 3.41Å |
| 170 | I | 94.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -48 | 173.2 | -70.1 | 163.6 | 0 | 0 | 0 | 110.2 | L9 I11 Q82 V116 L166 V167 E168 Q172 T173 L176 W177 | L9-I170 HydrophobicContact CD1-CB 4.35Å; L9-I170 HydrophobicContact CD1-CD1 4.49Å; L9-I170 HydrophobicContact CD1-CG2 3.89Å; L9-I170 HydrophobicContact CD2-CG2 3.78Å; L9-I170 HydrophobicContact CG-CG2 4.43Å; I11-I170 HydrophobicContact CD1-CD1 3.57Å; Q82-I170 HydrophobicContact CB-CD1 4.27Å; Q82-I170 HydrophobicContact CB-CG2 4.05Å; V116-I170 HydrophobicContact CB-CG1 3.8Å; V116-I170 HydrophobicContact CG2-CG1 3.72Å; L166-I170 HydrophobicContact CD1-CD1 4.14Å; L166-I170 HydrophobicContact CD1-CG1 4.5Å; L166-I170 HydrophobicContact CG-CD1 4.01Å; L166-I170 WeakPolarHBondContact O-CD1 3.02Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.42Å; L166-I170 PolarHBondContact O-N 3.1Å; V167-I170 WeakPolarHBondContact O-CB 3.41Å; V167-I170 PolarHBondContact O-N 2.99Å; V167-I170 VanDerWaalsContact O-N 3.15Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 2.71Å; I170-Q172 VanDerWaalsContact C-N 3.28Å; I170-Q172 PolarHBondContact O-N 3.29Å; I170-T173 WeakPolarHBondContact O-CB 3.09Å; I170-T173 PolarHBondContact O-N 3.29Å; I170-L176 HydrophobicContact CB-CD2 4.2Å; I170-L176 HydrophobicContact CG1-CD2 4.07Å; I170-L176 HydrophobicContact CG2-CD2 3.87Å; I170-L176 HydrophobicContact CG2-CG 4.11Å; I170-W177 HydrophobicContact CG2-CB 4.26Å; I170-W177 VanDerWaalsContact O-CD1 3.23Å |
| 171 | L | 92.1 | Very high | 84.9 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -33 | -179.4 | -67.5 | 177.1 | 0 | 0 | 0 | 112.4 | L6 T7 L9 N55 V167 E168 T173 W177 | L6-L171 HydrophobicContact CD2-CD2 4.14Å; T7-L171 HydrophobicContact CG2-CD2 4.06Å; L9-L171 HydrophobicContact CD1-CD2 4.43Å; N55-L171 HydrophobicContact CB-CD1 4.13Å; V167-L171 HydrophobicContact CG1-CD1 4.03Å; V167-L171 HydrophobicContact CG1-CG 4.34Å; V167-L171 WeakPolarHBondContact O-CG 3.31Å; V167-L171 PolarHBondContact O-N 3.33Å; E168-L171 PolarHBondContact O-N 3.38Å; E168-L171 VanDerWaalsContact O-N 3.15Å; L171-T173 VanDerWaalsContact C-N 3.26Å; L171-T173 PolarHBondContact O-N 3.32Å; L171-W177 HydrophobicContact CD2-CD2 3.85Å; L171-W177 HydrophobicContact CD2-CE3 4.34Å; L171-W177 HydrophobicContact CD2-CG 3.95Å; L171-W177 PolarHBondContact O-NE1 3.37Å |
| 172 | Q | 91.3 | Very high | 82 | Confident | 102 Ų | 102 | 61.3 Ų | 61.3 | 48% | 0.477 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7.7 | 174.1 | -68.8 | 172.5 | 3.9 | 0 | 0 | 113.8 | E168 I170 P174 | E168-Q172 WeakPolarHBondContact O-CG 3.4Å; E168-Q172 PolarHBondContact O-N 2.92Å; E168-Q172 PolarHBondContact OE1-NE2 2.65Å; I170-Q172 VanDerWaalsContact C-N 3.28Å; I170-Q172 PolarHBondContact O-N 3.29Å; Q172-P174 WeakPolarHBondContact O-CD 3.39Å |
| 173 | T | 88.1 | Confident | 79.2 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 18% | 0.184 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -95.2 | 108.3 | 179.8 | -57.4 | 0 | 0 | 0 | 0 | 110 | K169 I170 L171 L176 | K169-T173 PolarHBondContact O-N 2.81Å; K169-T173 PolarHBondContact O-OG1 3.41Å; I170-T173 WeakPolarHBondContact O-CB 3.09Å; I170-T173 PolarHBondContact O-N 3.29Å; L171-T173 VanDerWaalsContact C-N 3.26Å; L171-T173 PolarHBondContact O-N 3.32Å; T173-L176 HydrophobicContact CG2-CB 3.92Å; T173-L176 HydrophobicContact CG2-CD2 4.01Å; T173-L176 WeakPolarHBondContact O-CB 3.34Å; T173-L176 PolarHBondContact O-N 3.35Å |
