| 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 | R | 32.5 | Very low | 38.5 | Very low | 294 Ų | 294 | 123.6 Ų | 123.6 | 100% | 1.109 | 70% | 0.701 | S | S | * | * | 0 | 99.5 | 0 | -160.8 | 177.2 | -167 | 161.2 | 2.5 | 105.7 | |||||
| 2 | I | 28.1 | Very low | 39.5 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 74% | 0.744 | 68% | 0.678 | S | S | * | * | trans | -99.7 | 121.5 | -178 | -59.7 | 174.8 | 0 | 0 | 0 | 106.3 | I4 | I2-I4 HydrophobicContact CG2-CG1 4.22Š| ||
| 3 | T | 35.6 | Very low | 40.3 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | trans | -110 | 127 | 179 | -53.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 4 | I | 33.2 | Very low | 41.4 | Very low | 91 Ų | 91 | 111.5 Ų | 111.5 | 47% | 0.467 | 62% | 0.617 | S | S | . | * | trans | -122.2 | 120.6 | 173.3 | -53.1 | 176.9 | 0 | 0 | 0 | 105.8 | I2 E6 I13 | I2-I4 HydrophobicContact CG2-CG1 4.22Å; I4-E6 HydrophobicContact CG2-CG 4.43Å; I4-I13 HydrophobicContact CB-CD1 4.16Å; I4-I13 HydrophobicContact CB-CG1 4.48Å; I4-I13 HydrophobicContact CB-CG2 3.93Å; I4-I13 HydrophobicContact CD1-CG2 4.38Å; I4-I13 HydrophobicContact CG2-CD1 3.72Å; I4-I13 HydrophobicContact CG2-CG1 3.97Å; I4-I13 HydrophobicContact CG2-CG2 4.31Å | ||
| 5 | S | 39.2 | Very low | 42.4 | Very low | 109 Ų | 109 | 108.5 Ų | 108.5 | 76% | 0.762 | 60% | 0.603 | S | S | * | * | trans | -130.1 | 124 | 169.3 | -80.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 6 | E | 46.9 | Very low | 43.6 | Very low | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.542 | 58% | 0.576 | S | S | . | * | trans | -127.1 | 122.4 | 174.3 | -76.1 | -108.5 | 164.6 | 0 | 0 | 108.9 | I4 E11 | I4-E6 HydrophobicContact CG2-CG 4.43Å; E6-E11 WeakPolarHBondContact CB-OE2 3.47Å; E6-E11 WeakPolarHBondContact CG-OE2 2.93Å | ||
| 7 | G | 45.6 | Very low | 44.4 | Very low | 72 Ų | 72 | 102.3 Ų | 102.3 | 74% | 0.742 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -74.7 | 130.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 8 | S | 44.9 | Very low | 45.6 | Very low | 122 Ų | 122 | 98.6 Ų | 98.6 | 85% | 0.853 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 61.9 | 52.8 | 157.2 | -168.7 | 0 | 0 | 0 | 0 | 118.1 | ||
| 9 | C | 37.5 | Very low | 46.9 | Very low | 81 Ų | 81 | 97.4 Ų | 97.4 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -149.8 | 149.7 | 148.7 | -80 | 0 | 0 | 0 | 0 | 105.6 | E11 | C9-E11 HydrophobicContact CB-CG 3.69Å; C9-E11 PolarHBondContact O-N 3.36Å |
| 10 | P | 40.4 | Very low | 48.1 | Very low | 129 Ų | 129 | 98.9 Ų | 98.9 | 84% | 0.838 | 57% | 0.569 | S | S | * | * | trans | -74.4 | 69 | 175 | 31.8 | -31.5 | 0 | 0 | 0 | 109 | ||||
| 11 | E | 39.5 | Very low | 49.2 | Very low | 83 Ų | 83 | 97.6 Ų | 97.6 | 39% | 0.388 | 57% | 0.57 | S | S | . | * | trans | -85.3 | 119.3 | -179.4 | -67.6 | -160.4 | 154.8 | 0 | 0 | 110.3 | E6 C9 I13 | E6-E11 WeakPolarHBondContact CB-OE2 3.47Å; E6-E11 WeakPolarHBondContact CG-OE2 2.93Å; C9-E11 HydrophobicContact CB-CG 3.69Å; C9-E11 PolarHBondContact O-N 3.36Å; E11-I13 PolarHBondContact O-N 3.29Å; E11-I13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | R | 50.2 | Low | 51 | Low | 110 Ų | 110 | 84.3 Ų | 84.3 | 42% | 0.415 | 52% | 0.522 | S | S | . | . | trans | -79.4 | 90.1 | -175.4 | -75.1 | 155.9 | 142.3 | -94.1 | 3 | 110.6 | G38 S39 E71 | R12-G38 PolarHBondContact NE-O 3.47Å; R12-G38 VanDerWaalsContact NE-O 3.13Å; R12-G38 PolarHBondContact NH1-O 3.26Å; R12-G38 PolarHBondContact NH2-O 2.81Å; R12-S39 VanDerWaalsContact NH1-CA 3.33Å; R12-S39 PolarHBondContact NH2-OG 3.16Å; R12-E71 WeakPolarHBondContact CA-OE1 3.21Å; R12-E71 VanDerWaalsContact CG-OE1 3.29Å; R12-E71 WeakPolarHBondContact CG-OE1 3.3Å | ||
| 13 | I | 50 | Low | 53.1 | Low | 55 Ų | 55 | 79.2 Ų | 79.2 | 28% | 0.282 | 50% | 0.498 | S | S | . | . | trans | -80.9 | 121 | -178.2 | -57.9 | 172.7 | 0 | 0 | 0 | 110.6 | I4 E11 | I4-I13 HydrophobicContact CB-CD1 4.16Å; I4-I13 HydrophobicContact CB-CG1 4.48Å; I4-I13 HydrophobicContact CB-CG2 3.93Å; I4-I13 HydrophobicContact CD1-CG2 4.38Å; I4-I13 HydrophobicContact CG2-CD1 3.72Å; I4-I13 HydrophobicContact CG2-CG1 3.97Å; I4-I13 HydrophobicContact CG2-CG2 4.31Å; E11-I13 PolarHBondContact O-N 3.29Å; E11-I13 VanDerWaalsContact O-N 3.1Å | ||
| 14 | T | 56 | Low | 54.8 | Low | 36 Ų | 36 | 81.4 Ų | 81.4 | 22% | 0.221 | 50% | 0.498 | C | S | . | . | trans | -118.7 | 125.5 | 172.8 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | I16 L40 V74 | T14-I16 HydrophobicContact CG2-CG1 4.31Å; T14-L40 HydrophobicContact CG2-CD2 3.6Å; T14-L40 WeakPolarHBondContact OG1-CD2 3.19Å; T14-V74 HydrophobicContact CG2-CB 4.37Å | ||
