| 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 | 49.3 | Very low | 60.1 | Low | 245 Ų | 245 | 116 Ų | 116 | 100% | 1.207 | 67% | 0.671 | S | S | * | * | 0 | 110.9 | 0 | -75.2 | 168.8 | 167.8 | 0 | 0 | 107.8 | A3 | M1-A3 PolarHBondContact O-N 3.47Š| |||
| 2 | N | 50.4 | Low | 61.3 | Low | 110 Ų | 110 | 118.4 Ų | 118.4 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | trans | -76.8 | 102.5 | -173.5 | -175 | 9.1 | 0 | 0 | 0 | 109.6 | N4 V5 | N2-N4 PolarHBondContact O-N 2.87Å; N2-N4 WeakPolarHBondContact OD1-CB 3.34Å; N2-N4 PolarHBondContact OD1-N 2.92Å; N2-V5 HydrophobicContact CB-CG2 4.25Å; N2-V5 WeakPolarHBondContact O-CG2 3.29Å; N2-V5 PolarHBondContact O-N 3.34Å | ||
| 3 | A | 57.6 | Low | 62.4 | Low | 89 Ų | 89 | 113.4 Ų | 113.4 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -62.5 | -11.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 | M1-A3 PolarHBondContact O-N 3.47Š|
| 4 | N | 56 | Low | 63.5 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 65% | 0.647 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -78.7 | -18.9 | -178.6 | -161.1 | 17.4 | 0 | 0 | 0 | 114.2 | N2 N6 | N2-N4 PolarHBondContact O-N 2.87Å; N2-N4 WeakPolarHBondContact OD1-CB 3.34Å; N2-N4 PolarHBondContact OD1-N 2.92Å; N4-N6 VanDerWaalsContact C-N 3.27Å; N4-N6 PolarHBondContact O-N 3.07Å |
| 5 | V | 52.6 | Low | 64.6 | Low | 116 Ų | 116 | 114.1 Ų | 114.1 | 70% | 0.703 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -74.6 | -15 | 177.9 | -91.9 | 0 | 0 | 0 | 0 | 113.7 | N2 | N2-V5 HydrophobicContact CB-CG2 4.25Å; N2-V5 WeakPolarHBondContact O-CG2 3.29Å; N2-V5 PolarHBondContact O-N 3.34Å |
| 6 | N | 60.2 | Low | 65.8 | Low | 149 Ų | 149 | 111.4 Ų | 111.4 | 80% | 0.797 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -105.5 | 3.1 | 177.4 | -71.7 | -25 | 0 | 0 | 0 | 113.6 | N4 M8 | N4-N6 VanDerWaalsContact C-N 3.27Å; N4-N6 PolarHBondContact O-N 3.07Å; N6-M8 VanDerWaalsContact C-N 3.29Å; N6-M8 PolarHBondContact O-N 3.43Å |
| 7 | A | 59.7 | Low | 67.1 | Low | 61 Ų | 61 | 106.8 Ų | 106.8 | 50% | 0.504 | 61% | 0.606 | S | S | . | * | trans | -78.7 | 82.6 | 174 | 0 | 0 | 0 | 0 | 0 | 108.8 | P9 | A7-P9 WeakPolarHBondContact O-CD 3.42Å; A7-P9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | M | 63.1 | Low | 68.3 | Low | 127 Ų | 127 | 106.9 Ų | 106.9 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | trans | -52.7 | 122.8 | 166.1 | -170 | 143.2 | 170.7 | 0 | 0 | 107.1 | N6 N10 Y12 | N6-M8 VanDerWaalsContact C-N 3.29Å; N6-M8 PolarHBondContact O-N 3.43Å; M8-N10 PolarHBondContact O-N 3.26Å; M8-Y12 HydrophobicContact CE-CG 4.38Å | ||
| 9 | P | 67.1 | Low | 69.6 | Low | 68 Ų | 68 | 105.6 Ų | 105.6 | 44% | 0.442 | 60% | 0.597 | S | S | . | * | trans | -56.6 | 134.2 | -173.5 | -20.1 | 26.8 | 0 | 0 | 0 | 108.6 | A7 S11 Y12 A13 | A7-P9 WeakPolarHBondContact O-CD 3.42Å; A7-P9 VanDerWaalsContact O-N 3.14Å; P9-S11 CarbonylContact O-C 3.56Å; P9-S11 PolarHBondContact O-N 2.93Å; P9-Y12 HydrophobicContact CB-CD2 3.79Å; P9-Y12 HydrophobicContact CB-CE2 4.32Å; P9-Y12 HydrophobicContact CG-CD2 3.54Å; P9-Y12 HydrophobicContact CG-CE2 3.8Å; P9-Y12 PolarHBondContact O-N 3.11Å; P9-A13 PolarHBondContact O-N 2.89Å | ||
| 10 | N | 71.8 | Confident | 70.7 | Confident | 120 Ų | 120 | 105.1 Ų | 105.1 | 64% | 0.642 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -49.8 | -27.7 | -177 | -174 | 32.3 | 0 | 0 | 0 | 112.5 | M8 R14 | M8-N10 PolarHBondContact O-N 3.26Å; N10-R14 WeakPolarHBondContact O-CB 3.34Å; N10-R14 WeakPolarHBondContact O-CG 3.39Å; N10-R14 PolarHBondContact O-N 3.39Å |
| 11 | S | 72.8 | Confident | 71.8 | Confident | 70 Ų | 70 | 105.4 Ų | 105.4 | 49% | 0.49 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.5 | -48 | 170.6 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | P9 R14 T15 | P9-S11 CarbonylContact O-C 3.56Å; P9-S11 PolarHBondContact O-N 2.93Å; S11-R14 PolarHBondContact O-N 3.34Å; S11-T15 WeakPolarHBondContact O-CB 3.31Å; S11-T15 PolarHBondContact O-N 3.26Å; S11-T15 PolarHBondContact O-OG1 3.32Å |