| 174 | P | 81 | Confident | 76.5 | Confident | 110 Ų | 110 | 78 Ų | 78 | 71% | 0.714 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 139.3 | -176.6 | -23.3 | 34.9 | 0 | 0 | 0 | 112.3 | Q172 L176 | Q172-P174 WeakPolarHBondContact O-CD 3.39Å; P174-L176 PolarHBondContact O-N 3.21Å |
| 175 | G | 80.8 | Confident | 73.9 | Confident | 37 Ų | 37 | 77.8 Ų | 77.8 | 38% | 0.381 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -1.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | R112 | R112-G175 PolarHBondContact NH2-O 2.8Å; R112-G175 VanDerWaalsContact NH2-O 3.15Å |
| 176 | L | 81.1 | Confident | 71.7 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -36.9 | 178.3 | -174.6 | 57.6 | 0 | 0 | 0 | 112.3 | Q82 D114 V116 I170 T173 P174 | Q82-L176 HydrophobicContact CB-CD1 4.17Å; Q82-L176 HydrophobicContact CB-CG 4.11Å; Q82-L176 HydrophobicContact CG-CD1 4.12Å; Q82-L176 HydrophobicContact CG-CG 4.17Å; Q82-L176 WeakPolarHBondContact CG-O 3.4Å; D114-L176 WeakPolarHBondContact O-CD2 3.24Å; D114-L176 WeakPolarHBondContact OD2-CD1 3.2Å; V116-L176 HydrophobicContact CG2-CD2 3.65Å; I170-L176 HydrophobicContact CB-CD2 4.2Å; I170-L176 HydrophobicContact CG1-CD2 4.07Å; I170-L176 HydrophobicContact CG2-CD2 3.87Å; I170-L176 HydrophobicContact CG2-CG 4.11Å; T173-L176 HydrophobicContact CG2-CB 3.92Å; T173-L176 HydrophobicContact CG2-CD2 4.01Å; T173-L176 WeakPolarHBondContact O-CB 3.34Å; T173-L176 PolarHBondContact O-N 3.35Å; P174-L176 PolarHBondContact O-N 3.21Å |
| 177 | W | 76.1 | Confident | 69.3 | Low | 47 Ų | 47 | 88.8 Ų | 88.8 | 18% | 0.178 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -121 | -15.4 | -175.7 | 64.9 | -88 | 0 | 0 | 0 | 114.1 | L6 T7 L9 I170 L171 S179 | L6-W177 HydrophobicContact CD1-CH2 3.88Å; L6-W177 HydrophobicContact CD1-CZ3 3.68Å; L6-W177 HydrophobicContact CD2-CE3 4.29Å; L6-W177 HydrophobicContact CD2-CH2 3.6Å; L6-W177 HydrophobicContact CD2-CZ2 4.28Å; L6-W177 HydrophobicContact CD2-CZ3 3.61Å; L6-W177 HydrophobicContact CG-CE3 4.23Å; L6-W177 HydrophobicContact CG-CH2 3.89Å; L6-W177 HydrophobicContact CG-CZ3 3.47Å; L6-W177 VanDerWaalsContact CG-CZ3 3.47Å; T7-W177 HydrophobicContact CG2-CB 4.18Å; T7-W177 HydrophobicContact CG2-CD2 4.3Å; T7-W177 HydrophobicContact CG2-CE3 3.73Å; T7-W177 PolarHBondContact OG1-O 3.36Å; L9-W177 HydrophobicContact CD2-CB 3.57Å; I170-W177 HydrophobicContact CG2-CB 4.26Å; I170-W177 VanDerWaalsContact O-CD1 3.23Å; L171-W177 HydrophobicContact CD2-CD2 3.85Å; L171-W177 HydrophobicContact CD2-CE3 4.34Å; L171-W177 HydrophobicContact CD2-CG 3.95Å; L171-W177 PolarHBondContact O-NE1 3.37Å; W177-S179 PolarHBondContact O-N 2.76Å |
| 178 | E | 75 | Confident | 66.9 | Low | 116 Ų | 116 | 96 Ų | 96 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | trans | -66.3 | 105.3 | 170.3 | -67.7 | 170.9 | -170 | 0 | 0 | 107.7 | N180 | E178-N180 PolarHBondContact O-N 3.11Š| ||
| 179 | S | 57.6 | Low | 64.2 | Low | 95 Ų | 95 | 96.1 Ų | 96.1 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | trans | -59.9 | 134.8 | 170.4 | -60.3 | 0 | 0 | 0 | 0 | 107.5 | W177 A181 | W177-S179 PolarHBondContact O-N 2.76Å; S179-A181 PolarHBondContact O-N 3.49Å | ||
| 180 | N | 46.3 | Very low | 61.7 | Low | 169 Ų | 169 | 99.3 Ų | 99.3 | 90% | 0.904 | 57% | 0.569 | S | S | * | * | trans | -61.8 | 73.2 | 161.5 | -100.8 | -20.8 | 0 | 0 | 0 | 108.3 | E178 Q182 | E178-N180 PolarHBondContact O-N 3.11Å; N180-Q182 PolarHBondContact O-N 3.39Å | ||
