| 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 | 34.8 | Very low | 46.5 | Very low | 240 Ų | 240 | 118.9 Ų | 118.9 | 100% | 1.182 | 73% | 0.727 | S | S | * | * | 0 | 87.2 | 0 | -69.1 | 169.5 | 67.6 | 0 | 0 | 107.4 | |||||
| 2 | T | 37.9 | Very low | 48.1 | Very low | 106 Ų | 106 | 113.8 Ų | 113.8 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | trans | -79.9 | 121.6 | 176.3 | 39.6 | 0 | 0 | 0 | 0 | 108.6 | Q4 | T2-Q4 PolarHBondContact O-N 2.87Š| ||
| 3 | E | 44.2 | Very low | 49.7 | Very low | 204 Ų | 204 | 114.2 Ų | 114.2 | 95% | 0.953 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 34.4 | 174.9 | -95.1 | 162.6 | 82.7 | 0 | 0 | 115.2 | ||
| 4 | Q | 40.9 | Very low | 51.3 | Low | 143 Ų | 143 | 107.3 Ų | 107.3 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 1.1 | -171.7 | -72.2 | -175.7 | 94.5 | 0 | 0 | 114.4 | T2 | T2-Q4 PolarHBondContact O-N 2.87Š|
| 5 | E | 39.1 | Very low | 53 | Low | 196 Ų | 196 | 102.4 Ų | 102.4 | 92% | 0.916 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -103.2 | 92.9 | -177.3 | -58.9 | -161.4 | 125.7 | 0 | 0 | 110.6 | ||
| 6 | G | 45.1 | Very low | 54.2 | Low | 64 Ų | 64 | 100.6 Ų | 100.6 | 66% | 0.66 | 61% | 0.608 | S | S | * | * | trans | 164 | 7.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 7 | E | 50.1 | Low | 55.6 | Low | 69 Ų | 69 | 103.5 Ų | 103.5 | 32% | 0.322 | 61% | 0.614 | S | S | . | * | trans | -110.9 | 112.9 | 180 | -48.9 | -148.9 | 121.5 | 0 | 0 | 109 | W9 H34 | E7-W9 HydrophobicContact CB-CD2 4.07Å; E7-W9 HydrophobicContact CB-CG 4.14Å; E7-W9 PolarHBondContact O-N 3.47Å; E7-W9 WeakPolarHBondContact OE2-CH2 3.43Å; E7-W9 WeakPolarHBondContact OE2-CZ2 3.45Å; E7-H34 IonicContact OE1-CE1 2.77Å; E7-H34 IonicContact OE1-CG 2.85Å; E7-H34 IonicContact OE1-ND1 2.87Å; E7-H34 PolarHBondContact OE1-ND1 3.41Å; E7-H34 IonicContact OE2-CE1 3.52Å; E7-H34 IonicContact OE2-ND1 2.99Å; E7-H34 PolarHBondContact OE2-ND1 3.06Å | ||
| 8 | G | 50.8 | Low | 56.9 | Low | 80 Ų | 80 | 102.5 Ų | 102.5 | 83% | 0.825 | 60% | 0.604 | S | S | * | * | trans | -67.4 | 57.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | G10 | G8-G10 PolarHBondContact O-N 3.36Å; G8-G10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | W | 57.3 | Low | 58.2 | Low | 46 Ų | 46 | 98.4 Ų | 98.4 | 17% | 0.174 | 58% | 0.578 | C | S | . | * | trans | -86.9 | 51.8 | -179.2 | -64.5 | -3.1 | 0 | 0 | 0 | 110.6 | E7 G11 I12 L14 L30 R31 H34 | E7-W9 HydrophobicContact CB-CD2 4.07Å; E7-W9 HydrophobicContact CB-CG 4.14Å; E7-W9 PolarHBondContact O-N 3.47Å; E7-W9 WeakPolarHBondContact OE2-CH2 3.43Å; E7-W9 WeakPolarHBondContact OE2-CZ2 3.45Å; W9-G11 PolarHBondContact O-N 3.12Å; W9-I12 PolarHBondContact O-N 3.12Å; W9-L14 HydrophobicContact CB-CD1 4.3Å; W9-L14 HydrophobicContact CD2-CD1 4.21Å; W9-L14 HydrophobicContact CD2-CD2 4.22Å; W9-L14 HydrophobicContact CE3-CB 4.45Å; W9-L14 HydrophobicContact CE3-CD1 3.29Å; W9-L14 HydrophobicContact CE3-CD2 3.29Å; W9-L14 HydrophobicContact CE3-CG 3.79Å; W9-L14 HydrophobicContact CH2-CD2 3.83Å; W9-L14 HydrophobicContact CZ3-CB 4.23Å; W9-L14 HydrophobicContact CZ3-CD1 3.9Å; W9-L14 HydrophobicContact CZ3-CD2 3.07Å; W9-L14 HydrophobicContact CZ3-CG 3.88Å; W9-L30 HydrophobicContact CH2-CD2 4.08Å; W9-L30 HydrophobicContact CH2-CG 4.42Å; W9-L30 HydrophobicContact CZ2-CD2 3.51Å; W9-L30 HydrophobicContact CZ2-CG 3.86Å; W9-R31 HydrophobicContact CH2-CG 4.13Å; W9-H34 AromaticContact CE2-CE1 3.91Å; W9-H34 AromaticContact CZ2-CE1 3.69Å; W9-H34 AromaticContact CZ2-ND1 3.58Å; W9-H34 AromaticContact NE1-CE1 3.5Å | ||
| 10 | G | 53.1 | Low | 59.6 | Low | 73 Ų | 73 | 96.8 Ų | 96.8 | 75% | 0.753 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 42.1 | 35.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | G8 I12 | G8-G10 PolarHBondContact O-N 3.36Å; G8-G10 VanDerWaalsContact O-N 3.08Å; G10-I12 PolarHBondContact O-N 3.13Å |
| 11 | G | 58.7 | Low | 60.9 | Low | 87 Ų | 87 | 98.4 Ų | 98.4 | 90% | 0.897 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 19.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | W9 | W9-G11 PolarHBondContact O-N 3.12Š|
| 12 | I | 65.4 | Low | 63.3 | Low | 58 Ų | 58 | 93.7 Ų | 93.7 | 30% | 0.297 | 55% | 0.551 | S | S | . | * | trans | -96.7 | 136.2 | 178.9 | -59.6 | 168.7 | 0 | 0 | 0 | 110 | W9 G10 L14 L57 R61 | W9-I12 PolarHBondContact O-N 3.12Å; G10-I12 PolarHBondContact O-N 3.13Å; I12-L14 HydrophobicContact CB-CD1 4.5Å; I12-L14 WeakPolarHBondContact O-CD1 3.39Å; I12-L14 PolarHBondContact O-N 2.87Å; I12-L57 HydrophobicContact CG2-CD1 4.16Å; I12-R61 VanDerWaalsContact CD1-NH2 3.35Å | ||
| 13 | N | 69.2 | Low | 65.6 | Low | 119 Ų | 119 | 88.7 Ų | 88.7 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | trans | -82.4 | 108 | 175.6 | -118.8 | -83.9 | 0 | 0 | 0 | 109.6 | S15 H19 | N13-S15 PolarHBondContact O-N 3.16Å; N13-S15 VanDerWaalsContact O-N 3.16Å; N13-H19 PolarHBondContact O-NE2 3.42Å | ||
| 14 | L | 72.1 | Confident | 67.7 | Low | 17 Ų | 17 | 80.2 Ų | 80.2 | 9% | 0.089 | 48% | 0.482 | C | S | . | . | trans | -87.6 | 43.3 | 178.3 | -70.6 | 80.2 | 0 | 0 | 0 | 112.4 | W9 I12 I27 R31 M53 | W9-L14 HydrophobicContact CB-CD1 4.3Å; W9-L14 HydrophobicContact CD2-CD1 4.21Å; W9-L14 HydrophobicContact CD2-CD2 4.22Å; W9-L14 HydrophobicContact CE3-CB 4.45Å; W9-L14 HydrophobicContact CE3-CD1 3.29Å; W9-L14 HydrophobicContact CE3-CD2 3.29Å; W9-L14 HydrophobicContact CE3-CG 3.79Å; W9-L14 HydrophobicContact CH2-CD2 3.83Å; W9-L14 HydrophobicContact CZ3-CB 4.23Å; W9-L14 HydrophobicContact CZ3-CD1 3.9Å; W9-L14 HydrophobicContact CZ3-CD2 3.07Å; W9-L14 HydrophobicContact CZ3-CG 3.88Å; I12-L14 HydrophobicContact CB-CD1 4.5Å; I12-L14 WeakPolarHBondContact O-CD1 3.39Å; I12-L14 PolarHBondContact O-N 2.87Å; L14-I27 HydrophobicContact CB-CD1 4.33Å; L14-I27 HydrophobicContact CB-CG2 4.18Å; L14-I27 HydrophobicContact CD2-CB 4.41Å; L14-I27 HydrophobicContact CD2-CD1 4.29Å; L14-I27 HydrophobicContact CD2-CG1 3.96Å; L14-I27 HydrophobicContact CD2-CG2 3.77Å; L14-I27 HydrophobicContact CG-CD1 4.41Å; L14-R31 PolarHBondContact O-NH2 3.07Å; L14-M53 HydrophobicContact CD2-CE 4.41Å; L14-M53 HydrophobicContact CD2-SD 3.4Å; L14-M53 WeakPolarHBondContact CD2-SD 3.42Å | ||