| 12 | Y | 74.9 | Confident | 74 | Confident | 145 Ų | 145 | 98.9 Ų | 98.9 | 57% | 0.569 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -40.5 | 178.5 | -74.1 | -85.7 | 0 | 0 | 0 | 112.2 | M8 P9 R14 T15 S16 | M8-Y12 HydrophobicContact CE-CG 4.38Å; P9-Y12 HydrophobicContact CB-CD2 3.79Å; P9-Y12 HydrophobicContact CB-CE2 4.32Å; P9-Y12 HydrophobicContact CG-CD2 3.54Å; P9-Y12 HydrophobicContact CG-CE2 3.8Å; P9-Y12 PolarHBondContact O-N 3.11Å; Y12-R14 VanDerWaalsContact C-N 3.34Å; Y12-R14 PolarHBondContact O-N 2.91Å; Y12-T15 PolarHBondContact O-N 2.88Å; Y12-S16 VanDerWaalsContact O-CB 3.3Å; Y12-S16 WeakPolarHBondContact O-CB 3.31Å; Y12-S16 PolarHBondContact O-N 3.49Å |
| 13 | A | 75.2 | Confident | 76.2 | Confident | 53 Ų | 53 | 98.5 Ų | 98.5 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | P9 S16 G17 | P9-A13 PolarHBondContact O-N 2.89Å; A13-S16 PolarHBondContact O-N 2.87Å; A13-G17 PolarHBondContact O-N 2.88Å |
| 14 | R | 78.4 | Confident | 78 | Confident | 156 Ų | 156 | 101.7 Ų | 101.7 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.9 | -46.1 | 175.5 | -71.3 | 176.9 | 74.5 | -167.4 | 3.2 | 112.3 | N10 S11 Y12 S16 G17 M18 | N10-R14 WeakPolarHBondContact O-CB 3.34Å; N10-R14 WeakPolarHBondContact O-CG 3.39Å; N10-R14 PolarHBondContact O-N 3.39Å; S11-R14 PolarHBondContact O-N 3.34Å; Y12-R14 VanDerWaalsContact C-N 3.34Å; Y12-R14 PolarHBondContact O-N 2.91Å; R14-S16 VanDerWaalsContact C-N 3.35Å; R14-S16 PolarHBondContact O-N 2.58Å; R14-G17 PolarHBondContact O-N 3.02Å; R14-M18 WeakPolarHBondContact O-CG 3.23Å; R14-M18 PolarHBondContact O-N 3.48Å |
| 15 | T | 80.7 | Confident | 79.8 | Confident | 81 Ų | 81 | 99.9 Ų | 99.9 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 176.9 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | S11 Y12 G17 M18 T19 | S11-T15 WeakPolarHBondContact O-CB 3.31Å; S11-T15 PolarHBondContact O-N 3.26Å; S11-T15 PolarHBondContact O-OG1 3.32Å; Y12-T15 PolarHBondContact O-N 2.88Å; T15-G17 VanDerWaalsContact C-N 3.34Å; T15-G17 PolarHBondContact O-N 2.69Å; T15-M18 PolarHBondContact O-N 3.49Å; T15-T19 PolarHBondContact O-N 3.29Å; T15-T19 PolarHBondContact O-OG1 2.93Å |
| 16 | S | 83 | Confident | 81.8 | Confident | 71 Ų | 71 | 97.8 Ų | 97.8 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 177.6 | -171 | 0 | 0 | 0 | 0 | 112 | Y12 A13 R14 T19 E20 | Y12-S16 VanDerWaalsContact O-CB 3.3Å; Y12-S16 WeakPolarHBondContact O-CB 3.31Å; Y12-S16 PolarHBondContact O-N 3.49Å; A13-S16 PolarHBondContact O-N 2.87Å; R14-S16 VanDerWaalsContact C-N 3.35Å; R14-S16 PolarHBondContact O-N 2.58Å; S16-T19 PolarHBondContact O-N 3.45Å; S16-E20 WeakPolarHBondContact O-CB 3.12Å; S16-E20 PolarHBondContact O-N 3.16Å |
| 17 | G | 87.7 | Confident | 83.5 | Confident | 33 Ų | 33 | 94.5 Ų | 94.5 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A13 R14 T15 E20 L21 | A13-G17 PolarHBondContact O-N 2.88Å; R14-G17 PolarHBondContact O-N 3.02Å; T15-G17 VanDerWaalsContact C-N 3.34Å; T15-G17 PolarHBondContact O-N 2.69Å; G17-E20 PolarHBondContact O-N 3.46Å; G17-L21 WeakPolarHBondContact O-CG 3.36Å; G17-L21 PolarHBondContact O-N 3.31Å |
| 18 | M | 89.8 | Confident | 85.1 | Confident | 110 Ų | 110 | 99.8 Ų | 99.8 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 174.7 | -72.1 | 179.9 | 175 | 0 | 0 | 111.8 | R14 T15 E20 L21 I22 | R14-M18 WeakPolarHBondContact O-CG 3.23Å; R14-M18 PolarHBondContact O-N 3.48Å; T15-M18 PolarHBondContact O-N 3.49Å; M18-E20 VanDerWaalsContact C-N 3.33Å; M18-E20 PolarHBondContact O-N 3.04Å; M18-L21 PolarHBondContact O-N 2.92Å; M18-I22 VanDerWaalsContact O-CG1 3.3Å; M18-I22 WeakPolarHBondContact O-CG1 3.24Å; M18-I22 PolarHBondContact O-N 3.11Å |
| 19 | T | 91.4 | Very high | 86.6 | Confident | 81 Ų | 81 | 97.2 Ų | 97.2 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | T15 S16 I22 L23 | T15-T19 PolarHBondContact O-N 3.29Å; T15-T19 PolarHBondContact O-OG1 2.93Å; S16-T19 PolarHBondContact O-N 3.45Å; T19-I22 PolarHBondContact O-N 2.96Å; T19-L23 WeakPolarHBondContact O-CB 3.28Å; T19-L23 PolarHBondContact O-N 3.36Å |