| 15 | T | 55.8 | Low | 56.7 | Low | 66 Ų | 66 | 83 Ų | 83 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 113.1 | -178.8 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | V74 V76 | T15-V74 PolarHBondContact N-O 3.16Å; T15-V76 PolarHBondContact O-N 3Å; T15-V76 VanDerWaalsContact O-N 3.16Å |
| 16 | I | 61.5 | Low | 58.2 | Low | 34 Ų | 34 | 78 Ų | 78 | 17% | 0.174 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.8 | 179.8 | -46.6 | 162.3 | 0 | 0 | 0 | 108.1 | T14 V23 A26 V27 I30 V76 | T14-I16 HydrophobicContact CG2-CG1 4.31Å; I16-V23 HydrophobicContact CG2-CB 4.36Å; I16-V23 HydrophobicContact CG2-CG1 4.23Å; I16-V23 HydrophobicContact CG2-CG2 4.06Å; I16-A26 HydrophobicContact CD1-CB 4.21Å; I16-A26 HydrophobicContact CG2-CB 4.06Å; I16-V27 HydrophobicContact CD1-CG2 3.51Å; I16-I30 HydrophobicContact CD1-CD1 3.35Å; I16-I30 HydrophobicContact CG1-CD1 4.05Å; I16-V76 HydrophobicContact CB-CG2 4.44Å; I16-V76 HydrophobicContact CG1-CG2 4.43Å; I16-V76 HydrophobicContact CG2-CB 3.95Å; I16-V76 HydrophobicContact CG2-CG1 4.33Å; I16-V76 HydrophobicContact CG2-CG2 4.13Å |
| 17 | T | 58.5 | Low | 59.4 | Low | 78 Ų | 78 | 76 Ų | 76 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | trans | -125.4 | 149.2 | 171.9 | -11 | 0 | 0 | 0 | 0 | 107.2 | V76 S77 | T17-V76 CarbonylContact C-O 3.52Å; T17-V76 VanDerWaalsContact C-O 3.23Å; T17-V76 WeakPolarHBondContact CA-O 3.11Å; T17-V76 WeakPolarHBondContact CB-O 3.43Å; T17-V76 PolarHBondContact N-O 3.1Å; T17-V76 CarbonylContact O-C 3.53Å; T17-V76 PolarHBondContact OG1-O 2.89Å; T17-S77 WeakPolarHBondContact O-CA 3Å; T17-S77 PolarHBondContact O-N 3.22Å | ||
| 18 | G | 66.3 | Low | 60.7 | Low | 35 Ų | 35 | 76 Ų | 76 | 36% | 0.361 | 45% | 0.453 | S | S | . | . | S | Bend | trans | 150.3 | -170.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S77 | G18-S77 WeakPolarHBondContact CA-OXT 3.33Š|
| 19 | S | 69.3 | Low | 61.9 | Low | 77 Ų | 77 | 72.7 Ų | 72.7 | 54% | 0.538 | 42% | 0.424 | S | S | . | . | trans | -63.7 | 146.1 | 174.7 | 67.9 | 0 | 0 | 0 | 0 | 111.1 | A21 A22 V23 | S19-A21 PolarHBondContact O-N 3.41Å; S19-A22 PolarHBondContact O-N 3.02Å; S19-A22 WeakPolarHBondContact OG-CB 3.49Å; S19-A22 PolarHBondContact OG-N 3.18Å; S19-V23 WeakPolarHBondContact O-CG2 3.19Å; S19-V23 PolarHBondContact O-N 3.08Å | ||
| 20 | T | 71.1 | Confident | 63.4 | Low | 127 Ų | 127 | 69.8 Ų | 69.8 | 78% | 0.779 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -53.4 | -35.9 | -176 | -38 | 0 | 0 | 0 | 0 | 112.5 | F24 | T20-F24 VanDerWaalsContact O-CB 3.26Å; T20-F24 WeakPolarHBondContact O-CB 3.4Å; T20-F24 PolarHBondContact O-N 2.75Å |
| 21 | A | 71.6 | Confident | 64.6 | Low | 72 Ų | 72 | 66.3 Ų | 66.3 | 60% | 0.595 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.7 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S19 F24 H25 | S19-A21 PolarHBondContact O-N 3.41Å; A21-F24 PolarHBondContact O-N 2.83Å; A21-H25 PolarHBondContact O-N 3.34Å |
| 22 | A | 69.7 | Low | 66 | Low | 14 Ų | 14 | 68.6 Ų | 68.6 | 12% | 0.116 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S19 H25 A26 A57 | S19-A22 PolarHBondContact O-N 3.02Å; S19-A22 WeakPolarHBondContact OG-CB 3.49Å; S19-A22 PolarHBondContact OG-N 3.18Å; A22-H25 PolarHBondContact O-N 2.82Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 2.72Å; A22-A57 HydrophobicContact CB-CB 4.23Å |
| 23 | V | 71.5 | Confident | 66.6 | Low | 38 Ų | 38 | 66.6 Ų | 66.6 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | I16 S19 H25 A26 V27 | I16-V23 HydrophobicContact CG2-CB 4.36Å; I16-V23 HydrophobicContact CG2-CG1 4.23Å; I16-V23 HydrophobicContact CG2-CG2 4.06Å; S19-V23 WeakPolarHBondContact O-CG2 3.19Å; S19-V23 PolarHBondContact O-N 3.08Å; V23-H25 PolarHBondContact O-N 3.5Å; V23-A26 PolarHBondContact O-N 2.73Å; V23-V27 HydrophobicContact CG1-CG2 4.12Å; V23-V27 WeakPolarHBondContact O-CB 3.33Å; V23-V27 WeakPolarHBondContact O-CG2 3.46Å; V23-V27 PolarHBondContact O-N 3.35Å |
| 24 | F | 72.9 | Confident | 67.2 | Low | 164 Ų | 164 | 66.7 Ų | 66.7 | 72% | 0.719 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 179.9 | -165.2 | -93.7 | 0 | 0 | 0 | 112 | T20 A21 S28 | T20-F24 VanDerWaalsContact O-CB 3.26Å; T20-F24 WeakPolarHBondContact O-CB 3.4Å; T20-F24 PolarHBondContact O-N 2.75Å; A21-F24 PolarHBondContact O-N 2.83Å; F24-S28 WeakPolarHBondContact O-CB 3.33Å; F24-S28 PolarHBondContact O-N 3.12Å |