| 15 | S | 77.1 | Confident | 70 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 24% | 0.238 | 48% | 0.48 | C | S | . | . | trans | -78.1 | 125.7 | 177.9 | -128.7 | 0 | 0 | 0 | 0 | 109 | N13 H17 L18 H19 | N13-S15 PolarHBondContact O-N 3.16Å; N13-S15 VanDerWaalsContact O-N 3.16Å; S15-H17 WeakPolarHBondContact CB-CE1 3.33Å; S15-H17 PolarHBondContact O-N 3.48Å; S15-H17 VanDerWaalsContact O-N 3.07Å; S15-H17 PolarHBondContact OG-CE1 2.92Å; S15-H17 PolarHBondContact OG-ND1 2.97Å; S15-L18 WeakPolarHBondContact O-CB 3.43Å; S15-L18 PolarHBondContact O-N 3.01Å; S15-H19 PolarHBondContact O-CD2 3.17Å; S15-H19 VanDerWaalsContact O-CD2 3.27Å | ||
| 16 | P | 72.1 | Confident | 72.3 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 47% | 0.474 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -64.1 | -20.4 | -170.4 | 22 | -31.8 | 0 | 0 | 0 | 113.8 | L18 N24 | P16-L18 VanDerWaalsContact C-N 3.28Å; P16-L18 PolarHBondContact O-N 2.69Å; P16-N24 VanDerWaalsContact CA-OD1 3.25Å; P16-N24 WeakPolarHBondContact CA-OD1 3.02Å; P16-N24 PolarHBondContact O-ND2 2.89Å; P16-N24 PolarHBondContact O-OD1 3.44Å |
| 17 | H | 76.8 | Confident | 74.2 | Confident | 151 Ų | 151 | 69.7 Ų | 69.7 | 70% | 0.699 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -76.5 | -12.3 | 176.1 | 63.3 | -98.3 | 0 | 0 | 0 | 113.9 | S15 | S15-H17 WeakPolarHBondContact CB-CE1 3.33Å; S15-H17 PolarHBondContact O-N 3.48Å; S15-H17 VanDerWaalsContact O-N 3.07Å; S15-H17 PolarHBondContact OG-CE1 2.92Å; S15-H17 PolarHBondContact OG-ND1 2.97Å |
| 18 | L | 79.8 | Confident | 76 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 45% | 0.445 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -94.6 | -13 | -175.2 | -155.8 | 71.4 | 0 | 0 | 0 | 113 | S15 P16 K64 | S15-L18 WeakPolarHBondContact O-CB 3.43Å; S15-L18 PolarHBondContact O-N 3.01Å; P16-L18 VanDerWaalsContact C-N 3.28Å; P16-L18 PolarHBondContact O-N 2.69Å; L18-K64 PolarHBondContact O-NZ 3.04Å |
| 19 | H | 80.8 | Confident | 77.7 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 11% | 0.111 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -118.4 | 155.2 | -171.7 | -58 | -60 | 0 | 0 | 0 | 111.1 | N13 S15 C23 N24 L57 E60 | N13-H19 PolarHBondContact O-NE2 3.42Å; S15-H19 PolarHBondContact O-CD2 3.17Å; S15-H19 VanDerWaalsContact O-CD2 3.27Å; H19-C23 HydrophobicContact CB-CB 4Å; H19-N24 WeakPolarHBondContact CB-OD1 3.1Å; H19-N24 PolarHBondContact O-ND2 3.48Å; H19-L57 WeakPolarHBondContact CE1-CD2 3.08Å; H19-L57 WeakPolarHBondContact ND1-CD2 3.29Å; H19-E60 VanDerWaalsContact CA-OE1 3.31Å; H19-E60 WeakPolarHBondContact CA-OE1 3.36Å; H19-E60 IonicContact CE1-OE2 3.38Å; H19-E60 IonicContact CG-OE2 3.56Å; H19-E60 IonicContact ND1-OE2 3.04Å; H19-E60 PolarHBondContact ND1-OE2 3.4Å |
| 20 | T | 86.3 | Confident | 79.1 | Confident | 67 Ų | 67 | 67.6 Ų | 67.6 | 41% | 0.411 | 40% | 0.396 | S | S | . | . | trans | -64.1 | 156.6 | 168.7 | 49.4 | 0 | 0 | 0 | 0 | 111.7 | E22 C23 N24 E60 | T20-E22 VanDerWaalsContact C-N 3.26Å; T20-E22 PolarHBondContact O-N 2.88Å; T20-C23 PolarHBondContact O-N 3.44Å; T20-C23 PolarHBondContact OG1-SG 2.93Å; T20-C23 VanDerWaalsContact OG1-SG 3.42Å; T20-N24 PolarHBondContact O-N 3.49Å; T20-N24 PolarHBondContact O-ND2 3.37Å; T20-E60 WeakPolarHBondContact CG2-OE1 3.49Å; T20-E60 PolarHBondContact N-OE1 2.96Å; T20-E60 PolarHBondContact OG1-OE1 3.49Å; T20-E60 VanDerWaalsContact OG1-OE1 3.12Å | ||
| 21 | D | 87 | Confident | 80.5 | Confident | 131 Ų | 131 | 69.1 Ų | 69.1 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.3 | -39.9 | -178.6 | -61 | -36 | 0 | 0 | 0 | 112.2 | C23 N24 E25 | D21-C23 PolarHBondContact O-N 2.98Å; D21-N24 WeakPolarHBondContact O-CB 3.37Å; D21-N24 PolarHBondContact O-N 3.34Å; D21-N24 VanDerWaalsContact O-N 3.12Å; D21-E25 PolarHBondContact O-N 3.22Å |
| 22 | E | 86.2 | Confident | 81.8 | Confident | 140 Ų | 140 | 70.7 Ų | 70.7 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60 | -43.8 | 175.7 | -61.3 | -174.3 | 167.4 | 0 | 0 | 112.6 | T20 N24 | T20-E22 VanDerWaalsContact C-N 3.26Å; T20-E22 PolarHBondContact O-N 2.88Å; E22-N24 VanDerWaalsContact C-N 3.33Å |
| 23 | C | 86.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.3 | -33.3 | 176.8 | -65.2 | 0 | 0 | 0 | 0 | 111.2 | H19 T20 D21 E25 L26 I27 C56 E60 | H19-C23 HydrophobicContact CB-CB 4Å; T20-C23 PolarHBondContact O-N 3.44Å; T20-C23 PolarHBondContact OG1-SG 2.93Å; T20-C23 VanDerWaalsContact OG1-SG 3.42Å; D21-C23 PolarHBondContact O-N 2.98Å; C23-E25 VanDerWaalsContact C-N 3.34Å; C23-E25 PolarHBondContact O-N 2.91Å; C23-L26 PolarHBondContact O-N 2.89Å; C23-I27 VanDerWaalsContact O-CG1 3.24Å; C23-I27 WeakPolarHBondContact O-CG1 3.35Å; C23-I27 PolarHBondContact O-N 3.26Å; C23-C56 WeakPolarHBondContact CA-SG 3.5Å; C23-C56 HydrophobicContact CB-CB 4.02Å; C23-C56 WeakPolarHBondContact CB-SG 3.19Å; C23-C56 WeakPolarHBondContact SG-CB 3.31Å; C23-C56 CovalentContact SG-SG 2.03Å; C23-C56 PolarHBondContact SG-SG 2.94Å; C23-E60 VanDerWaalsContact SG-CD 3.51Å |