| 20 | E | 93.1 | Very high | 88 | Confident | 95 Ų | 95 | 99.3 Ų | 99.3 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 175.6 | -170.7 | -176 | 126.4 | 0 | 0 | 111.7 | S16 G17 M18 I22 L23 R24 | S16-E20 WeakPolarHBondContact O-CB 3.12Å; S16-E20 PolarHBondContact O-N 3.16Å; G17-E20 PolarHBondContact O-N 3.46Å; M18-E20 VanDerWaalsContact C-N 3.33Å; M18-E20 PolarHBondContact O-N 3.04Å; E20-I22 PolarHBondContact O-N 3.47Å; E20-L23 PolarHBondContact O-N 3.25Å; E20-R24 WeakPolarHBondContact O-CB 3.14Å; E20-R24 WeakPolarHBondContact O-CG 3.44Å; E20-R24 PolarHBondContact O-N 3.47Å; E20-R24 IonicContact OE1-CZ 3.25Å; E20-R24 VanDerWaalsContact OE1-CZ 3.25Å; E20-R24 IonicContact OE1-NE 2.84Å; E20-R24 PolarHBondContact OE1-NE 2.91Å; E20-R24 IonicContact OE1-NH2 2.78Å; E20-R24 PolarHBondContact OE1-NH2 3.49Å |
| 21 | L | 94 | Very high | 89 | Confident | 113 Ų | 113 | 102.4 Ų | 102.4 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.7 | -43.1 | 177 | -73.6 | 170.4 | 0 | 0 | 0 | 112.2 | G17 M18 R24 T25 | G17-L21 WeakPolarHBondContact O-CG 3.36Å; G17-L21 PolarHBondContact O-N 3.31Å; M18-L21 PolarHBondContact O-N 2.92Å; L21-R24 PolarHBondContact O-N 2.9Å; L21-T25 WeakPolarHBondContact O-CB 3.46Å; L21-T25 PolarHBondContact O-N 3.02Å; L21-T25 PolarHBondContact O-OG1 3.44Å |
| 22 | I | 94.8 | Very high | 90 | Very high | 107 Ų | 107 | 102.1 Ų | 102.1 | 55% | 0.549 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 175.2 | -67.9 | 164.7 | 0 | 0 | 0 | 109.8 | M18 T19 E20 R24 T25 V26 | M18-I22 VanDerWaalsContact O-CG1 3.3Å; M18-I22 WeakPolarHBondContact O-CG1 3.24Å; M18-I22 PolarHBondContact O-N 3.11Å; T19-I22 PolarHBondContact O-N 2.96Å; E20-I22 PolarHBondContact O-N 3.47Å; I22-R24 PolarHBondContact O-N 3.24Å; I22-T25 WeakPolarHBondContact O-CB 3.44Å; I22-T25 PolarHBondContact O-N 3.17Å; I22-T25 VanDerWaalsContact O-N 3.15Å; I22-V26 HydrophobicContact CG2-CG2 4.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.46Å; I22-V26 PolarHBondContact O-N 3.21Å |
| 23 | L | 95.6 | Very high | 90.8 | Very high | 102 Ų | 102 | 98.3 Ų | 98.3 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | -179.8 | -176.5 | 63.3 | 0 | 0 | 0 | 111.8 | T19 E20 T25 V26 I27 | T19-L23 WeakPolarHBondContact O-CB 3.28Å; T19-L23 PolarHBondContact O-N 3.36Å; E20-L23 PolarHBondContact O-N 3.25Å; L23-T25 VanDerWaalsContact C-N 3.3Å; L23-T25 PolarHBondContact O-N 2.99Å; L23-V26 PolarHBondContact O-N 3.37Å; L23-I27 HydrophobicContact CD1-CD1 4.2Å; L23-I27 HydrophobicContact CD1-CG1 4.49Å; L23-I27 HydrophobicContact CG-CD1 3.98Å; L23-I27 VanDerWaalsContact O-CG1 3.29Å; L23-I27 WeakPolarHBondContact O-CG1 3.39Å; L23-I27 PolarHBondContact O-N 2.94Å |
| 24 | R | 95.7 | Very high | 91.7 | Very high | 157 Ų | 157 | 101.2 Ų | 101.2 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.1 | -42.5 | 174.9 | -73.6 | 175.5 | -177.4 | -85.7 | 1.2 | 111.6 | E20 L21 I22 I27 W28 | E20-R24 WeakPolarHBondContact O-CB 3.14Å; E20-R24 WeakPolarHBondContact O-CG 3.44Å; E20-R24 PolarHBondContact O-N 3.47Å; E20-R24 IonicContact OE1-CZ 3.25Å; E20-R24 VanDerWaalsContact OE1-CZ 3.25Å; E20-R24 IonicContact OE1-NE 2.84Å; E20-R24 PolarHBondContact OE1-NE 2.91Å; E20-R24 IonicContact OE1-NH2 2.78Å; E20-R24 PolarHBondContact OE1-NH2 3.49Å; L21-R24 PolarHBondContact O-N 2.9Å; I22-R24 PolarHBondContact O-N 3.24Å; R24-I27 PolarHBondContact O-N 2.89Å; R24-W28 WeakPolarHBondContact O-CB 3.29Å; R24-W28 PolarHBondContact O-N 3.45Å |
| 25 | T | 94.6 | Very high | 92.3 | Very high | 83 Ų | 83 | 97.3 Ų | 97.3 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 178.3 | -56 | 0 | 0 | 0 | 0 | 111.3 | L21 I22 L23 I27 W28 V29 | L21-T25 WeakPolarHBondContact O-CB 3.46Å; L21-T25 PolarHBondContact O-N 3.02Å; L21-T25 PolarHBondContact O-OG1 3.44Å; I22-T25 WeakPolarHBondContact O-CB 3.44Å; I22-T25 PolarHBondContact O-N 3.17Å; I22-T25 VanDerWaalsContact O-N 3.15Å; L23-T25 VanDerWaalsContact C-N 3.3Å; L23-T25 PolarHBondContact O-N 2.99Å; T25-I27 PolarHBondContact O-N 3.34Å; T25-W28 PolarHBondContact O-N 2.91Å; T25-V29 WeakPolarHBondContact O-CG2 3.4Å; T25-V29 PolarHBondContact O-N 3.38Å |