| 25 | H | 73.4 | Confident | 67.6 | Low | 125 Ų | 125 | 72.3 Ų | 72.3 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.4 | -46.6 | 174.5 | -112.7 | 130.7 | 0 | 0 | 0 | 112.1 | A21 A22 V23 S28 M29 T55 | A21-H25 PolarHBondContact O-N 3.34Å; A22-H25 PolarHBondContact O-N 2.82Å; V23-H25 PolarHBondContact O-N 3.5Å; H25-S28 PolarHBondContact O-N 3.45Å; H25-M29 WeakPolarHBondContact O-CG 3.33Å; H25-M29 PolarHBondContact O-N 2.95Å; H25-T55 HydrophobicContact CB-CG2 4.42Å |
| 26 | A | 70.8 | Confident | 67.7 | Low | 3 Ų | 3 | 74.6 Ų | 74.6 | 3% | 0.025 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I16 A22 V23 S28 M29 I30 T55 | I16-A26 HydrophobicContact CD1-CB 4.21Å; I16-A26 HydrophobicContact CG2-CB 4.06Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 2.72Å; V23-A26 PolarHBondContact O-N 2.73Å; A26-S28 VanDerWaalsContact C-N 3.32Å; A26-S28 PolarHBondContact O-N 3.33Å; A26-M29 PolarHBondContact O-N 3.4Å; A26-I30 HydrophobicContact CB-CD1 4.31Å; A26-I30 VanDerWaalsContact O-CB 3.26Å; A26-I30 WeakPolarHBondContact O-CB 3.15Å; A26-I30 VanDerWaalsContact O-CD1 3.25Å; A26-I30 WeakPolarHBondContact O-CD1 3.39Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 3.12Å; A26-T55 HydrophobicContact CB-CG2 4.2Å |
| 27 | V | 70.2 | Confident | 67.4 | Low | 74 Ų | 74 | 76 Ų | 76 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | I16 V23 I30 A31 | I16-V27 HydrophobicContact CD1-CG2 3.51Å; V23-V27 HydrophobicContact CG1-CG2 4.12Å; V23-V27 WeakPolarHBondContact O-CB 3.33Å; V23-V27 WeakPolarHBondContact O-CG2 3.46Å; V23-V27 PolarHBondContact O-N 3.35Å; V27-I30 PolarHBondContact O-N 3.42Å; V27-A31 VanDerWaalsContact O-CB 3.27Å; V27-A31 WeakPolarHBondContact O-CB 3.4Å; V27-A31 PolarHBondContact O-N 3.19Å |
| 28 | S | 74.3 | Confident | 67.4 | Low | 73 Ų | 73 | 74.2 Ų | 74.2 | 51% | 0.51 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 178.8 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | F24 H25 A26 F32 | F24-S28 WeakPolarHBondContact O-CB 3.33Å; F24-S28 PolarHBondContact O-N 3.12Å; H25-S28 PolarHBondContact O-N 3.45Å; A26-S28 VanDerWaalsContact C-N 3.32Å; A26-S28 PolarHBondContact O-N 3.33Å; S28-F32 WeakPolarHBondContact O-CB 3.4Å; S28-F32 PolarHBondContact O-N 2.82Å; S28-F32 VanDerWaalsContact O-N 3.09Å |
| 29 | M | 69.2 | Low | 67.2 | Low | 53 Ų | 53 | 74.4 Ų | 74.4 | 26% | 0.261 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 174.8 | -71 | -177.2 | 85.5 | 0 | 0 | 112.2 | H25 A26 K33 T54 T55 | H25-M29 WeakPolarHBondContact O-CG 3.33Å; H25-M29 PolarHBondContact O-N 2.95Å; A26-M29 PolarHBondContact O-N 3.4Å; M29-K33 VanDerWaalsContact O-CB 3.29Å; M29-K33 WeakPolarHBondContact O-CB 3.29Å; M29-K33 WeakPolarHBondContact O-CG 3.26Å; M29-K33 PolarHBondContact O-N 3.32Å; M29-T54 HydrophobicContact CE-CG2 3.91Å; M29-T54 HydrophobicContact SD-CG2 3.99Å; M29-T55 HydrophobicContact SD-CG2 4.01Å |
| 30 | I | 68.5 | Low | 66.9 | Low | 19 Ų | 19 | 71.1 Ų | 71.1 | 10% | 0.097 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.5 | -49.6 | 179.9 | -70.4 | 163.8 | 0 | 0 | 0 | 110.5 | I16 A26 V27 F32 K33 L34 L40 I51 | I16-I30 HydrophobicContact CD1-CD1 3.35Å; I16-I30 HydrophobicContact CG1-CD1 4.05Å; A26-I30 HydrophobicContact CB-CD1 4.31Å; A26-I30 VanDerWaalsContact O-CB 3.26Å; A26-I30 WeakPolarHBondContact O-CB 3.15Å; A26-I30 VanDerWaalsContact O-CD1 3.25Å; A26-I30 WeakPolarHBondContact O-CD1 3.39Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 3.12Å; V27-I30 PolarHBondContact O-N 3.42Å; I30-F32 VanDerWaalsContact C-N 3.31Å; I30-F32 PolarHBondContact O-N 3.12Å; I30-K33 PolarHBondContact O-N 2.73Å; I30-L34 HydrophobicContact CG2-CD1 3.55Å; I30-L34 HydrophobicContact CG2-CG 4.1Å; I30-L34 VanDerWaalsContact O-CB 3.31Å; I30-L34 WeakPolarHBondContact O-CB 3.41Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.35Å; I30-L34 PolarHBondContact O-N 2.93Å; I30-L40 HydrophobicContact CB-CD1 4.24Å; I30-L40 HydrophobicContact CD1-CD1 4.47Å; I30-L40 HydrophobicContact CD1-CD2 4.33Å; I30-L40 HydrophobicContact CG1-CD1 3.59Å; I30-L40 HydrophobicContact CG1-CD2 4.19Å; I30-L40 HydrophobicContact CG2-CD1 4.11Å; I30-L40 HydrophobicContact CG2-CD2 4.05Å; I30-I51 HydrophobicContact CG1-CD1 4.38Å |
| 31 | A | 66 | Low | 66.6 | Low | 57 Ų | 57 | 67.4 Ų | 67.4 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V27 D35 | V27-A31 VanDerWaalsContact O-CB 3.27Å; V27-A31 WeakPolarHBondContact O-CB 3.4Å; V27-A31 PolarHBondContact O-N 3.19Å; A31-D35 PolarHBondContact O-N 2.96Å |
| 32 | F | 68.8 | Low | 66.1 | Low | 131 Ų | 131 | 64.7 Ų | 64.7 | 58% | 0.575 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | 176.4 | -172.1 | -93.2 | 0 | 0 | 0 | 112.6 | S28 I30 D35 E36 | S28-F32 WeakPolarHBondContact O-CB 3.4Å; S28-F32 PolarHBondContact O-N 2.82Å; S28-F32 VanDerWaalsContact O-N 3.09Å; I30-F32 VanDerWaalsContact C-N 3.31Å; I30-F32 PolarHBondContact O-N 3.12Å; F32-D35 PolarHBondContact O-N 3.06Å; F32-E36 WeakPolarHBondContact O-CB 3.47Å; F32-E36 PolarHBondContact O-N 2.6Å |