| 24 | N | 87.4 | Confident | 83.2 | Confident | 26 Ų | 26 | 64.7 Ų | 64.7 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 178.5 | -74.6 | -31.9 | 0 | 0 | 0 | 113.1 | P16 H19 T20 D21 E22 I27 S28 | P16-N24 VanDerWaalsContact CA-OD1 3.25Å; P16-N24 WeakPolarHBondContact CA-OD1 3.02Å; P16-N24 PolarHBondContact O-ND2 2.89Å; P16-N24 PolarHBondContact O-OD1 3.44Å; H19-N24 WeakPolarHBondContact CB-OD1 3.1Å; H19-N24 PolarHBondContact O-ND2 3.48Å; T20-N24 PolarHBondContact O-N 3.49Å; T20-N24 PolarHBondContact O-ND2 3.37Å; D21-N24 WeakPolarHBondContact O-CB 3.37Å; D21-N24 PolarHBondContact O-N 3.34Å; D21-N24 VanDerWaalsContact O-N 3.12Å; E22-N24 VanDerWaalsContact C-N 3.33Å; N24-I27 PolarHBondContact O-N 3.33Å; N24-S28 WeakPolarHBondContact O-CB 3.22Å; N24-S28 PolarHBondContact O-N 3.49Å; N24-S28 PolarHBondContact O-OG 2.94Å |
| 25 | E | 89.3 | Confident | 83.7 | Confident | 135 Ų | 135 | 71.8 Ų | 71.8 | 63% | 0.631 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | 172.9 | -70.7 | -177.9 | 176.7 | 0 | 0 | 111.2 | D21 C23 I27 S28 L29 | D21-E25 PolarHBondContact O-N 3.22Å; C23-E25 VanDerWaalsContact C-N 3.34Å; C23-E25 PolarHBondContact O-N 2.91Å; E25-I27 PolarHBondContact O-N 3.38Å; E25-S28 WeakPolarHBondContact O-CB 3.44Å; E25-S28 PolarHBondContact O-N 3.43Å; E25-S28 VanDerWaalsContact O-N 3.14Å; E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 3.2Å |
| 26 | L | 87.7 | Confident | 84 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 23% | 0.225 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 177.9 | -65.8 | 173.3 | 0 | 0 | 0 | 112.6 | C23 S28 L29 L30 A52 M53 C56 | C23-L26 PolarHBondContact O-N 2.89Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 2.93Å; L26-L29 HydrophobicContact CD2-CD1 4.37Å; L26-L29 PolarHBondContact O-N 2.85Å; L26-L30 WeakPolarHBondContact O-CB 3.28Å; L26-L30 PolarHBondContact O-N 3.45Å; L26-A52 HydrophobicContact CD1-CB 4.13Å; L26-A52 HydrophobicContact CD2-CB 3.78Å; L26-M53 HydrophobicContact CB-CB 4.31Å; L26-C56 HydrophobicContact CD1-CB 3.81Å |
| 27 | I | 85.8 | Confident | 84.2 | Confident | 5 Ų | 5 | 76.8 Ų | 76.8 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 174.1 | -65.4 | 171.5 | 0 | 0 | 0 | 110.3 | L14 C23 N24 E25 L30 R31 M53 | L14-I27 HydrophobicContact CB-CD1 4.33Å; L14-I27 HydrophobicContact CB-CG2 4.18Å; L14-I27 HydrophobicContact CD2-CB 4.41Å; L14-I27 HydrophobicContact CD2-CD1 4.29Å; L14-I27 HydrophobicContact CD2-CG1 3.96Å; L14-I27 HydrophobicContact CD2-CG2 3.77Å; L14-I27 HydrophobicContact CG-CD1 4.41Å; C23-I27 VanDerWaalsContact O-CG1 3.24Å; C23-I27 WeakPolarHBondContact O-CG1 3.35Å; C23-I27 PolarHBondContact O-N 3.26Å; N24-I27 PolarHBondContact O-N 3.33Å; E25-I27 PolarHBondContact O-N 3.38Å; I27-L30 PolarHBondContact O-N 3.48Å; I27-R31 WeakPolarHBondContact O-CB 3.48Å; I27-R31 VanDerWaalsContact O-CG 3.32Å; I27-R31 WeakPolarHBondContact O-CG 3.48Å; I27-R31 PolarHBondContact O-N 3.12Å; I27-M53 HydrophobicContact CG1-CG 3.96Å; I27-M53 HydrophobicContact CG1-SD 4.13Å |
| 28 | S | 87.4 | Confident | 83.8 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 178.8 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | N24 E25 L26 R31 Q32 | N24-S28 WeakPolarHBondContact O-CB 3.22Å; N24-S28 PolarHBondContact O-N 3.49Å; N24-S28 PolarHBondContact O-OG 2.94Å; E25-S28 WeakPolarHBondContact O-CB 3.44Å; E25-S28 PolarHBondContact O-N 3.43Å; E25-S28 VanDerWaalsContact O-N 3.14Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 2.93Å; S28-R31 PolarHBondContact O-N 3.29Å; S28-Q32 WeakPolarHBondContact O-CG 3.35Å; S28-Q32 PolarHBondContact O-N 3.39Å |
| 29 | L | 86.9 | Confident | 83.2 | Confident | 92 Ų | 92 | 75.8 Ų | 75.8 | 48% | 0.482 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 173.3 | -76 | 166.5 | 0 | 0 | 0 | 111.9 | E25 L26 R31 Q32 C33 | E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 3.2Å; L26-L29 HydrophobicContact CD2-CD1 4.37Å; L26-L29 PolarHBondContact O-N 2.85Å; L29-R31 PolarHBondContact O-N 3.19Å; L29-Q32 PolarHBondContact O-N 2.89Å; L29-C33 WeakPolarHBondContact O-CB 3.32Å; L29-C33 PolarHBondContact O-N 3.15Å |
| 30 | L | 85.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.7 | -174.3 | 63.6 | 0 | 0 | 0 | 111.5 | W9 L26 I27 Q32 C33 H34 C46 A49 D50 M53 | W9-L30 HydrophobicContact CH2-CD2 4.08Å; W9-L30 HydrophobicContact CH2-CG 4.42Å; W9-L30 HydrophobicContact CZ2-CD2 3.51Å; W9-L30 HydrophobicContact CZ2-CG 3.86Å; L26-L30 WeakPolarHBondContact O-CB 3.28Å; L26-L30 PolarHBondContact O-N 3.45Å; I27-L30 PolarHBondContact O-N 3.48Å; L30-Q32 VanDerWaalsContact C-N 3.33Å; L30-Q32 PolarHBondContact O-N 3.29Å; L30-C33 PolarHBondContact O-N 3Å; L30-H34 WeakPolarHBondContact CD1-NE2 3.45Å; L30-H34 PolarHBondContact O-CD2 2.87Å; L30-H34 PolarHBondContact O-N 2.95Å; L30-C46 HydrophobicContact CD1-CB 3.96Å; L30-A49 HydrophobicContact CB-CB 4.41Å; L30-A49 HydrophobicContact CD1-CB 3.99Å; L30-D50 HydrophobicContact CD1-CB 4.04Å; L30-D50 HydrophobicContact CD2-CB 4.44Å; L30-M53 HydrophobicContact CD2-CE 3.57Å; L30-M53 HydrophobicContact CD2-SD 3.4Å; L30-M53 WeakPolarHBondContact CD2-SD 3.47Å |
| 31 | R | 83.8 | Confident | 81.2 | Confident | 105 Ų | 105 | 79.2 Ų | 79.2 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 174.8 | -76.1 | 175.8 | 177.2 | -168.2 | 0.7 | 112.2 | W9 L14 I27 S28 L29 H34 K35 | W9-R31 HydrophobicContact CH2-CG 4.13Å; L14-R31 PolarHBondContact O-NH2 3.07Å; I27-R31 WeakPolarHBondContact O-CB 3.48Å; I27-R31 VanDerWaalsContact O-CG 3.32Å; I27-R31 WeakPolarHBondContact O-CG 3.48Å; I27-R31 PolarHBondContact O-N 3.12Å; S28-R31 PolarHBondContact O-N 3.29Å; L29-R31 PolarHBondContact O-N 3.19Å; R31-H34 PolarHBondContact O-N 3.42Å; R31-K35 VanDerWaalsContact O-CB 3.27Å; R31-K35 WeakPolarHBondContact O-CB 3.4Å; R31-K35 PolarHBondContact O-N 3Å |