| 26 | V | 94.9 | Very high | 92.7 | Very high | 71 Ų | 71 | 98.5 Ų | 98.5 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 178.4 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | I22 L23 W28 V29 M30 | I22-V26 HydrophobicContact CG2-CG2 4.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.46Å; I22-V26 PolarHBondContact O-N 3.21Å; L23-V26 PolarHBondContact O-N 3.37Å; V26-W28 VanDerWaalsContact C-N 3.32Å; V26-W28 PolarHBondContact O-N 3.48Å; V26-V29 PolarHBondContact O-N 2.94Å; V26-M30 HydrophobicContact CG1-CE 4.06Å; V26-M30 WeakPolarHBondContact O-CG 3.44Å; V26-M30 PolarHBondContact O-N 3.49Å |
| 27 | I | 94.9 | Very high | 93.1 | Very high | 80 Ų | 80 | 99.8 Ų | 99.8 | 41% | 0.41 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 176.1 | -68.8 | 167.6 | 0 | 0 | 0 | 110.9 | L23 R24 T25 M30 R31 | L23-I27 HydrophobicContact CD1-CD1 4.2Å; L23-I27 HydrophobicContact CD1-CG1 4.49Å; L23-I27 HydrophobicContact CG-CD1 3.98Å; L23-I27 VanDerWaalsContact O-CG1 3.29Å; L23-I27 WeakPolarHBondContact O-CG1 3.39Å; L23-I27 PolarHBondContact O-N 2.94Å; R24-I27 PolarHBondContact O-N 2.89Å; T25-I27 PolarHBondContact O-N 3.34Å; I27-M30 HydrophobicContact CG1-CE 4.24Å; I27-M30 PolarHBondContact O-N 2.94Å; I27-R31 WeakPolarHBondContact O-CG 3.36Å; I27-R31 PolarHBondContact O-N 3.08Å |
| 28 | W | 94.8 | Very high | 93.2 | Very high | 172 Ų | 172 | 101.8 Ų | 101.8 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -45.2 | 178.8 | -169.3 | 81.4 | 0 | 0 | 0 | 112.1 | R24 T25 V26 M30 R31 I32 | R24-W28 WeakPolarHBondContact O-CB 3.29Å; R24-W28 PolarHBondContact O-N 3.45Å; T25-W28 PolarHBondContact O-N 2.91Å; V26-W28 VanDerWaalsContact C-N 3.32Å; V26-W28 PolarHBondContact O-N 3.48Å; W28-M30 PolarHBondContact O-N 3.26Å; W28-R31 PolarHBondContact O-N 3.2Å; W28-I32 HydrophobicContact CD2-CD1 3.63Å; W28-I32 HydrophobicContact CE3-CD1 3.42Å; W28-I32 VanDerWaalsContact CE3-CD1 3.42Å; W28-I32 HydrophobicContact CH2-CD1 3.27Å; W28-I32 HydrophobicContact CZ2-CD1 3.48Å; W28-I32 VanDerWaalsContact CZ2-CD1 3.48Å; W28-I32 HydrophobicContact CZ3-CD1 3.23Å; W28-I32 WeakPolarHBondContact O-CG1 3.33Å; W28-I32 PolarHBondContact O-N 3.01Å; W28-I32 VanDerWaalsContact O-N 3.08Å |
| 29 | V | 94.5 | Very high | 93 | Very high | 73 Ų | 73 | 101.8 Ų | 101.8 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | T25 V26 R31 I32 S33 | T25-V29 WeakPolarHBondContact O-CG2 3.4Å; T25-V29 PolarHBondContact O-N 3.38Å; V26-V29 PolarHBondContact O-N 2.94Å; V29-R31 VanDerWaalsContact C-N 3.31Å; V29-R31 PolarHBondContact O-N 3.43Å; V29-I32 PolarHBondContact O-N 2.98Å; V29-S33 PolarHBondContact O-N 2.94Å; V29-S33 PolarHBondContact O-OG 3.36Å |
| 30 | M | 94.7 | Very high | 92.6 | Very high | 113 Ų | 113 | 103.5 Ų | 103.5 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.9 | -40.7 | 177 | -74.1 | -167.7 | -64.2 | 0 | 0 | 112.4 | V26 I27 W28 S33 H34 | V26-M30 HydrophobicContact CG1-CE 4.06Å; V26-M30 WeakPolarHBondContact O-CG 3.44Å; V26-M30 PolarHBondContact O-N 3.49Å; I27-M30 HydrophobicContact CG1-CE 4.24Å; I27-M30 PolarHBondContact O-N 2.94Å; W28-M30 PolarHBondContact O-N 3.26Å; M30-S33 PolarHBondContact O-N 3.47Å; M30-H34 WeakPolarHBondContact O-CB 3.34Å; M30-H34 PolarHBondContact O-N 2.96Å |
| 31 | R | 94.2 | Very high | 92.1 | Very high | 184 Ų | 184 | 103.5 Ų | 103.5 | 69% | 0.694 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 176.7 | -71.6 | -178.3 | 107.6 | -177.5 | 5.3 | 111.8 | I27 W28 V29 H34 T35 | I27-R31 WeakPolarHBondContact O-CG 3.36Å; I27-R31 PolarHBondContact O-N 3.08Å; W28-R31 PolarHBondContact O-N 3.2Å; V29-R31 VanDerWaalsContact C-N 3.31Å; V29-R31 PolarHBondContact O-N 3.43Å; R31-H34 PolarHBondContact O-N 2.93Å; R31-T35 PolarHBondContact O-N 2.88Å; R31-T35 PolarHBondContact O-OG1 3.42Å |