| 33 | K | 62.6 | Low | 65.5 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 29% | 0.291 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -78 | -25.5 | -177.9 | -74.4 | -69.1 | 174.5 | -162 | 0 | 114.3 | M29 I30 E36 C37 | M29-K33 VanDerWaalsContact O-CB 3.29Å; M29-K33 WeakPolarHBondContact O-CB 3.29Å; M29-K33 WeakPolarHBondContact O-CG 3.26Å; M29-K33 PolarHBondContact O-N 3.32Å; I30-K33 PolarHBondContact O-N 2.73Å; K33-E36 IonicContact NZ-OE2 2.77Å; K33-E36 PolarHBondContact NZ-OE2 3.49Å; K33-C37 WeakPolarHBondContact O-CB 3.38Å; K33-C37 PolarHBondContact O-N 2.67Å |
| 34 | L | 63.1 | Low | 65.2 | Low | 57 Ų | 57 | 76.9 Ų | 76.9 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 170.7 | -78.4 | 170.4 | 0 | 0 | 0 | 110.4 | I30 E36 G38 L40 | I30-L34 HydrophobicContact CG2-CD1 3.55Å; I30-L34 HydrophobicContact CG2-CG 4.1Å; I30-L34 VanDerWaalsContact O-CB 3.31Å; I30-L34 WeakPolarHBondContact O-CB 3.41Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.35Å; I30-L34 PolarHBondContact O-N 2.93Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-E36 PolarHBondContact O-N 3.48Å; L34-G38 WeakPolarHBondContact O-CA 3.34Å; L34-G38 PolarHBondContact O-N 3.04Å; L34-L40 HydrophobicContact CD2-CB 4.34Å |
| 35 | D | 64.1 | Low | 64.8 | Low | 154 Ų | 154 | 70 Ų | 70 | 82% | 0.824 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 176.7 | -151.9 | 60.6 | 0 | 0 | 0 | 111.8 | A31 F32 | A31-D35 PolarHBondContact O-N 2.96Å; F32-D35 PolarHBondContact O-N 3.06Å |
| 36 | E | 58.7 | Low | 64.5 | Low | 115 Ų | 115 | 68.3 Ų | 68.3 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -87.2 | -29.6 | -173.4 | -154.8 | -173.3 | -158.3 | 0 | 0 | 114.5 | F32 K33 L34 | F32-E36 WeakPolarHBondContact O-CB 3.47Å; F32-E36 PolarHBondContact O-N 2.6Å; K33-E36 IonicContact NZ-OE2 2.77Å; K33-E36 PolarHBondContact NZ-OE2 3.49Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-E36 PolarHBondContact O-N 3.48Å |
| 37 | C | 54.5 | Low | 64.4 | Low | 62 Ų | 62 | 70.8 Ų | 70.8 | 42% | 0.419 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -132.6 | -8.9 | -167.9 | -78.4 | 0 | 0 | 0 | 0 | 115 | K33 S39 K47 | K33-C37 WeakPolarHBondContact O-CB 3.38Å; K33-C37 PolarHBondContact O-N 2.67Å; C37-S39 PolarHBondContact O-N 3Å; C37-K47 PolarHBondContact SG-NZ 3.31Å |
| 38 | G | 59 | Low | 64.4 | Low | 42 Ų | 42 | 68 Ų | 68 | 43% | 0.433 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 57.3 | 6.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | R12 L34 | R12-G38 PolarHBondContact NE-O 3.47Å; R12-G38 VanDerWaalsContact NE-O 3.13Å; R12-G38 PolarHBondContact NH1-O 3.26Å; R12-G38 PolarHBondContact NH2-O 2.81Å; L34-G38 WeakPolarHBondContact O-CA 3.34Å; L34-G38 PolarHBondContact O-N 3.04Å |
| 39 | S | 61.4 | Low | 64.3 | Low | 39 Ų | 39 | 69.7 Ų | 69.7 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | trans | -144.2 | 107.9 | -175.6 | -164.2 | 0 | 0 | 0 | 0 | 114.2 | R12 C37 | R12-S39 VanDerWaalsContact NH1-CA 3.33Å; R12-S39 PolarHBondContact NH2-OG 3.16Å; C37-S39 PolarHBondContact O-N 3Å | ||
| 40 | L | 62.7 | Low | 64.5 | Low | 7 Ų | 7 | 72.4 Ų | 72.4 | 4% | 0.037 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -73.9 | -41.2 | -178.8 | 179.5 | 58.3 | 0 | 0 | 0 | 114.6 | T14 I30 L34 G42 K47 I51 | T14-L40 HydrophobicContact CG2-CD2 3.6Å; T14-L40 WeakPolarHBondContact OG1-CD2 3.19Å; I30-L40 HydrophobicContact CB-CD1 4.24Å; I30-L40 HydrophobicContact CD1-CD1 4.47Å; I30-L40 HydrophobicContact CD1-CD2 4.33Å; I30-L40 HydrophobicContact CG1-CD1 3.59Å; I30-L40 HydrophobicContact CG1-CD2 4.19Å; I30-L40 HydrophobicContact CG2-CD1 4.11Å; I30-L40 HydrophobicContact CG2-CD2 4.05Å; L34-L40 HydrophobicContact CD2-CB 4.34Å; L40-G42 VanDerWaalsContact C-N 3.29Å; L40-G42 PolarHBondContact O-N 3.06Å; L40-K47 WeakPolarHBondContact O-CB 2.95Å; L40-I51 HydrophobicContact CD1-CD1 3.57Å |
| 41 | I | 65.5 | Low | 64.7 | Low | 50 Ų | 50 | 72.1 Ų | 72.1 | 26% | 0.256 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -71.3 | -30.5 | -177.2 | -63.6 | 177.7 | 0 | 0 | 0 | 110.7 | G45 K47 I48 R72 | I41-G45 CarbonylContact O-C 3Å; I41-G45 VanDerWaalsContact O-C 3.31Å; I41-G45 WeakPolarHBondContact O-CA 3.4Å; I41-K47 PolarHBondContact O-N 2.84Å; I41-I48 HydrophobicContact CG1-CD1 4.31Å; I41-I48 PolarHBondContact O-N 3.39Å; I41-R72 HydrophobicContact CD1-CB 4.35Å |