| 32 | Q | 85.6 | Confident | 79.9 | Confident | 120 Ų | 120 | 81 Ų | 81 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.9 | -47.2 | 175.9 | -74.8 | 173.3 | 4.4 | 0 | 0 | 111.1 | S28 L29 L30 H34 K35 E36 | S28-Q32 WeakPolarHBondContact O-CG 3.35Å; S28-Q32 PolarHBondContact O-N 3.39Å; L29-Q32 PolarHBondContact O-N 2.89Å; L30-Q32 VanDerWaalsContact C-N 3.33Å; L30-Q32 PolarHBondContact O-N 3.29Å; Q32-H34 VanDerWaalsContact C-N 3.32Å; Q32-H34 PolarHBondContact O-N 3Å; Q32-K35 WeakPolarHBondContact O-CB 3.39Å; Q32-K35 PolarHBondContact O-N 2.91Å; Q32-E36 WeakPolarHBondContact O-CB 3.49Å; Q32-E36 PolarHBondContact O-N 3.01Å |
| 33 | C | 84.6 | Confident | 79 | Confident | 29 Ų | 29 | 82.6 Ų | 82.6 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 177.4 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | L29 L30 E36 H37 C46 | L29-C33 WeakPolarHBondContact O-CB 3.32Å; L29-C33 PolarHBondContact O-N 3.15Å; L30-C33 PolarHBondContact O-N 3Å; C33-E36 PolarHBondContact O-N 3.31Å; C33-H37 VanDerWaalsContact O-CB 3.25Å; C33-H37 WeakPolarHBondContact O-CB 3.3Å; C33-H37 PolarHBondContact O-N 3.28Å; C33-C46 VanDerWaalsContact C-SG 3.55Å; C33-C46 HydrophobicContact CB-CB 3.88Å; C33-C46 WeakPolarHBondContact CB-SG 3.31Å; C33-C46 VanDerWaalsContact SG-CA 3.56Å; C33-C46 WeakPolarHBondContact SG-CB 3.43Å; C33-C46 CovalentContact SG-SG 2.03Å; C33-C46 PolarHBondContact SG-SG 3.06Å |
| 34 | H | 79.7 | Confident | 78.2 | Confident | 23 Ų | 23 | 83.7 Ų | 83.7 | 11% | 0.106 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 177.4 | -73.7 | -164.4 | 0 | 0 | 0 | 113 | E7 W9 L30 R31 Q32 H37 N38 C46 | E7-H34 IonicContact OE1-CE1 2.77Å; E7-H34 IonicContact OE1-CG 2.85Å; E7-H34 IonicContact OE1-ND1 2.87Å; E7-H34 PolarHBondContact OE1-ND1 3.41Å; E7-H34 IonicContact OE2-CE1 3.52Å; E7-H34 IonicContact OE2-ND1 2.99Å; E7-H34 PolarHBondContact OE2-ND1 3.06Å; W9-H34 AromaticContact CE2-CE1 3.91Å; W9-H34 AromaticContact CZ2-CE1 3.69Å; W9-H34 AromaticContact CZ2-ND1 3.58Å; W9-H34 AromaticContact NE1-CE1 3.5Å; L30-H34 WeakPolarHBondContact CD1-NE2 3.45Å; L30-H34 PolarHBondContact O-CD2 2.87Å; L30-H34 PolarHBondContact O-N 2.95Å; R31-H34 PolarHBondContact O-N 3.42Å; Q32-H34 VanDerWaalsContact C-N 3.32Å; Q32-H34 PolarHBondContact O-N 3Å; H34-H37 CarbonylContact O-C 3.44Å; H34-H37 PolarHBondContact O-N 3Å; H34-N38 WeakPolarHBondContact O-CA 3.36Å; H34-N38 PolarHBondContact O-N 3.12Å; H34-N38 VanDerWaalsContact O-N 3.13Å; H34-N38 PolarHBondContact O-OD1 3.06Å; H34-C46 VanDerWaalsContact CD2-SG 3.6Å |
| 35 | K | 82.8 | Confident | 77.6 | Confident | 166 Ų | 166 | 85.8 Ų | 85.8 | 72% | 0.722 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 176.3 | -174.3 | 179.3 | -178.2 | -179.1 | 0 | 111.7 | R31 Q32 N38 | R31-K35 VanDerWaalsContact O-CB 3.27Å; R31-K35 WeakPolarHBondContact O-CB 3.4Å; R31-K35 PolarHBondContact O-N 3Å; Q32-K35 WeakPolarHBondContact O-CB 3.39Å; Q32-K35 PolarHBondContact O-N 2.91Å; K35-N38 PolarHBondContact O-ND2 3.45Å; K35-N38 VanDerWaalsContact O-ND2 3.13Å |
| 36 | E | 82.8 | Confident | 77.1 | Confident | 156 Ų | 156 | 79.7 Ų | 79.7 | 73% | 0.729 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -74.9 | -36.6 | 179.7 | -153.3 | 167.5 | 117.2 | 0 | 0 | 111.5 | Q32 C33 | Q32-E36 WeakPolarHBondContact O-CB 3.49Å; Q32-E36 PolarHBondContact O-N 3.01Å; C33-E36 PolarHBondContact O-N 3.31Å |
| 37 | H | 76 | Confident | 76.8 | Confident | 56 Ų | 56 | 82.3 Ų | 82.3 | 26% | 0.259 | 41% | 0.411 | S | S | . | . | trans | -115.7 | 47 | -172.7 | -67.3 | -70.1 | 0 | 0 | 0 | 113.7 | C33 H34 V39 M40 K41 | C33-H37 VanDerWaalsContact O-CB 3.25Å; C33-H37 WeakPolarHBondContact O-CB 3.3Å; C33-H37 PolarHBondContact O-N 3.28Å; H34-H37 CarbonylContact O-C 3.44Å; H34-H37 PolarHBondContact O-N 3Å; H37-V39 PolarHBondContact O-N 3.05Å; H37-M40 HydrophobicContact CB-CB 4.02Å; H37-M40 CarbonylContact O-C 3.57Å; H37-M40 PolarHBondContact O-N 3Å; H37-K41 PolarHBondContact O-N 3.27Å | ||
| 38 | N | 67.8 | Low | 76.6 | Confident | 95 Ų | 95 | 88.3 Ų | 88.3 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -32.7 | -175.5 | -94.7 | -54.7 | 0 | 0 | 0 | 115.4 | H34 K35 K41 | H34-N38 WeakPolarHBondContact O-CA 3.36Å; H34-N38 PolarHBondContact O-N 3.12Å; H34-N38 VanDerWaalsContact O-N 3.13Å; H34-N38 PolarHBondContact O-OD1 3.06Å; K35-N38 PolarHBondContact O-ND2 3.45Å; K35-N38 VanDerWaalsContact O-ND2 3.13Å; N38-K41 VanDerWaalsContact O-CD 3.24Å; N38-K41 WeakPolarHBondContact O-CD 3.41Å; N38-K41 VanDerWaalsContact O-CE 3.22Å; N38-K41 WeakPolarHBondContact O-CE 3.32Å; N38-K41 WeakPolarHBondContact O-CG 3.37Å |
| 39 | V | 66.9 | Low | 76.5 | Confident | 119 Ų | 119 | 86.7 Ų | 86.7 | 72% | 0.721 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -32.2 | 176 | -103 | 0 | 0 | 0 | 0 | 113 | H37 K41 | H37-V39 PolarHBondContact O-N 3.05Å; V39-K41 VanDerWaalsContact C-N 3.26Å; V39-K41 PolarHBondContact O-N 2.97Å |
| 40 | M | 63.6 | Low | 76.3 | Confident | 96 Ų | 96 | 83.1 Ų | 83.1 | 47% | 0.473 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -81.6 | -2.3 | 179.8 | -68.1 | 178.7 | -171 | 0 | 0 | 113.5 | H37 F42 F43 G44 T45 | H37-M40 HydrophobicContact CB-CB 4.02Å; H37-M40 CarbonylContact O-C 3.57Å; H37-M40 PolarHBondContact O-N 3Å; M40-F42 PolarHBondContact O-N 3.43Å; M40-F43 PolarHBondContact O-N 3.07Å; M40-G44 PolarHBondContact O-N 2.03Å; M40-T45 PolarHBondContact O-OG1 3.27Å |