| 181 | A | 43.4 | Very low | 59.1 | Low | 85 Ų | 85 | 108 Ų | 108 | 70% | 0.702 | 61% | 0.609 | S | S | * | * | trans | -95.3 | 43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S179 | S179-A181 PolarHBondContact O-N 3.49Š| ||
| 182 | Q | 37 | Very low | 56.5 | Low | 155 Ų | 155 | 114.2 Ų | 114.2 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | trans | -145.6 | 119.9 | 147 | -71.9 | -162.6 | -12.2 | 0 | 0 | 107.7 | N180 R184 | N180-Q182 PolarHBondContact O-N 3.39Å; Q182-R184 PolarHBondContact O-N 3.5Å; Q182-R184 VanDerWaalsContact O-N 3.11Å | ||
| 183 | P | 40.1 | Very low | 54.1 | Low | 126 Ų | 126 | 117.9 Ų | 117.9 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | trans | -58.7 | 118.9 | 148.9 | 19.5 | -12.8 | 0 | 0 | 0 | 104.5 | G185 | P183-G185 PolarHBondContact O-N 2.72Š| ||
| 184 | R | 41.3 | Very low | 51.6 | Low | 233 Ų | 233 | 127.3 Ų | 127.3 | 88% | 0.879 | 69% | 0.687 | S | S | * | * | trans | -58.9 | 94.3 | 162.1 | -76.7 | -175.1 | -176.8 | 175.2 | 1.5 | 105.2 | Q182 V186 | Q182-R184 PolarHBondContact O-N 3.5Å; Q182-R184 VanDerWaalsContact O-N 3.11Å; R184-V186 PolarHBondContact O-N 2.9Å | ||
| 185 | G | 41.7 | Very low | 49.2 | Very low | 63 Ų | 63 | 125.6 Ų | 125.6 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | trans | -55 | 109.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | P183 Q187 | P183-G185 PolarHBondContact O-N 2.72Å; G185-Q187 VanDerWaalsContact C-N 3.26Å; G185-Q187 PolarHBondContact O-N 2.93Å | ||
| 186 | V | 51.8 | Low | 47 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | -62.8 | 100.6 | 166.8 | 178.5 | 0 | 0 | 0 | 0 | 104.5 | R184 L188 | R184-V186 PolarHBondContact O-N 2.9Å; V186-L188 HydrophobicContact CG1-CG 4.41Å; V186-L188 PolarHBondContact O-N 3.03Å | ||
| 187 | Q | 48 | Very low | 44.7 | Very low | 189 Ų | 189 | 132.9 Ų | 132.9 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -65.1 | 93.8 | 163.8 | -89.5 | 175.6 | -16.3 | 0 | 0 | 106.2 | G185 G189 | G185-Q187 VanDerWaalsContact C-N 3.26Å; G185-Q187 PolarHBondContact O-N 2.93Å; Q187-G189 VanDerWaalsContact C-N 3.28Å; Q187-G189 PolarHBondContact O-N 2.9Å | ||
| 188 | L | 46.3 | Very low | 42.7 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -62.9 | 101.1 | 155.8 | -75.1 | 162.9 | 0 | 0 | 0 | 105.1 | V186 D190 | V186-L188 HydrophobicContact CG1-CG 4.41Å; V186-L188 PolarHBondContact O-N 3.03Å; L188-D190 PolarHBondContact O-N 3.27Å; L188-D190 VanDerWaalsContact O-N 3.11Å | ||
| 189 | G | 39.1 | Very low | 40.7 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -61.7 | 112.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q187 Q191 | Q187-G189 VanDerWaalsContact C-N 3.28Å; Q187-G189 PolarHBondContact O-N 2.9Å; G189-Q191 VanDerWaalsContact C-N 3.32Å; G189-Q191 PolarHBondContact O-N 2.96Å | ||
| 190 | D | 43.8 | Very low | 39.6 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -60.1 | 98.5 | 160 | -86.8 | -29.2 | 0 | 0 | 0 | 107.6 | L188 E192 | L188-D190 PolarHBondContact O-N 3.27Å; L188-D190 VanDerWaalsContact O-N 3.11Å; D190-E192 VanDerWaalsContact C-N 3.26Å; D190-E192 PolarHBondContact O-N 3.11Å | ||
| 191 | Q | 39.9 | Very low | 39 | Very low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -83.5 | 82.4 | 155.2 | -83.8 | -167.1 | -11.4 | 0 | 0 | 108.1 | G189 Q193 | G189-Q191 VanDerWaalsContact C-N 3.32Å; G189-Q191 PolarHBondContact O-N 2.96Å; Q191-Q193 PolarHBondContact O-N 3.16Å; Q191-Q193 VanDerWaalsContact O-N 3.16Å | ||