| 32 | I | 93.8 | Very high | 91.5 | Very high | 64 Ų | 64 | 102.1 Ų | 102.1 | 33% | 0.328 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 177.5 | -69.5 | 172 | 0 | 0 | 0 | 110.9 | W28 V29 H34 T35 I36 | W28-I32 HydrophobicContact CD2-CD1 3.63Å; W28-I32 HydrophobicContact CE3-CD1 3.42Å; W28-I32 VanDerWaalsContact CE3-CD1 3.42Å; W28-I32 HydrophobicContact CH2-CD1 3.27Å; W28-I32 HydrophobicContact CZ2-CD1 3.48Å; W28-I32 VanDerWaalsContact CZ2-CD1 3.48Å; W28-I32 HydrophobicContact CZ3-CD1 3.23Å; W28-I32 WeakPolarHBondContact O-CG1 3.33Å; W28-I32 PolarHBondContact O-N 3.01Å; W28-I32 VanDerWaalsContact O-N 3.08Å; V29-I32 PolarHBondContact O-N 2.98Å; I32-H34 VanDerWaalsContact C-N 3.27Å; I32-H34 PolarHBondContact O-N 2.78Å; I32-T35 PolarHBondContact O-N 2.99Å; I32-T35 VanDerWaalsContact O-N 3.17Å; I32-I36 HydrophobicContact CG2-CD1 3.7Å; I32-I36 HydrophobicContact CG2-CG1 4.35Å; I32-I36 WeakPolarHBondContact O-CG1 3.35Å; I32-I36 PolarHBondContact O-N 3.38Å |
| 33 | S | 91.8 | Very high | 90.8 | Very high | 66 Ų | 66 | 101.3 Ų | 101.3 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 178.4 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | V29 M30 I36 L37 | V29-S33 PolarHBondContact O-N 2.94Å; V29-S33 PolarHBondContact O-OG 3.36Å; M30-S33 PolarHBondContact O-N 3.47Å; S33-I36 PolarHBondContact O-N 3.22Å; S33-L37 WeakPolarHBondContact O-CB 3.38Å; S33-L37 PolarHBondContact O-N 3.17Å |
| 34 | H | 92.3 | Very high | 89.9 | Confident | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 176.3 | -171.6 | -170.3 | 0 | 0 | 0 | 112 | M30 R31 I32 I36 L37 I38 | M30-H34 WeakPolarHBondContact O-CB 3.34Å; M30-H34 PolarHBondContact O-N 2.96Å; R31-H34 PolarHBondContact O-N 2.93Å; I32-H34 VanDerWaalsContact C-N 3.27Å; I32-H34 PolarHBondContact O-N 2.78Å; H34-I36 PolarHBondContact O-N 2.84Å; H34-L37 PolarHBondContact O-N 3.49Å; H34-I38 WeakPolarHBondContact NE2-CD1 3.29Å; H34-I38 WeakPolarHBondContact O-CG1 3.41Å; H34-I38 PolarHBondContact O-N 3.28Å |
| 35 | T | 91.9 | Very high | 88.9 | Confident | 73 Ų | 73 | 98 Ų | 98 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | R31 I32 L37 I38 H39 | R31-T35 PolarHBondContact O-N 2.88Å; R31-T35 PolarHBondContact O-OG1 3.42Å; I32-T35 PolarHBondContact O-N 2.99Å; I32-T35 VanDerWaalsContact O-N 3.17Å; T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 3.15Å; T35-I38 PolarHBondContact O-N 3.44Å; T35-H39 WeakPolarHBondContact O-CB 3.38Å; T35-H39 PolarHBondContact O-CD2 3.29Å; T35-H39 PolarHBondContact O-N 2.89Å |
| 36 | I | 89.8 | Confident | 87.8 | Confident | 106 Ų | 106 | 99.8 Ų | 99.8 | 54% | 0.544 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.4 | -67.6 | 168.4 | 0 | 0 | 0 | 110.3 | I32 S33 H34 H39 Y40 | I32-I36 HydrophobicContact CG2-CD1 3.7Å; I32-I36 HydrophobicContact CG2-CG1 4.35Å; I32-I36 WeakPolarHBondContact O-CG1 3.35Å; I32-I36 PolarHBondContact O-N 3.38Å; S33-I36 PolarHBondContact O-N 3.22Å; H34-I36 PolarHBondContact O-N 2.84Å; I36-H39 PolarHBondContact O-N 2.88Å; I36-Y40 WeakPolarHBondContact O-CB 3.33Å; I36-Y40 PolarHBondContact O-N 3.38Å |
| 37 | L | 91.2 | Very high | 86.3 | Confident | 98 Ų | 98 | 97 Ų | 97 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 178.2 | -176.4 | 65.9 | 0 | 0 | 0 | 111.6 | S33 H34 T35 H39 Y40 Q41 | S33-L37 WeakPolarHBondContact O-CB 3.38Å; S33-L37 PolarHBondContact O-N 3.17Å; H34-L37 PolarHBondContact O-N 3.49Å; T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 3.15Å; L37-H39 PolarHBondContact O-N 3.03Å; L37-Y40 PolarHBondContact O-N 3.49Å; L37-Q41 VanDerWaalsContact O-CG 3.29Å; L37-Q41 WeakPolarHBondContact O-CG 3.5Å; L37-Q41 PolarHBondContact O-N 3.47Å |