| 41 | K | 61.6 | Low | 76.4 | Confident | 67 Ų | 67 | 92 Ų | 92 | 29% | 0.291 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -56.4 | -32.3 | 169.2 | 71.2 | -175.3 | 179.3 | -178.7 | 0 | 112.8 | H37 N38 V39 F43 | H37-K41 PolarHBondContact O-N 3.27Å; N38-K41 VanDerWaalsContact O-CD 3.24Å; N38-K41 WeakPolarHBondContact O-CD 3.41Å; N38-K41 VanDerWaalsContact O-CE 3.22Å; N38-K41 WeakPolarHBondContact O-CE 3.32Å; N38-K41 WeakPolarHBondContact O-CG 3.37Å; V39-K41 VanDerWaalsContact C-N 3.26Å; V39-K41 PolarHBondContact O-N 2.97Å; K41-F43 VanDerWaalsContact C-N 3.31Å |
| 42 | F | 61.4 | Low | 76.6 | Confident | 168 Ų | 168 | 88.9 Ų | 88.9 | 74% | 0.737 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -78.4 | -15.6 | 176.2 | -61.3 | -73.6 | 0 | 0 | 0 | 113.4 | M40 | M40-F42 PolarHBondContact O-N 3.43Š|
| 43 | F | 66.7 | Low | 76.6 | Confident | 174 Ų | 174 | 83.5 Ų | 83.5 | 76% | 0.763 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -93.6 | -0.8 | 179.2 | -75 | -87.7 | 0 | 0 | 0 | 113.2 | M40 K41 | M40-F43 PolarHBondContact O-N 3.07Å; K41-F43 VanDerWaalsContact C-N 3.31Å |
| 44 | G | 70.4 | Confident | 76.7 | Confident | 24 Ų | 24 | 88.9 Ų | 88.9 | 25% | 0.247 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 16.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | M40 C46 N47 | M40-G44 PolarHBondContact O-N 2.03Å; G44-C46 PolarHBondContact O-N 3.48Å; G44-N47 VanDerWaalsContact O-CB 3.25Å; G44-N47 WeakPolarHBondContact O-CB 3.22Å; G44-N47 PolarHBondContact O-N 2.77Å; G44-N47 VanDerWaalsContact O-N 3.13Å; G44-N47 PolarHBondContact O-ND2 2.86Å |
| 45 | T | 73.9 | Confident | 77.2 | Confident | 70 Ų | 70 | 94.2 Ų | 94.2 | 43% | 0.429 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -31.1 | -179.4 | -51.7 | 0 | 0 | 0 | 0 | 112.9 | M40 | M40-T45 PolarHBondContact O-OG1 3.27Š|
| 46 | C | 78.8 | Confident | 77.5 | Confident | 8 Ų | 8 | 87 Ų | 87 | 5% | 0.054 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 16.1 | -179.1 | -53 | 0 | 0 | 0 | 0 | 113.4 | L30 C33 H34 G44 D48 A49 D50 | L30-C46 HydrophobicContact CD1-CB 3.96Å; C33-C46 VanDerWaalsContact C-SG 3.55Å; C33-C46 HydrophobicContact CB-CB 3.88Å; C33-C46 WeakPolarHBondContact CB-SG 3.31Å; C33-C46 VanDerWaalsContact SG-CA 3.56Å; C33-C46 WeakPolarHBondContact SG-CB 3.43Å; C33-C46 CovalentContact SG-SG 2.03Å; C33-C46 PolarHBondContact SG-SG 3.06Å; H34-C46 VanDerWaalsContact CD2-SG 3.6Å; G44-C46 PolarHBondContact O-N 3.48Å; C46-D48 VanDerWaalsContact C-N 3.3Å; C46-D48 PolarHBondContact O-N 3.47Å; C46-A49 PolarHBondContact O-N 3.3Å; C46-D50 PolarHBondContact O-N 3.02Å |
| 47 | N | 80.4 | Confident | 77.6 | Confident | 97 Ų | 97 | 80 Ų | 80 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62 | -32.8 | -175.6 | -94.8 | -23.9 | 0 | 0 | 0 | 113.9 | G44 R51 | G44-N47 VanDerWaalsContact O-CB 3.25Å; G44-N47 WeakPolarHBondContact O-CB 3.22Å; G44-N47 PolarHBondContact O-N 2.77Å; G44-N47 VanDerWaalsContact O-N 3.13Å; G44-N47 PolarHBondContact O-ND2 2.86Å; N47-R51 VanDerWaalsContact O-CB 3.24Å; N47-R51 WeakPolarHBondContact O-CB 3.24Å; N47-R51 PolarHBondContact O-N 2.9Å |
| 48 | D | 83.6 | Confident | 78.2 | Confident | 132 Ų | 132 | 83.7 Ų | 83.7 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.6 | -43.7 | -179.8 | -68.1 | -35.2 | 0 | 0 | 0 | 111.3 | C46 R51 A52 | C46-D48 VanDerWaalsContact C-N 3.3Å; C46-D48 PolarHBondContact O-N 3.47Å; D48-R51 PolarHBondContact O-N 3.22Å; D48-A52 PolarHBondContact O-N 2.94Å |
| 49 | A | 83.3 | Confident | 79.3 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 19% | 0.19 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L30 C46 R51 A52 M53 | L30-A49 HydrophobicContact CB-CB 4.41Å; L30-A49 HydrophobicContact CD1-CB 3.99Å; C46-A49 PolarHBondContact O-N 3.3Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.34Å; A49-A52 PolarHBondContact O-N 3.47Å; A49-M53 WeakPolarHBondContact O-CB 3.3Å; A49-M53 PolarHBondContact O-N 3.36Å |
| 50 | D | 82.9 | Confident | 80.3 | Confident | 17 Ų | 17 | 79.5 Ų | 79.5 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.9 | 172.3 | 83.2 | 0 | 0 | 0 | 111.5 | L30 C46 M53 R54 | L30-D50 HydrophobicContact CD1-CB 4.04Å; L30-D50 HydrophobicContact CD2-CB 4.44Å; C46-D50 PolarHBondContact O-N 3.02Å; D50-M53 PolarHBondContact O-N 3.25Å; D50-R54 VanDerWaalsContact CG-NE 3.31Å; D50-R54 WeakPolarHBondContact O-CB 3.41Å; D50-R54 VanDerWaalsContact O-CG 3.26Å; D50-R54 WeakPolarHBondContact O-CG 3.1Å; D50-R54 PolarHBondContact O-N 2.77Å; D50-R54 IonicContact OD1-CZ 2.87Å; D50-R54 IonicContact OD1-NE 3.56Å; D50-R54 PolarHBondContact OD1-NE 3Å; D50-R54 IonicContact OD1-NH2 3.02Å; D50-R54 PolarHBondContact OD1-NH2 3.38Å; D50-R54 WeakPolarHBondContact OD2-CD 3.5Å; D50-R54 IonicContact OD2-CZ 3.02Å; D50-R54 IonicContact OD2-NE 3.9Å; D50-R54 PolarHBondContact OD2-NE 3.32Å; D50-R54 IonicContact OD2-NH1 3.85Å; D50-R54 IonicContact OD2-NH2 3.85Å; D50-R54 PolarHBondContact OD2-NH2 3.46Å |
| 51 | R | 86.9 | Confident | 81.5 | Confident | 188 Ų | 188 | 81.5 Ų | 81.5 | 71% | 0.709 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 175.8 | -179.4 | 179.8 | -69.8 | -101.2 | 0.4 | 111.7 | N47 D48 A49 R54 H55 | N47-R51 VanDerWaalsContact O-CB 3.24Å; N47-R51 WeakPolarHBondContact O-CB 3.24Å; N47-R51 PolarHBondContact O-N 2.9Å; D48-R51 PolarHBondContact O-N 3.22Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.34Å; R51-R54 PolarHBondContact O-N 3.46Å; R51-H55 WeakPolarHBondContact O-CB 3.34Å; R51-H55 PolarHBondContact O-N 3.21Å |
| 52 | A | 88.4 | Confident | 82.9 | Confident | 38 Ų | 38 | 83 Ų | 83 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | L26 D48 A49 R54 H55 C56 | L26-A52 HydrophobicContact CD1-CB 4.13Å; L26-A52 HydrophobicContact CD2-CB 3.78Å; D48-A52 PolarHBondContact O-N 2.94Å; A49-A52 PolarHBondContact O-N 3.47Å; A52-R54 PolarHBondContact O-N 2.87Å; A52-H55 WeakPolarHBondContact O-CB 3.11Å; A52-H55 PolarHBondContact O-N 2.87Å; A52-C56 PolarHBondContact O-N 3.42Å |