| 192 | E | 38 | Very low | 38.8 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 71% | 0.71 | 81% | 0.814 | S | S | * | * | trans | -64.6 | 102 | 150.2 | -109.8 | -171.6 | 126.2 | 0 | 0 | 108 | D190 | D190-E192 VanDerWaalsContact C-N 3.26Å; D190-E192 PolarHBondContact O-N 3.11Å | ||
| 193 | Q | 39.2 | Very low | 38.7 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -117.5 | 93.8 | 153.5 | -92.3 | -173.4 | -3.5 | 0 | 0 | 109.2 | Q191 G195 | Q191-Q193 PolarHBondContact O-N 3.16Å; Q191-Q193 VanDerWaalsContact O-N 3.16Å; Q193-G195 PolarHBondContact O-N 3.47Å | ||
| 194 | R | 35.6 | Very low | 38.6 | Very low | 228 Ų | 228 | 134.9 Ų | 134.9 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -73 | 114.7 | 158.9 | -78.5 | 179.1 | 171 | -175.5 | -1.2 | 109.4 | ||||
| 195 | G | 31.6 | Very low | 38.4 | Very low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 92.1 | 114.7 | 130.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | Q193 | Q193-G195 PolarHBondContact O-N 3.47Š| ||
| 196 | A | 34.3 | Very low | 38.3 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 87% | 0.868 | 84% | 0.841 | S | S | * | * | -177.9 | 119.8 | 113.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 197 | G | 32.9 | Very low | 37.7 | Very low | 88 Ų | 88 | 139.2 Ų | 139.2 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | trans | 56.8 | 118.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 198 | G | 33.4 | Very low | 37.1 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 86% | 0.856 | 84% | 0.843 | S | S | * | * | trans | 174 | 112 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 199 | C | 33.3 | Very low | 36.6 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 93% | 0.926 | 85% | 0.846 | S | S | * | * | trans | -71.5 | 158.9 | -176.3 | -75.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 200 | G | 33.6 | Very low | 36.5 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | trans | 88.6 | 129.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 201 | G | 34.5 | Very low | 36 | Very low | 61 Ų | 61 | 138.4 Ų | 138.4 | 63% | 0.629 | 85% | 0.854 | S | S | * | * | cis | 150.4 | 148.1 | 16.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 202 | Y | 39.1 | Very low | 35.8 | Very low | 238 Ų | 238 | 135.6 Ų | 135.6 | 93% | 0.933 | 85% | 0.854 | S | S | * | * | trans | 94.3 | 106.3 | 166.4 | -58 | -80.1 | 0 | 0 | 0 | 120 | ||||
| 203 | C | 34.7 | Very low | 35.6 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 78% | 0.784 | 86% | 0.864 | S | S | * | * | trans | -59.5 | 140.9 | 151.9 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 204 | S | 38.1 | Very low | 35.3 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 87% | 0.866 | S | S | * | * | -172.8 | 128.1 | 126.6 | 48 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 205 | V | 37.5 | Very low | 35.3 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 79% | 0.794 | 87% | 0.867 | S | S | * | * | trans | -62.8 | 135.8 | 162 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 206 | L | 40.5 | Very low | 35.6 | Very low | 241 Ų | 241 | 127.3 Ų | 127.3 | 100% | 1.262 | 88% | 0.876 | S | S | * | * | trans | -165.3 | 0 | 135.4 | -99.4 | 167.5 | 0 | 0 | 0 | 108.9 |
Retrieved 206 of 206 residues in 644.9 ms
(Link to these results)