| 38 | I | 89 | Confident | 84.7 | Confident | 75 Ų | 75 | 97 Ų | 97 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 175.9 | -70.3 | 166.8 | 0 | 0 | 0 | 110.4 | H34 T35 Y40 Q41 I42 | H34-I38 WeakPolarHBondContact NE2-CD1 3.29Å; H34-I38 WeakPolarHBondContact O-CG1 3.41Å; H34-I38 PolarHBondContact O-N 3.28Å; T35-I38 PolarHBondContact O-N 3.44Å; I38-Y40 VanDerWaalsContact C-N 3.28Å; I38-Y40 PolarHBondContact O-N 3.47Å; I38-Q41 PolarHBondContact O-N 3.33Å; I38-I42 HydrophobicContact CG2-CD1 3.64Å; I38-I42 HydrophobicContact CG2-CG1 4.26Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.43Å; I38-I42 PolarHBondContact O-N 2.77Å |
| 39 | H | 86.6 | Confident | 82.9 | Confident | 111 Ų | 111 | 90.1 Ų | 90.1 | 51% | 0.514 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 177.6 | -84.1 | -150.5 | 0 | 0 | 0 | 111.7 | T35 I36 L37 I42 Q43 | T35-H39 WeakPolarHBondContact O-CB 3.38Å; T35-H39 PolarHBondContact O-CD2 3.29Å; T35-H39 PolarHBondContact O-N 2.89Å; I36-H39 PolarHBondContact O-N 2.88Å; L37-H39 PolarHBondContact O-N 3.03Å; H39-I42 PolarHBondContact O-N 3.4Å; H39-Q43 WeakPolarHBondContact O-CB 3.45Å; H39-Q43 VanDerWaalsContact O-CG 3.28Å; H39-Q43 WeakPolarHBondContact O-CG 3.38Å; H39-Q43 PolarHBondContact O-N 3.3Å |
| 40 | Y | 81.8 | Confident | 81.3 | Confident | 117 Ų | 117 | 92.9 Ų | 92.9 | 46% | 0.459 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 176.5 | -172.1 | -104.7 | 0 | 0 | 0 | 112.1 | I36 L37 I38 Q43 L44 | I36-Y40 WeakPolarHBondContact O-CB 3.33Å; I36-Y40 PolarHBondContact O-N 3.38Å; L37-Y40 PolarHBondContact O-N 3.49Å; I38-Y40 VanDerWaalsContact C-N 3.28Å; I38-Y40 PolarHBondContact O-N 3.47Å; Y40-Q43 PolarHBondContact O-N 3.02Å; Y40-L44 HydrophobicContact CD1-CD1 3.74Å; Y40-L44 HydrophobicContact CD1-CG 4.27Å; Y40-L44 HydrophobicContact CE1-CD1 3.41Å; Y40-L44 VanDerWaalsContact CE1-CD1 3.41Å; Y40-L44 HydrophobicContact CE1-CD2 4.48Å; Y40-L44 HydrophobicContact CE1-CG 3.99Å; Y40-L44 WeakPolarHBondContact O-CG 3.49Å; Y40-L44 PolarHBondContact O-N 3.42Å |
| 41 | Q | 82.6 | Confident | 79.8 | Confident | 95 Ų | 95 | 94.1 Ų | 94.1 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.7 | -69.9 | -68.3 | -24.2 | 0 | 0 | 112 | L37 I38 Q43 L44 I45 | L37-Q41 VanDerWaalsContact O-CG 3.29Å; L37-Q41 WeakPolarHBondContact O-CG 3.5Å; L37-Q41 PolarHBondContact O-N 3.47Å; I38-Q41 PolarHBondContact O-N 3.33Å; Q41-Q43 VanDerWaalsContact C-N 3.34Å; Q41-Q43 PolarHBondContact O-N 2.92Å; Q41-L44 PolarHBondContact O-N 3.49Å; Q41-I45 VanDerWaalsContact O-CG1 3.29Å; Q41-I45 WeakPolarHBondContact O-CG1 3.35Å; Q41-I45 PolarHBondContact O-N 2.84Å |
| 42 | I | 82.1 | Confident | 78.1 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 43% | 0.426 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.2 | -68 | 168.8 | 0 | 0 | 0 | 110.4 | I38 H39 L44 I45 N46 | I38-I42 HydrophobicContact CG2-CD1 3.64Å; I38-I42 HydrophobicContact CG2-CG1 4.26Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.43Å; I38-I42 PolarHBondContact O-N 2.77Å; H39-I42 PolarHBondContact O-N 3.4Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.48Å; I42-I45 PolarHBondContact O-N 3.21Å; I42-N46 WeakPolarHBondContact CG2-ND2 3.39Å; I42-N46 WeakPolarHBondContact O-CB 3.34Å; I42-N46 VanDerWaalsContact O-CG 3.26Å; I42-N46 PolarHBondContact O-N 2.85Å; I42-N46 PolarHBondContact O-ND2 3.39Å |
| 43 | Q | 80.2 | Confident | 76.6 | Confident | 91 Ų | 91 | 90.7 Ų | 90.7 | 43% | 0.425 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 175.8 | -76.3 | 178.3 | 39.3 | 0 | 0 | 111.3 | H39 Y40 Q41 N46 S47 | H39-Q43 WeakPolarHBondContact O-CB 3.45Å; H39-Q43 VanDerWaalsContact O-CG 3.28Å; H39-Q43 WeakPolarHBondContact O-CG 3.38Å; H39-Q43 PolarHBondContact O-N 3.3Å; Y40-Q43 PolarHBondContact O-N 3.02Å; Q41-Q43 VanDerWaalsContact C-N 3.34Å; Q41-Q43 PolarHBondContact O-N 2.92Å; Q43-N46 PolarHBondContact O-N 3.46Å; Q43-S47 VanDerWaalsContact O-CB 3.24Å; Q43-S47 WeakPolarHBondContact O-CB 3.48Å; Q43-S47 PolarHBondContact O-N 2.97Å; Q43-S47 PolarHBondContact O-OG 3.05Å |