| 53 | M | 86.8 | Confident | 84.3 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 3% | 0.034 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.7 | -50.4 | 176.5 | -179.2 | -161.4 | 66.8 | 0 | 0 | 111.4 | L14 L26 I27 L30 A49 D50 H55 C56 L57 | L14-M53 HydrophobicContact CD2-CE 4.41Å; L14-M53 HydrophobicContact CD2-SD 3.4Å; L14-M53 WeakPolarHBondContact CD2-SD 3.42Å; L26-M53 HydrophobicContact CB-CB 4.31Å; I27-M53 HydrophobicContact CG1-CG 3.96Å; I27-M53 HydrophobicContact CG1-SD 4.13Å; L30-M53 HydrophobicContact CD2-CE 3.57Å; L30-M53 HydrophobicContact CD2-SD 3.4Å; L30-M53 WeakPolarHBondContact CD2-SD 3.47Å; A49-M53 WeakPolarHBondContact O-CB 3.3Å; A49-M53 PolarHBondContact O-N 3.36Å; D50-M53 PolarHBondContact O-N 3.25Å; M53-H55 VanDerWaalsContact C-N 3.26Å; M53-H55 PolarHBondContact O-N 2.85Å; M53-C56 WeakPolarHBondContact O-CB 3.44Å; M53-C56 PolarHBondContact O-N 2.84Å; M53-C56 VanDerWaalsContact O-N 3.15Å; M53-L57 HydrophobicContact CE-CD1 4.34Å; M53-L57 HydrophobicContact CG-CD1 3.82Å; M53-L57 HydrophobicContact CG-CG 4.29Å; M53-L57 VanDerWaalsContact O-CG 3.29Å; M53-L57 WeakPolarHBondContact O-CG 3.31Å; M53-L57 PolarHBondContact O-N 3.45Å; M53-L57 HydrophobicContact SD-CD1 4.24Å |
| 54 | R | 86.1 | Confident | 85.4 | Confident | 142 Ų | 142 | 76.4 Ų | 76.4 | 54% | 0.536 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.4 | -37.6 | 178.7 | -75.6 | 177.7 | -170.6 | -177.6 | 10.1 | 112.3 | D50 R51 A52 K58 | D50-R54 VanDerWaalsContact CG-NE 3.31Å; D50-R54 WeakPolarHBondContact O-CB 3.41Å; D50-R54 VanDerWaalsContact O-CG 3.26Å; D50-R54 WeakPolarHBondContact O-CG 3.1Å; D50-R54 PolarHBondContact O-N 2.77Å; D50-R54 IonicContact OD1-CZ 2.87Å; D50-R54 IonicContact OD1-NE 3.56Å; D50-R54 PolarHBondContact OD1-NE 3Å; D50-R54 IonicContact OD1-NH2 3.02Å; D50-R54 PolarHBondContact OD1-NH2 3.38Å; D50-R54 WeakPolarHBondContact OD2-CD 3.5Å; D50-R54 IonicContact OD2-CZ 3.02Å; D50-R54 IonicContact OD2-NE 3.9Å; D50-R54 PolarHBondContact OD2-NE 3.32Å; D50-R54 IonicContact OD2-NH1 3.85Å; D50-R54 IonicContact OD2-NH2 3.85Å; D50-R54 PolarHBondContact OD2-NH2 3.46Å; R51-R54 PolarHBondContact O-N 3.46Å; A52-R54 PolarHBondContact O-N 2.87Å; R54-K58 WeakPolarHBondContact O-CB 3.2Å; R54-K58 PolarHBondContact O-N 3.44Å |
| 55 | H | 89.3 | Confident | 86.4 | Confident | 135 Ų | 135 | 84.1 Ų | 84.1 | 63% | 0.625 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.7 | -47.4 | 175.9 | -173 | 84.9 | 0 | 0 | 0 | 111.2 | R51 A52 M53 K58 K59 | R51-H55 WeakPolarHBondContact O-CB 3.34Å; R51-H55 PolarHBondContact O-N 3.21Å; A52-H55 WeakPolarHBondContact O-CB 3.11Å; A52-H55 PolarHBondContact O-N 2.87Å; M53-H55 VanDerWaalsContact C-N 3.26Å; M53-H55 PolarHBondContact O-N 2.85Å; H55-K58 PolarHBondContact O-N 3.44Å; H55-K59 PolarHBondContact O-N 2.88Å |
| 56 | C | 89.9 | Confident | 87.4 | Confident | 16 Ų | 16 | 85.7 Ų | 85.7 | 11% | 0.108 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 178.6 | -156.2 | 0 | 0 | 0 | 0 | 111.5 | C23 L26 A52 M53 K58 K59 E60 | C23-C56 WeakPolarHBondContact CA-SG 3.5Å; C23-C56 HydrophobicContact CB-CB 4.02Å; C23-C56 WeakPolarHBondContact CB-SG 3.19Å; C23-C56 WeakPolarHBondContact SG-CB 3.31Å; C23-C56 CovalentContact SG-SG 2.03Å; C23-C56 PolarHBondContact SG-SG 2.94Å; L26-C56 HydrophobicContact CD1-CB 3.81Å; A52-C56 PolarHBondContact O-N 3.42Å; M53-C56 WeakPolarHBondContact O-CB 3.44Å; M53-C56 PolarHBondContact O-N 2.84Å; M53-C56 VanDerWaalsContact O-N 3.15Å; C56-K58 VanDerWaalsContact C-N 3.29Å; C56-K58 PolarHBondContact O-N 3.14Å; C56-K59 WeakPolarHBondContact O-CB 3.24Å; C56-K59 PolarHBondContact O-N 3.49Å; C56-K59 VanDerWaalsContact O-N 3.07Å; C56-E60 PolarHBondContact O-N 2.96Å |
| 57 | L | 85.2 | Confident | 88.1 | Confident | 8 Ų | 8 | 94.8 Ų | 94.8 | 4% | 0.042 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 178.8 | -65.8 | 176.9 | 0 | 0 | 0 | 112.9 | I12 H19 M53 R61 | I12-L57 HydrophobicContact CG2-CD1 4.16Å; H19-L57 WeakPolarHBondContact CE1-CD2 3.08Å; H19-L57 WeakPolarHBondContact ND1-CD2 3.29Å; M53-L57 HydrophobicContact CE-CD1 4.34Å; M53-L57 HydrophobicContact CG-CD1 3.82Å; M53-L57 HydrophobicContact CG-CG 4.29Å; M53-L57 VanDerWaalsContact O-CG 3.29Å; M53-L57 WeakPolarHBondContact O-CG 3.31Å; M53-L57 PolarHBondContact O-N 3.45Å; M53-L57 HydrophobicContact SD-CD1 4.24Å; L57-R61 WeakPolarHBondContact O-CB 3.48Å; L57-R61 PolarHBondContact O-N 3.07Å |
| 58 | K | 88.6 | Confident | 88.6 | Confident | 133 Ų | 133 | 94 Ų | 94 | 58% | 0.578 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.8 | -42.7 | 175.7 | -176.1 | 177.9 | -179.7 | -178.2 | 0 | 110.9 | R54 H55 C56 R61 L62 | R54-K58 WeakPolarHBondContact O-CB 3.2Å; R54-K58 PolarHBondContact O-N 3.44Å; H55-K58 PolarHBondContact O-N 3.44Å; C56-K58 VanDerWaalsContact C-N 3.29Å; C56-K58 PolarHBondContact O-N 3.14Å; K58-R61 PolarHBondContact O-N 3.16Å; K58-L62 HydrophobicContact CG-CD1 4.28Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.44Å; K58-L62 PolarHBondContact O-N 3.27Å |
| 59 | K | 90.3 | Very high | 89.1 | Confident | 112 Ų | 112 | 94 Ų | 94 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.3 | -51 | 177.2 | -173.7 | -176 | 173.6 | -168 | 0 | 110.9 | H55 C56 R61 L62 E63 | H55-K59 PolarHBondContact O-N 2.88Å; C56-K59 WeakPolarHBondContact O-CB 3.24Å; C56-K59 PolarHBondContact O-N 3.49Å; C56-K59 VanDerWaalsContact O-N 3.07Å; K59-R61 VanDerWaalsContact C-N 3.29Å; K59-R61 PolarHBondContact O-N 3.35Å; K59-L62 WeakPolarHBondContact O-CB 3.26Å; K59-L62 PolarHBondContact O-N 3.07Å; K59-E63 VanDerWaalsContact CE-OE1 3.22Å; K59-E63 WeakPolarHBondContact CE-OE1 3.25Å; K59-E63 WeakPolarHBondContact O-CG 3.44Å; K59-E63 PolarHBondContact O-N 3.4Å |