| 42 | G | 61.1 | Low | 64.9 | Low | 15 Ų | 15 | 74.5 Ų | 74.5 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | trans | 69.2 | 167.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L40 A44 G45 | L40-G42 VanDerWaalsContact C-N 3.29Å; L40-G42 PolarHBondContact O-N 3.06Å; G42-A44 PolarHBondContact O-N 3.24Å; G42-G45 PolarHBondContact O-N 3.48Å | ||
| 43 | K | 57.5 | Low | 65 | Low | 197 Ų | 197 | 74.4 Ų | 74.4 | 86% | 0.857 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -60.6 | 125.5 | 174.9 | -75.6 | -179.3 | 177.2 | 175.2 | 0 | 109 | G45 T46 | K43-G45 VanDerWaalsContact C-N 3.27Å; K43-G45 PolarHBondContact O-N 3.28Å; K43-T46 PolarHBondContact O-N 3.44Å; K43-T46 PolarHBondContact O-OG1 2.72Å |
| 44 | A | 64.4 | Low | 65.4 | Low | 111 Ų | 111 | 75.3 Ų | 75.3 | 92% | 0.917 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | 59.5 | 24.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | G42 T46 | G42-A44 PolarHBondContact O-N 3.24Å; A44-T46 PolarHBondContact O-N 3.24Å |
| 45 | G | 66 | Low | 65.8 | Low | 20 Ų | 20 | 73.7 Ų | 73.7 | 21% | 0.206 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | 74.4 | 12.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I41 G42 K43 K47 I48 K49 | I41-G45 CarbonylContact O-C 3Å; I41-G45 VanDerWaalsContact O-C 3.31Å; I41-G45 WeakPolarHBondContact O-CA 3.4Å; G42-G45 PolarHBondContact O-N 3.48Å; K43-G45 VanDerWaalsContact C-N 3.27Å; K43-G45 PolarHBondContact O-N 3.28Å; G45-K47 PolarHBondContact O-N 3.36Å; G45-I48 WeakPolarHBondContact O-CG2 3.28Å; G45-K49 WeakPolarHBondContact O-CB 3.42Å; G45-K49 PolarHBondContact O-N 2.99Å; G45-K49 VanDerWaalsContact O-N 3.12Å |
| 46 | T | 65.7 | Low | 65.9 | Low | 88 Ų | 88 | 69.5 Ų | 69.5 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | -178.6 | 40.3 | 0 | 0 | 0 | 0 | 113.1 | K43 A44 K49 E50 | K43-T46 PolarHBondContact O-N 3.44Å; K43-T46 PolarHBondContact O-OG1 2.72Å; A44-T46 PolarHBondContact O-N 3.24Å; T46-K49 WeakPolarHBondContact O-CB 3.19Å; T46-K49 PolarHBondContact O-N 3.34Å; T46-E50 PolarHBondContact O-N 3.45Å; T46-E50 VanDerWaalsContact O-N 3.12Å |
| 47 | K | 69 | Low | 66.4 | Low | 55 Ų | 55 | 64.5 Ų | 64.5 | 24% | 0.239 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.3 | -42 | -178.5 | -114.1 | 132.6 | 169.6 | -175.8 | 0 | 112.5 | C37 L40 I41 G45 K49 E50 I51 | C37-K47 PolarHBondContact SG-NZ 3.31Å; L40-K47 WeakPolarHBondContact O-CB 2.95Å; I41-K47 PolarHBondContact O-N 2.84Å; G45-K47 PolarHBondContact O-N 3.36Å; K47-K49 PolarHBondContact O-N 3.06Å; K47-E50 WeakPolarHBondContact O-CB 3.43Å; K47-E50 PolarHBondContact O-N 2.88Å; K47-E50 VanDerWaalsContact O-N 3.12Å; K47-I51 WeakPolarHBondContact O-CG1 3.17Å; K47-I51 PolarHBondContact O-N 3.49Å |
| 48 | I | 70.6 | Confident | 66.7 | Low | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.077 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.6 | -28.4 | 178.1 | -150.7 | 149.7 | 0 | 0 | 0 | 111.7 | I41 G45 I51 R52 V59 V61 V74 | I41-I48 HydrophobicContact CG1-CD1 4.31Å; I41-I48 PolarHBondContact O-N 3.39Å; G45-I48 WeakPolarHBondContact O-CG2 3.28Å; I48-I51 PolarHBondContact O-N 2.84Å; I48-R52 PolarHBondContact O-N 3.48Å; I48-V59 HydrophobicContact CD1-CG1 3.95Å; I48-V59 HydrophobicContact CG1-CG1 3.69Å; I48-V61 HydrophobicContact CD1-CG2 4.42Å; I48-V61 HydrophobicContact CG2-CG2 4.33Å; I48-V74 HydrophobicContact CD1-CB 4.3Å; I48-V74 HydrophobicContact CD1-CG1 3.74Å; I48-V74 HydrophobicContact CD1-CG2 3.89Å |
| 49 | K | 72.2 | Confident | 67.1 | Low | 109 Ų | 109 | 67 Ų | 67 | 47% | 0.474 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 171.1 | -157.1 | -173.9 | 178.2 | -174.2 | 0 | 112.6 | G45 T46 K47 R52 E53 | G45-K49 WeakPolarHBondContact O-CB 3.42Å; G45-K49 PolarHBondContact O-N 2.99Å; G45-K49 VanDerWaalsContact O-N 3.12Å; T46-K49 WeakPolarHBondContact O-CB 3.19Å; T46-K49 PolarHBondContact O-N 3.34Å; K47-K49 PolarHBondContact O-N 3.06Å; K49-R52 VanDerWaalsContact CG-NE 3.25Å; K49-R52 VanDerWaalsContact CG-NH2 3.33Å; K49-R52 WeakPolarHBondContact O-CG 3.46Å; K49-R52 PolarHBondContact O-NE 3.32Å; K49-E53 WeakPolarHBondContact O-CG 3.4Å; K49-E53 PolarHBondContact O-N 2.86Å |
| 50 | E | 74 | Confident | 67.3 | Low | 111 Ų | 111 | 71 Ų | 71 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -73.1 | -39.1 | 174.4 | -172.6 | -178 | -174.1 | 0 | 0 | 111.6 | T46 K47 E53 T54 | T46-E50 PolarHBondContact O-N 3.45Å; T46-E50 VanDerWaalsContact O-N 3.12Å; K47-E50 WeakPolarHBondContact O-CB 3.43Å; K47-E50 PolarHBondContact O-N 2.88Å; K47-E50 VanDerWaalsContact O-N 3.12Å; E50-E53 PolarHBondContact O-N 3.49Å; E50-T54 WeakPolarHBondContact O-CB 3.02Å; E50-T54 PolarHBondContact O-N 3.25Å; E50-T54 PolarHBondContact O-OG1 2.71Å |