| 44 | L | 76 | Confident | 75.1 | Confident | 72 Ų | 72 | 92.9 Ų | 92.9 | 38% | 0.377 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.8 | -76.1 | 174.8 | 0 | 0 | 0 | 112.4 | Y40 Q41 I42 S47 V48 | Y40-L44 HydrophobicContact CD1-CD1 3.74Å; Y40-L44 HydrophobicContact CD1-CG 4.27Å; Y40-L44 HydrophobicContact CE1-CD1 3.41Å; Y40-L44 VanDerWaalsContact CE1-CD1 3.41Å; Y40-L44 HydrophobicContact CE1-CD2 4.48Å; Y40-L44 HydrophobicContact CE1-CG 3.99Å; Y40-L44 WeakPolarHBondContact O-CG 3.49Å; Y40-L44 PolarHBondContact O-N 3.42Å; Q41-L44 PolarHBondContact O-N 3.49Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.48Å; L44-S47 VanDerWaalsContact O-CB 3.31Å; L44-S47 WeakPolarHBondContact O-CB 3.3Å; L44-S47 PolarHBondContact O-N 3.23Å; L44-S47 VanDerWaalsContact O-N 3.16Å; L44-V48 PolarHBondContact O-N 2.97Å |
| 45 | I | 74.3 | Confident | 73.6 | Confident | 116 Ų | 116 | 92.2 Ų | 92.2 | 60% | 0.595 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -46 | 177.6 | -67.3 | 164.2 | 0 | 0 | 0 | 110.4 | Q41 I42 S47 V48 | Q41-I45 VanDerWaalsContact O-CG1 3.29Å; Q41-I45 WeakPolarHBondContact O-CG1 3.35Å; Q41-I45 PolarHBondContact O-N 2.84Å; I42-I45 PolarHBondContact O-N 3.21Å; I45-S47 PolarHBondContact O-N 3.02Å; I45-V48 PolarHBondContact O-N 3.4Å; I45-V48 VanDerWaalsContact O-N 3.07Å |
| 46 | N | 72.1 | Confident | 71.9 | Confident | 121 Ų | 121 | 92.5 Ų | 92.5 | 65% | 0.647 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68 | -18.7 | 177.2 | -70.4 | -22.6 | 0 | 0 | 0 | 113.2 | I42 Q43 V48 | I42-N46 WeakPolarHBondContact CG2-ND2 3.39Å; I42-N46 WeakPolarHBondContact O-CB 3.34Å; I42-N46 VanDerWaalsContact O-CG 3.26Å; I42-N46 PolarHBondContact O-N 2.85Å; I42-N46 PolarHBondContact O-ND2 3.39Å; Q43-N46 PolarHBondContact O-N 3.46Å; N46-V48 VanDerWaalsContact C-N 3.27Å |
| 47 | S | 63.2 | Low | 70.3 | Confident | 12 Ų | 12 | 90.8 Ų | 90.8 | 8% | 0.084 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -8.2 | 174.6 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | Q43 L44 I45 V54 I55 P57 | Q43-S47 VanDerWaalsContact O-CB 3.24Å; Q43-S47 WeakPolarHBondContact O-CB 3.48Å; Q43-S47 PolarHBondContact O-N 2.97Å; Q43-S47 PolarHBondContact O-OG 3.05Å; L44-S47 VanDerWaalsContact O-CB 3.31Å; L44-S47 WeakPolarHBondContact O-CB 3.3Å; L44-S47 PolarHBondContact O-N 3.23Å; L44-S47 VanDerWaalsContact O-N 3.16Å; I45-S47 PolarHBondContact O-N 3.02Å; S47-V54 CarbonylContact O-C 3.55Å; S47-I55 WeakPolarHBondContact CB-O 3.3Å; S47-I55 CarbonylContact O-C 3.53Å; S47-I55 WeakPolarHBondContact O-CA 3.44Å; S47-I55 WeakPolarHBondContact O-CB 3.44Å; S47-I55 PolarHBondContact O-N 2.96Å; S47-I55 PolarHBondContact OG-O 3.38Å; S47-P57 VanDerWaalsContact OG-CD 3.23Å; S47-P57 WeakPolarHBondContact OG-CD 3.02Å; S47-P57 WeakPolarHBondContact OG-CG 3.12Å |
| 48 | V | 61 | Low | 68.8 | Low | 81 Ų | 81 | 93.2 Ų | 93.2 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | B | Isolated β-bridge | trans | -96.7 | 108.5 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | L44 I45 N46 | L44-V48 PolarHBondContact O-N 2.97Å; I45-V48 PolarHBondContact O-N 3.4Å; I45-V48 VanDerWaalsContact O-N 3.07Å; N46-V48 VanDerWaalsContact C-N 3.27Å |
| 49 | S | 58.6 | Low | 67.3 | Low | 27 Ų | 27 | 93.2 Ų | 93.2 | 19% | 0.189 | 52% | 0.515 | C | S | . | . | trans | -63.4 | 144.3 | 171 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | N51 G52 N53 | S49-N51 PolarHBondContact O-N 3.23Å; S49-G52 PolarHBondContact O-N 2.89Å; S49-N53 WeakPolarHBondContact CB-O 3.39Å; S49-N53 PolarHBondContact N-O 3.41Å | ||
| 50 | P | 60.4 | Low | 65.3 | Low | 131 Ų | 131 | 97.2 Ų | 97.2 | 85% | 0.851 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -16 | 174.7 | 21 | -32.6 | 0 | 0 | 0 | 113.9 | G52 | P50-G52 VanDerWaalsContact C-N 3.28Å; P50-G52 PolarHBondContact O-N 2.77Å |
| 51 | N | 62.7 | Low | 63.3 | Low | 140 Ų | 140 | 101.4 Ų | 101.4 | 75% | 0.749 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 8.7 | 174.6 | -63.6 | -8.4 | 0 | 0 | 0 | 113.8 | S49 N53 | S49-N51 PolarHBondContact O-N 3.23Å; N51-N53 VanDerWaalsContact C-N 3.26Å; N51-N53 PolarHBondContact O-N 3.4Å |