| 60 | E | 88.6 | Confident | 89.7 | Confident | 15 Ų | 15 | 98.3 Ų | 98.3 | 7% | 0.07 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 177.7 | -71.4 | -168 | 114.6 | 0 | 0 | 112.6 | H19 T20 C23 C56 L62 E63 K64 | H19-E60 VanDerWaalsContact CA-OE1 3.31Å; H19-E60 WeakPolarHBondContact CA-OE1 3.36Å; H19-E60 IonicContact CE1-OE2 3.38Å; H19-E60 IonicContact CG-OE2 3.56Å; H19-E60 IonicContact ND1-OE2 3.04Å; H19-E60 PolarHBondContact ND1-OE2 3.4Å; T20-E60 WeakPolarHBondContact CG2-OE1 3.49Å; T20-E60 PolarHBondContact N-OE1 2.96Å; T20-E60 PolarHBondContact OG1-OE1 3.49Å; T20-E60 VanDerWaalsContact OG1-OE1 3.12Å; C23-E60 VanDerWaalsContact SG-CD 3.51Å; C56-E60 PolarHBondContact O-N 2.96Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 2.96Å; E60-E63 PolarHBondContact O-N 3.07Å; E60-K64 WeakPolarHBondContact O-CB 3.44Å; E60-K64 WeakPolarHBondContact O-CG 3.48Å; E60-K64 PolarHBondContact O-N 2.85Å |
| 61 | R | 88.2 | Confident | 90.2 | Very high | 138 Ų | 138 | 102.9 Ų | 102.9 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 177.6 | -175.3 | -178 | -65.1 | 142.1 | 1.1 | 111.6 | I12 L57 K58 K59 R65 | I12-R61 VanDerWaalsContact CD1-NH2 3.35Å; L57-R61 WeakPolarHBondContact O-CB 3.48Å; L57-R61 PolarHBondContact O-N 3.07Å; K58-R61 PolarHBondContact O-N 3.16Å; K59-R61 VanDerWaalsContact C-N 3.29Å; K59-R61 PolarHBondContact O-N 3.35Å; R61-R65 WeakPolarHBondContact O-CB 3.44Å; R61-R65 PolarHBondContact O-N 3.02Å |
| 62 | L | 91.7 | Very high | 90.5 | Very high | 97 Ų | 97 | 95.9 Ų | 95.9 | 51% | 0.508 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 177.9 | -71 | 172.1 | 0 | 0 | 0 | 111.3 | K58 K59 E60 R65 E66 | K58-L62 HydrophobicContact CG-CD1 4.28Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.44Å; K58-L62 PolarHBondContact O-N 3.27Å; K59-L62 WeakPolarHBondContact O-CB 3.26Å; K59-L62 PolarHBondContact O-N 3.07Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 2.96Å; L62-R65 WeakPolarHBondContact O-CB 3.45Å; L62-R65 PolarHBondContact O-N 2.99Å; L62-E66 PolarHBondContact O-N 3.24Å |
| 63 | E | 91.3 | Very high | 90.8 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 177.3 | -70.7 | 177.1 | 175.4 | 0 | 0 | 112 | K59 E60 R65 E66 R67 | K59-E63 VanDerWaalsContact CE-OE1 3.22Å; K59-E63 WeakPolarHBondContact CE-OE1 3.25Å; K59-E63 WeakPolarHBondContact O-CG 3.44Å; K59-E63 PolarHBondContact O-N 3.4Å; E60-E63 PolarHBondContact O-N 3.07Å; E63-R65 VanDerWaalsContact C-N 3.31Å; E63-R65 PolarHBondContact O-N 3.34Å; E63-E66 PolarHBondContact O-N 3.13Å; E63-R67 WeakPolarHBondContact O-CB 3.4Å; E63-R67 PolarHBondContact O-N 2.99Å |
| 64 | K | 89 | Confident | 91.1 | Very high | 110 Ų | 110 | 103.4 Ų | 103.4 | 48% | 0.478 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 174 | -75.2 | 176.5 | -178.6 | 172.5 | 0 | 111.2 | L18 E60 S68 | L18-K64 PolarHBondContact O-NZ 3.04Å; E60-K64 WeakPolarHBondContact O-CB 3.44Å; E60-K64 WeakPolarHBondContact O-CG 3.48Å; E60-K64 PolarHBondContact O-N 2.85Å; K64-S68 WeakPolarHBondContact O-CB 3.17Å; K64-S68 PolarHBondContact O-N 2.93Å |
| 65 | R | 91.8 | Very high | 91.3 | Very high | 187 Ų | 187 | 100.2 Ų | 100.2 | 71% | 0.706 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65 | -41.7 | 177.3 | -172.9 | 178.8 | -173.3 | 179.2 | 3.1 | 111.9 | R61 L62 E63 S68 K69 | R61-R65 WeakPolarHBondContact O-CB 3.44Å; R61-R65 PolarHBondContact O-N 3.02Å; L62-R65 WeakPolarHBondContact O-CB 3.45Å; L62-R65 PolarHBondContact O-N 2.99Å; E63-R65 VanDerWaalsContact C-N 3.31Å; E63-R65 PolarHBondContact O-N 3.34Å; R65-S68 PolarHBondContact O-N 3.35Å; R65-K69 WeakPolarHBondContact O-CB 3.25Å; R65-K69 PolarHBondContact O-N 3.3Å |
| 66 | E | 94.5 | Very high | 91.4 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 48% | 0.477 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 177.8 | -168.2 | -169.6 | 159.8 | 0 | 0 | 111.3 | L62 E63 S68 K69 K70 | L62-E66 PolarHBondContact O-N 3.24Å; E63-E66 PolarHBondContact O-N 3.13Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 2.95Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 2.91Å; E66-K70 WeakPolarHBondContact O-CG 3.49Å; E66-K70 PolarHBondContact O-N 3.28Å; E66-K70 WeakPolarHBondContact OE1-CE 3.4Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 2.97Å |
| 67 | R | 92.8 | Very high | 91.5 | Very high | 200 Ų | 200 | 108.3 Ų | 108.3 | 76% | 0.755 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.8 | -45.3 | 175.9 | -170.7 | -176.1 | -62.5 | -162 | 0.9 | 111.5 | E63 K69 K70 H71 | E63-R67 WeakPolarHBondContact O-CB 3.4Å; E63-R67 PolarHBondContact O-N 2.99Å; R67-K69 VanDerWaalsContact C-N 3.33Å; R67-K69 PolarHBondContact O-N 2.78Å; R67-K70 PolarHBondContact O-N 3.08Å; R67-H71 WeakPolarHBondContact O-CB 3.47Å; R67-H71 PolarHBondContact O-N 3.48Å |
| 68 | S | 91.9 | Very high | 91.6 | Very high | 80 Ų | 80 | 116.4 Ų | 116.4 | 56% | 0.559 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -41.3 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | K64 R65 E66 H71 A72 | K64-S68 WeakPolarHBondContact O-CB 3.17Å; K64-S68 PolarHBondContact O-N 2.93Å; R65-S68 PolarHBondContact O-N 3.35Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 2.95Å; S68-H71 PolarHBondContact O-N 2.91Å; S68-A72 VanDerWaalsContact O-CB 3.31Å; S68-A72 WeakPolarHBondContact O-CB 3.08Å; S68-A72 PolarHBondContact O-N 2.87Å |