| 51 | I | 71.8 | Confident | 67.6 | Low | 13 Ų | 13 | 73.6 Ų | 73.6 | 7% | 0.067 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.6 | -46 | 176.8 | -67.6 | 168.3 | 0 | 0 | 0 | 110.5 | I30 L40 K47 I48 E53 T54 T55 | I30-I51 HydrophobicContact CG1-CD1 4.38Å; L40-I51 HydrophobicContact CD1-CD1 3.57Å; K47-I51 WeakPolarHBondContact O-CG1 3.17Å; K47-I51 PolarHBondContact O-N 3.49Å; I48-I51 PolarHBondContact O-N 2.84Å; I51-E53 VanDerWaalsContact C-N 3.26Å; I51-E53 PolarHBondContact O-N 3.21Å; I51-T54 PolarHBondContact O-N 2.77Å; I51-T55 HydrophobicContact CG2-CG2 3.94Å; I51-T55 VanDerWaalsContact O-CB 3.26Å; I51-T55 WeakPolarHBondContact O-CB 3.13Å; I51-T55 VanDerWaalsContact O-CG2 3.29Å; I51-T55 WeakPolarHBondContact O-CG2 3.47Å; I51-T55 PolarHBondContact O-N 3.31Å; I51-T55 PolarHBondContact O-OG1 2.79Å |
| 52 | R | 70.1 | Confident | 67.7 | Low | 107 Ų | 107 | 72.9 Ų | 72.9 | 40% | 0.404 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 175.6 | 64.1 | 170.5 | -161.4 | 169.7 | 16.1 | 112.6 | I48 K49 G56 A57 V59 | I48-R52 PolarHBondContact O-N 3.48Å; K49-R52 VanDerWaalsContact CG-NE 3.25Å; K49-R52 VanDerWaalsContact CG-NH2 3.33Å; K49-R52 WeakPolarHBondContact O-CG 3.46Å; K49-R52 PolarHBondContact O-NE 3.32Å; R52-G56 VanDerWaalsContact O-CA 3.3Å; R52-G56 WeakPolarHBondContact O-CA 3.25Å; R52-G56 PolarHBondContact O-N 2.96Å; R52-A57 WeakPolarHBondContact CB-O 3.26Å; R52-V59 HydrophobicContact CB-CB 4.11Å; R52-V59 HydrophobicContact CB-CG2 3.73Å |
| 53 | E | 71.8 | Confident | 67.5 | Low | 128 Ų | 128 | 74.7 Ų | 74.7 | 60% | 0.598 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -77.1 | -38.6 | -177.8 | -82.4 | 166.9 | -156.6 | 0 | 0 | 110.9 | K49 E50 I51 | K49-E53 WeakPolarHBondContact O-CG 3.4Å; K49-E53 PolarHBondContact O-N 2.86Å; E50-E53 PolarHBondContact O-N 3.49Å; I51-E53 VanDerWaalsContact C-N 3.26Å; I51-E53 PolarHBondContact O-N 3.21Å |
| 54 | T | 70.3 | Confident | 67.8 | Low | 87 Ų | 87 | 71.9 Ų | 71.9 | 53% | 0.534 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -75.4 | -44.3 | 178.4 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | M29 E50 I51 | M29-T54 HydrophobicContact CE-CG2 3.91Å; M29-T54 HydrophobicContact SD-CG2 3.99Å; E50-T54 WeakPolarHBondContact O-CB 3.02Å; E50-T54 PolarHBondContact O-N 3.25Å; E50-T54 PolarHBondContact O-OG1 2.71Å; I51-T54 PolarHBondContact O-N 2.77Å |
| 55 | T | 70.9 | Confident | 67.5 | Low | 22 Ų | 22 | 70.9 Ų | 70.9 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -84 | -18.3 | -176.5 | 63.6 | 0 | 0 | 0 | 0 | 113 | H25 A26 M29 I51 A57 | H25-T55 HydrophobicContact CB-CG2 4.42Å; A26-T55 HydrophobicContact CB-CG2 4.2Å; M29-T55 HydrophobicContact SD-CG2 4.01Å; I51-T55 HydrophobicContact CG2-CG2 3.94Å; I51-T55 VanDerWaalsContact O-CB 3.26Å; I51-T55 WeakPolarHBondContact O-CB 3.13Å; I51-T55 VanDerWaalsContact O-CG2 3.29Å; I51-T55 WeakPolarHBondContact O-CG2 3.47Å; I51-T55 PolarHBondContact O-N 3.31Å; I51-T55 PolarHBondContact O-OG1 2.79Å; T55-A57 PolarHBondContact O-N 2.98Å; T55-A57 WeakPolarHBondContact OG1-CB 3.21Å; T55-A57 PolarHBondContact OG1-N 2.92Å |
| 56 | G | 67.8 | Low | 67.1 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | trans | 65.6 | 8.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R52 | R52-G56 VanDerWaalsContact O-CA 3.3Å; R52-G56 WeakPolarHBondContact O-CA 3.25Å; R52-G56 PolarHBondContact O-N 2.96Å | ||
| 57 | A | 67.3 | Low | 66.4 | Low | 9 Ų | 9 | 74.7 Ų | 74.7 | 7% | 0.074 | 42% | 0.415 | C | S | . | . | trans | -84.5 | 143.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A22 R52 T55 V59 V76 | A22-A57 HydrophobicContact CB-CB 4.23Å; R52-A57 WeakPolarHBondContact CB-O 3.26Å; T55-A57 PolarHBondContact O-N 2.98Å; T55-A57 WeakPolarHBondContact OG1-CB 3.21Å; T55-A57 PolarHBondContact OG1-N 2.92Å; A57-V59 PolarHBondContact O-N 3.42Å; A57-V59 VanDerWaalsContact O-N 3.08Å; A57-V76 HydrophobicContact CB-CG1 3.38Å | ||
| 58 | Q | 61.8 | Low | 65.8 | Low | 126 Ų | 126 | 80.7 Ų | 80.7 | 59% | 0.589 | 45% | 0.449 | S | S | * | . | trans | -80 | 92.3 | -177.7 | -175.6 | 179.8 | 24.9 | 0 | 0 | 110 | V76 S77 | Q58-V76 CarbonylContact O-C 3.36Å; Q58-V76 WeakPolarHBondContact O-CA 3.34Å; Q58-S77 WeakPolarHBondContact CA-O 3.4Å; Q58-S77 WeakPolarHBondContact CB-O 3.26Å; Q58-S77 WeakPolarHBondContact CB-OG 3.4Å; Q58-S77 VanDerWaalsContact CD-OG 3.29Å; Q58-S77 WeakPolarHBondContact CG-OG 3.29Å; Q58-S77 PolarHBondContact N-O 3.22Å; Q58-S77 PolarHBondContact O-N 3.17Å; Q58-S77 PolarHBondContact O-OG 3.46Å; Q58-S77 PolarHBondContact OE1-OG 2.74Å | ||