| 52 | G | 59 | Low | 61.3 | Low | 59 Ų | 59 | 108.7 Ų | 108.7 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 78.5 | 0.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | S49 P50 | S49-G52 PolarHBondContact O-N 2.89Å; P50-G52 VanDerWaalsContact C-N 3.28Å; P50-G52 PolarHBondContact O-N 2.77Å |
| 53 | N | 62.8 | Low | 60.3 | Low | 116 Ų | 116 | 110 Ų | 110 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | trans | -78.3 | 123.5 | 174 | -86.2 | 5.2 | 0 | 0 | 0 | 110.7 | S49 N51 I55 | S49-N53 WeakPolarHBondContact CB-O 3.39Å; S49-N53 PolarHBondContact N-O 3.41Å; N51-N53 VanDerWaalsContact C-N 3.26Å; N51-N53 PolarHBondContact O-N 3.4Å; N53-I55 PolarHBondContact O-N 2.85Å; N53-I55 VanDerWaalsContact O-N 3.11Å | ||
| 54 | V | 58.8 | Low | 59.2 | Low | 113 Ų | 113 | 111 Ų | 111 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | B | Isolated β-bridge | trans | -72.2 | 100.2 | 167.3 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | S47 N56 | S47-V54 CarbonylContact O-C 3.55Å; V54-N56 PolarHBondContact O-N 3.5Å |
| 55 | I | 60.8 | Low | 58.3 | Low | 99 Ų | 99 | 113.2 Ų | 113.2 | 51% | 0.508 | 62% | 0.623 | S | S | . | * | trans | -72.9 | 82.3 | 164.1 | -54.4 | 172.4 | 0 | 0 | 0 | 106.2 | S47 N53 P57 | S47-I55 WeakPolarHBondContact CB-O 3.3Å; S47-I55 CarbonylContact O-C 3.53Å; S47-I55 WeakPolarHBondContact O-CA 3.44Å; S47-I55 WeakPolarHBondContact O-CB 3.44Å; S47-I55 PolarHBondContact O-N 2.96Å; S47-I55 PolarHBondContact OG-O 3.38Å; N53-I55 PolarHBondContact O-N 2.85Å; N53-I55 VanDerWaalsContact O-N 3.11Å; I55-P57 WeakPolarHBondContact O-CD 3.2Å; I55-P57 VanDerWaalsContact O-N 3.07Å | ||
| 56 | N | 57.8 | Low | 57.3 | Low | 79 Ų | 79 | 113 Ų | 113 | 42% | 0.422 | 63% | 0.625 | S | S | . | * | trans | -62.3 | 113.3 | 171.7 | 178.1 | 6.2 | 0 | 0 | 0 | 108.6 | V54 F58 A59 | V54-N56 PolarHBondContact O-N 3.5Å; N56-F58 PolarHBondContact O-N 3.04Å; N56-F58 VanDerWaalsContact O-N 3.11Å; N56-F58 WeakPolarHBondContact OD1-CB 3.41Å; N56-F58 PolarHBondContact OD1-N 2.95Å; N56-A59 HydrophobicContact CB-CB 3.71Å; N56-A59 PolarHBondContact O-N 3.35Å | ||
| 57 | P | 56.2 | Low | 56.4 | Low | 71 Ų | 71 | 112.5 Ų | 112.5 | 46% | 0.461 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | -14 | -178.3 | 28.2 | -31.2 | 0 | 0 | 0 | 111.4 | S47 I55 | S47-P57 VanDerWaalsContact OG-CD 3.23Å; S47-P57 WeakPolarHBondContact OG-CD 3.02Å; S47-P57 WeakPolarHBondContact OG-CG 3.12Å; I55-P57 WeakPolarHBondContact O-CD 3.2Å; I55-P57 VanDerWaalsContact O-N 3.07Å |
| 58 | F | 59.3 | Low | 56 | Low | 149 Ų | 149 | 119.2 Ų | 119.2 | 65% | 0.654 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -3.8 | 175.8 | -54.4 | -77.3 | 0 | 0 | 0 | 114.1 | N56 K60 | N56-F58 PolarHBondContact O-N 3.04Å; N56-F58 VanDerWaalsContact O-N 3.11Å; N56-F58 WeakPolarHBondContact OD1-CB 3.41Å; N56-F58 PolarHBondContact OD1-N 2.95Å; F58-K60 VanDerWaalsContact C-N 3.32Å; F58-K60 PolarHBondContact O-N 3.21Å |
| 59 | A | 57.1 | Low | 55.6 | Low | 74 Ų | 74 | 121.9 Ų | 121.9 | 61% | 0.612 | 67% | 0.671 | S | S | * | * | trans | -84 | -0.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N56 | N56-A59 HydrophobicContact CB-CB 3.71Å; N56-A59 PolarHBondContact O-N 3.35Å | ||
| 60 | K | 43.6 | Very low | 55.4 | Low | 195 Ų | 195 | 129.2 Ų | 129.2 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -100.7 | 108.5 | -179.2 | -132 | 174.1 | -176 | 178.7 | 0 | 110.2 | F58 | F58-K60 VanDerWaalsContact C-N 3.32Å; F58-K60 PolarHBondContact O-N 3.21Å |
| 61 | K | 40.7 | Very low | 54.9 | Low | 206 Ų | 206 | 129.1 Ų | 129.1 | 90% | 0.896 | 70% | 0.697 | S | S | * | * | trans | 92.5 | 72.9 | 176.1 | -66.6 | -177.2 | 169.8 | -177.8 | 0 | 117.2 | ||||
| 62 | L | 40.5 | Very low | 54.2 | Low | 248 Ų | 248 | 128.1 Ų | 128.1 | 100% | 1.298 | 69% | 0.692 | S | S | * | * | -123.5 | 0 | 126.1 | -105.4 | 147.7 | 0 | 0 | 0 | 106.7 |
Retrieved 62 of 62 residues in 238.6 ms
(Link to these results)