| 59 | V | 68.2 | Low | 64.8 | Low | 31 Ų | 31 | 81.7 Ų | 81.7 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.8 | -179.6 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | I48 R52 A57 V74 V76 | I48-V59 HydrophobicContact CD1-CG1 3.95Å; I48-V59 HydrophobicContact CG1-CG1 3.69Å; R52-V59 HydrophobicContact CB-CB 4.11Å; R52-V59 HydrophobicContact CB-CG2 3.73Å; A57-V59 PolarHBondContact O-N 3.42Å; A57-V59 VanDerWaalsContact O-N 3.08Å; V59-V74 HydrophobicContact CG1-CG1 3.27Å; V59-V76 HydrophobicContact CB-CG2 4.25Å; V59-V76 HydrophobicContact CG1-CG2 3.98Å; V59-V76 HydrophobicContact CG2-CB 4.37Å; V59-V76 HydrophobicContact CG2-CG1 3.77Å; V59-V76 HydrophobicContact CG2-CG2 3.82Å |
| 60 | Q | 65.8 | Low | 64.1 | Low | 122 Ų | 122 | 82.9 Ų | 82.9 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.2 | -176.2 | -159.1 | 164.7 | 6.9 | 0 | 0 | 109.7 | V74 T75 | Q60-V74 CarbonylContact O-C 3.31Å; Q60-V74 WeakPolarHBondContact O-CA 3.38Å; Q60-V74 WeakPolarHBondContact O-CG1 3.04Å; Q60-T75 WeakPolarHBondContact CA-O 3.35Å; Q60-T75 VanDerWaalsContact CB-O 3.28Å; Q60-T75 WeakPolarHBondContact CB-O 3.29Å; Q60-T75 PolarHBondContact N-O 3.09Å; Q60-T75 PolarHBondContact O-N 2.84Å |
| 61 | V | 68.4 | Low | 63.3 | Low | 62 Ų | 62 | 79.8 Ų | 79.8 | 38% | 0.376 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130 | -177.4 | -178.1 | 0 | 0 | 0 | 0 | 109 | I48 R72 V74 | I48-V61 HydrophobicContact CD1-CG2 4.42Å; I48-V61 HydrophobicContact CG2-CG2 4.33Å; V61-R72 HydrophobicContact CG1-CB 3.99Å; V61-V74 HydrophobicContact CB-CG2 4.37Å; V61-V74 HydrophobicContact CG1-CG2 4.13Å; V61-V74 HydrophobicContact CG2-CG1 4.05Å; V61-V74 HydrophobicContact CG2-CG2 4Å |
| 62 | A | 66.7 | Low | 62.8 | Low | 36 Ų | 36 | 84.5 Ų | 84.5 | 30% | 0.298 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 133.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D64 R72 A73 | A62-D64 VanDerWaalsContact C-N 3.27Å; A62-R72 PolarHBondContact O-NH1 2.84Å; A62-A73 WeakPolarHBondContact CA-O 3.47Å; A62-A73 HydrophobicContact CB-CB 3.81Å; A62-A73 WeakPolarHBondContact CB-O 3.43Å; A62-A73 PolarHBondContact N-O 3.49Å |
| 63 | G | 58 | Low | 62.4 | Low | 53 Ų | 53 | 81 Ų | 81 | 55% | 0.546 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -33.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R72 | G63-R72 PolarHBondContact O-NH1 3.04Å |
| 64 | D | 62.5 | Low | 61.9 | Low | 137 Ų | 137 | 75.1 Ų | 75.1 | 73% | 0.733 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 143.9 | -176.5 | -58.1 | -53 | 0 | 0 | 0 | 111.8 | A62 | A62-D64 VanDerWaalsContact C-N 3.27Å |
| 65 | L | 58.2 | Low | 61.6 | Low | 90 Ų | 90 | 74.2 Ų | 74.2 | 47% | 0.471 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 141.6 | 168.2 | -62 | 175.1 | 0 | 0 | 0 | 108.7 | T70 E71 R72 | L65-T70 WeakPolarHBondContact CD2-O 3.27Å; L65-E71 CarbonylContact C-O 3.23Å; L65-E71 WeakPolarHBondContact CA-O 3.31Å; L65-R72 HydrophobicContact CD2-CG 3.68Å |
| 66 | L | 57.3 | Low | 61.2 | Low | 74 Ų | 74 | 73.5 Ų | 73.5 | 39% | 0.387 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 135.6 | 169.9 | -78.5 | 153.3 | 0 | 0 | 0 | 108.6 | N68 S69 E71 A73 | L66-N68 PolarHBondContact O-N 3.37Å; L66-S69 PolarHBondContact O-N 2.88Å; L66-E71 HydrophobicContact CD1-CB 4.42Å; L66-E71 PolarHBondContact N-O 3.13Å; L66-A73 HydrophobicContact CD1-CB 4.48Å |
| 67 | P | 52.3 | Low | 60.7 | Low | 114 Ų | 114 | 73.9 Ų | 73.9 | 74% | 0.74 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 128.7 | 180 | 21.3 | -30.3 | 0 | 0 | 0 | 109.4 | S69 | P67-S69 VanDerWaalsContact C-N 3.35Š|
| 68 | N | 55.1 | Low | 60.4 | Low | 181 Ų | 181 | 77.1 Ų | 77.1 | 97% | 0.968 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 14 | -172.9 | -50.4 | -40.9 | 0 | 0 | 0 | 116.5 | L66 | L66-N68 PolarHBondContact O-N 3.37Š|
| 69 | S | 51.7 | Low | 60.3 | Low | 36 Ų | 36 | 74.5 Ų | 74.5 | 25% | 0.252 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -129.7 | 156.5 | 175.7 | -171.2 | 0 | 0 | 0 | 0 | 111.6 | L66 P67 E71 | L66-S69 PolarHBondContact O-N 2.88Å; P67-S69 VanDerWaalsContact C-N 3.35Å; S69-E71 WeakPolarHBondContact OG-CB 3.27Å; S69-E71 VanDerWaalsContact OG-CD 3.23Å; S69-E71 WeakPolarHBondContact OG-CG 3.21Å; S69-E71 PolarHBondContact OG-N 3.22Å; S69-E71 VanDerWaalsContact OG-N 3.16Å; S69-E71 PolarHBondContact OG-OE2 3.02Å |
| 70 | T | 57.4 | Low | 59.9 | Low | 134 Ų | 134 | 76.9 Ų | 76.9 | 82% | 0.822 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -88.7 | 11.3 | 167.2 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | L65 | L65-T70 WeakPolarHBondContact CD2-O 3.27Š|
| 71 | E | 56.8 | Low | 59.5 | Low | 46 Ų | 46 | 74.3 Ų | 74.3 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | trans | -97.4 | 150.6 | -174.4 | -63.6 | 169 | 158.9 | 0 | 0 | 112.5 | R12 L65 L66 S69 | R12-E71 WeakPolarHBondContact CA-OE1 3.21Å; R12-E71 VanDerWaalsContact CG-OE1 3.29Å; R12-E71 WeakPolarHBondContact CG-OE1 3.3Å; L65-E71 CarbonylContact C-O 3.23Å; L65-E71 WeakPolarHBondContact CA-O 3.31Å; L66-E71 HydrophobicContact CD1-CB 4.42Å; L66-E71 PolarHBondContact N-O 3.13Å; S69-E71 WeakPolarHBondContact OG-CB 3.27Å; S69-E71 VanDerWaalsContact OG-CD 3.23Å; S69-E71 WeakPolarHBondContact OG-CG 3.21Å; S69-E71 PolarHBondContact OG-N 3.22Å; S69-E71 VanDerWaalsContact OG-N 3.16Å; S69-E71 PolarHBondContact OG-OE2 3.02Å | ||
| 72 | R | 60.9 | Low | 59 | Low | 113 Ų | 113 | 75.1 Ų | 75.1 | 43% | 0.426 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.7 | 173.7 | -66.8 | 175.8 | 175.6 | -110.8 | -4.3 | 107.9 | I41 V61 A62 G63 L65 V74 | I41-R72 HydrophobicContact CD1-CB 4.35Å; V61-R72 HydrophobicContact CG1-CB 3.99Å; A62-R72 PolarHBondContact O-NH1 2.84Å; G63-R72 PolarHBondContact O-NH1 3.04Å; L65-R72 HydrophobicContact CD2-CG 3.68Å; R72-V74 PolarHBondContact O-N 3.21Å |
| 73 | A | 62.2 | Low | 58.5 | Low | 34 Ų | 34 | 77.7 Ų | 77.7 | 28% | 0.281 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 139.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | A62 L66 | A62-A73 WeakPolarHBondContact CA-O 3.47Å; A62-A73 HydrophobicContact CB-CB 3.81Å; A62-A73 WeakPolarHBondContact CB-O 3.43Å; A62-A73 PolarHBondContact N-O 3.49Å; L66-A73 HydrophobicContact CD1-CB 4.48Å |
| 74 | V | 60.8 | Low | 58.5 | Low | 3 Ų | 3 | 79.4 Ų | 79.4 | 2% | 0.018 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.6 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | T14 T15 I48 V59 Q60 V61 R72 | T14-V74 HydrophobicContact CG2-CB 4.37Å; T15-V74 PolarHBondContact N-O 3.16Å; I48-V74 HydrophobicContact CD1-CB 4.3Å; I48-V74 HydrophobicContact CD1-CG1 3.74Å; I48-V74 HydrophobicContact CD1-CG2 3.89Å; V59-V74 HydrophobicContact CG1-CG1 3.27Å; Q60-V74 CarbonylContact O-C 3.31Å; Q60-V74 WeakPolarHBondContact O-CA 3.38Å; Q60-V74 WeakPolarHBondContact O-CG1 3.04Å; V61-V74 HydrophobicContact CB-CG2 4.37Å; V61-V74 HydrophobicContact CG1-CG2 4.13Å; V61-V74 HydrophobicContact CG2-CG1 4.05Å; V61-V74 HydrophobicContact CG2-CG2 4Å; R72-V74 PolarHBondContact O-N 3.21Å |
| 75 | T | 63.3 | Low | 58.2 | Low | 68 Ų | 68 | 75 Ų | 75 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 120.4 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 108.3 | Q60 | Q60-T75 WeakPolarHBondContact CA-O 3.35Å; Q60-T75 VanDerWaalsContact CB-O 3.28Å; Q60-T75 WeakPolarHBondContact CB-O 3.29Å; Q60-T75 PolarHBondContact N-O 3.09Å; Q60-T75 PolarHBondContact O-N 2.84Å |
| 76 | V | 62.8 | Low | 58.2 | Low | 7 Ų | 7 | 73.8 Ų | 73.8 | 4% | 0.042 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 143.6 | 169.6 | -166.9 | 0 | 0 | 0 | 0 | 109.2 | T15 I16 T17 A57 Q58 V59 | T15-V76 PolarHBondContact O-N 3Å; T15-V76 VanDerWaalsContact O-N 3.16Å; I16-V76 HydrophobicContact CB-CG2 4.44Å; I16-V76 HydrophobicContact CG1-CG2 4.43Å; I16-V76 HydrophobicContact CG2-CB 3.95Å; I16-V76 HydrophobicContact CG2-CG1 4.33Å; I16-V76 HydrophobicContact CG2-CG2 4.13Å; T17-V76 CarbonylContact C-O 3.52Å; T17-V76 VanDerWaalsContact C-O 3.23Å; T17-V76 WeakPolarHBondContact CA-O 3.11Å; T17-V76 WeakPolarHBondContact CB-O 3.43Å; T17-V76 PolarHBondContact N-O 3.1Å; T17-V76 CarbonylContact O-C 3.53Å; T17-V76 PolarHBondContact OG1-O 2.89Å; A57-V76 HydrophobicContact CB-CG1 3.38Å; Q58-V76 CarbonylContact O-C 3.36Å; Q58-V76 WeakPolarHBondContact O-CA 3.34Å; V59-V76 HydrophobicContact CB-CG2 4.25Å; V59-V76 HydrophobicContact CG1-CG2 3.98Å; V59-V76 HydrophobicContact CG2-CB 4.37Å; V59-V76 HydrophobicContact CG2-CG1 3.77Å; V59-V76 HydrophobicContact CG2-CG2 3.82Å |
| 77 | S | 57.9 | Low | 58.3 | Low | 75 Ų | 75 | 73.7 Ų | 73.7 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | trans | -130.6 | 0 | 172.9 | 44.6 | 0 | 0 | 0 | 0 | 114.2 | T17 G18 Q58 | T17-S77 WeakPolarHBondContact O-CA 3Å; T17-S77 PolarHBondContact O-N 3.22Å; G18-S77 WeakPolarHBondContact CA-OXT 3.33Å; Q58-S77 WeakPolarHBondContact CA-O 3.4Å; Q58-S77 WeakPolarHBondContact CB-O 3.26Å; Q58-S77 WeakPolarHBondContact CB-OG 3.4Å; Q58-S77 VanDerWaalsContact CD-OG 3.29Å; Q58-S77 WeakPolarHBondContact CG-OG 3.29Å; Q58-S77 PolarHBondContact N-O 3.22Å; Q58-S77 PolarHBondContact O-N 3.17Å; Q58-S77 PolarHBondContact O-OG 3.46Å; Q58-S77 PolarHBondContact OE1-OG 2.74Å |
Retrieved 77 of 77 residues in 13.6 ms
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