| 69 | K | 94.8 | Very high | 91.6 | Very high | 132 Ų | 132 | 116.4 Ų | 116.4 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -47.7 | 175.7 | -175.6 | -179 | 172 | -173 | 0 | 111.9 | R65 E66 R67 H71 A72 E73 | R65-K69 WeakPolarHBondContact O-CB 3.25Å; R65-K69 PolarHBondContact O-N 3.3Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 2.91Å; R67-K69 VanDerWaalsContact C-N 3.33Å; R67-K69 PolarHBondContact O-N 2.78Å; K69-H71 PolarHBondContact O-N 3.29Å; K69-A72 PolarHBondContact O-N 3.28Å; K69-E73 WeakPolarHBondContact CE-OE1 3.23Å; K69-E73 IonicContact NZ-OE1 3.99Å; K69-E73 WeakPolarHBondContact O-CB 3.32Å; K69-E73 WeakPolarHBondContact O-CG 3.5Å; K69-E73 PolarHBondContact O-N 2.87Å |
| 70 | K | 94.8 | Very high | 91.5 | Very high | 114 Ų | 114 | 120.1 Ų | 120.1 | 50% | 0.496 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 176.3 | -74.1 | 177.1 | -178.4 | 168.6 | 0 | 111.3 | E66 R67 A72 E73 E74 | E66-K70 WeakPolarHBondContact O-CG 3.49Å; E66-K70 PolarHBondContact O-N 3.28Å; E66-K70 WeakPolarHBondContact OE1-CE 3.4Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 2.97Å; R67-K70 PolarHBondContact O-N 3.08Å; K70-A72 PolarHBondContact O-N 3.5Å; K70-E73 PolarHBondContact O-N 3.02Å; K70-E74 WeakPolarHBondContact O-CG 3.25Å; K70-E74 PolarHBondContact O-N 3.45Å |
| 71 | H | 93.7 | Very high | 91.2 | Very high | 113 Ų | 113 | 126.9 Ų | 126.9 | 52% | 0.523 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.4 | -42.1 | 177.7 | -172.9 | 63.3 | 0 | 0 | 0 | 112.3 | R67 S68 K69 E73 E74 M75 | R67-H71 WeakPolarHBondContact O-CB 3.47Å; R67-H71 PolarHBondContact O-N 3.48Å; S68-H71 PolarHBondContact O-N 2.91Å; K69-H71 PolarHBondContact O-N 3.29Å; H71-E73 VanDerWaalsContact C-N 3.35Å; H71-E73 PolarHBondContact O-N 3.45Å; H71-E74 PolarHBondContact O-N 2.03Å; H71-M75 WeakPolarHBondContact O-CB 2.98Å; H71-M75 VanDerWaalsContact O-CG 3.28Å; H71-M75 WeakPolarHBondContact O-CG 3.46Å; H71-M75 PolarHBondContact O-N 2.97Å |
| 72 | A | 93.5 | Very high | 90.4 | Very high | 40 Ų | 40 | 122 Ų | 122 | 33% | 0.331 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.6 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S68 K69 K70 R76 | S68-A72 VanDerWaalsContact O-CB 3.31Å; S68-A72 WeakPolarHBondContact O-CB 3.08Å; S68-A72 PolarHBondContact O-N 2.87Å; K69-A72 PolarHBondContact O-N 3.28Å; K70-A72 PolarHBondContact O-N 3.5Å; A72-R76 WeakPolarHBondContact O-CB 3.47Å; A72-R76 WeakPolarHBondContact O-CG 3.49Å; A72-R76 PolarHBondContact O-N 2.71Å |
| 73 | E | 94.7 | Very high | 89 | Confident | 86 Ų | 86 | 123 Ų | 123 | 40% | 0.402 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.6 | -43.7 | 174.7 | -75.7 | 175.4 | -176.7 | 0 | 0 | 112 | K69 K70 H71 R76 K77 | K69-E73 WeakPolarHBondContact CE-OE1 3.23Å; K69-E73 IonicContact NZ-OE1 3.99Å; K69-E73 WeakPolarHBondContact O-CB 3.32Å; K69-E73 WeakPolarHBondContact O-CG 3.5Å; K69-E73 PolarHBondContact O-N 2.87Å; K70-E73 PolarHBondContact O-N 3.02Å; H71-E73 VanDerWaalsContact C-N 3.35Å; H71-E73 PolarHBondContact O-N 3.45Å; E73-R76 PolarHBondContact O-N 2.93Å; E73-K77 WeakPolarHBondContact O-CG 3.27Å; E73-K77 PolarHBondContact O-N 3.41Å |
| 74 | E | 93.4 | Very high | 87.5 | Confident | 117 Ų | 117 | 128.6 Ų | 128.6 | 55% | 0.547 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.6 | -48.3 | 173.5 | -74.1 | 175.6 | 172.9 | 0 | 0 | 111.4 | K70 H71 R76 K77 R78 | K70-E74 WeakPolarHBondContact O-CG 3.25Å; K70-E74 PolarHBondContact O-N 3.45Å; H71-E74 PolarHBondContact O-N 2.03Å; E74-R76 VanDerWaalsContact C-N 3.33Å; E74-R76 PolarHBondContact O-N 3.4Å; E74-K77 PolarHBondContact O-N 3.48Å; E74-R78 WeakPolarHBondContact O-CG 3.04Å; E74-R78 PolarHBondContact O-N 3.27Å |
| 75 | M | 90.6 | Very high | 85.8 | Confident | 76 Ų | 76 | 135.7 Ų | 135.7 | 37% | 0.374 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.3 | -39.9 | 177.6 | -70.5 | -62.5 | -74.4 | 0 | 0 | 111.9 | H71 K77 R78 I79 | H71-M75 WeakPolarHBondContact O-CB 2.98Å; H71-M75 VanDerWaalsContact O-CG 3.28Å; H71-M75 WeakPolarHBondContact O-CG 3.46Å; H71-M75 PolarHBondContact O-N 2.97Å; M75-K77 PolarHBondContact O-N 3.13Å; M75-R78 PolarHBondContact O-N 3.37Å; M75-I79 VanDerWaalsContact O-CG1 3.31Å; M75-I79 WeakPolarHBondContact O-CG1 3.39Å; M75-I79 PolarHBondContact O-N 3.49Å |
| 76 | R | 91.2 | Very high | 85.5 | Confident | 185 Ų | 185 | 133.1 Ų | 133.1 | 70% | 0.698 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.5 | -41.6 | 173.7 | -77.7 | 170.7 | -178.7 | -170 | -0.3 | 112.2 | A72 E73 E74 I79 K80 | A72-R76 WeakPolarHBondContact O-CB 3.47Å; A72-R76 WeakPolarHBondContact O-CG 3.49Å; A72-R76 PolarHBondContact O-N 2.71Å; E73-R76 PolarHBondContact O-N 2.93Å; E74-R76 VanDerWaalsContact C-N 3.33Å; E74-R76 PolarHBondContact O-N 3.4Å; R76-I79 PolarHBondContact O-N 3.13Å; R76-K80 WeakPolarHBondContact O-CB 3.22Å; R76-K80 PolarHBondContact O-N 2.93Å |
| 77 | K | 91.3 | Very high | 85.1 | Confident | 136 Ų | 136 | 134.7 Ų | 134.7 | 59% | 0.591 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.9 | -47.1 | 175 | -71.9 | 177.2 | -176.1 | -179.6 | 0 | 111.1 | E73 E74 M75 I79 K80 E81 | E73-K77 WeakPolarHBondContact O-CG 3.27Å; E73-K77 PolarHBondContact O-N 3.41Å; E74-K77 PolarHBondContact O-N 3.48Å; M75-K77 PolarHBondContact O-N 3.13Å; K77-I79 VanDerWaalsContact C-N 3.32Å; K77-I79 PolarHBondContact O-N 3.17Å; K77-K80 PolarHBondContact O-N 2.93Å; K77-K80 VanDerWaalsContact O-N 3.12Å; K77-E81 WeakPolarHBondContact O-CB 3.24Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.01Å |
| 78 | R | 88.2 | Confident | 84.6 | Confident | 178 Ų | 178 | 131.1 Ų | 131.1 | 67% | 0.672 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.8 | -40.4 | 177.8 | -67.1 | 176.4 | 92.7 | -172.4 | 7.9 | 112.7 | E74 M75 G82 | E74-R78 WeakPolarHBondContact O-CG 3.04Å; E74-R78 PolarHBondContact O-N 3.27Å; M75-R78 PolarHBondContact O-N 3.37Å; R78-G82 PolarHBondContact O-N 3.47Å; R78-G82 VanDerWaalsContact O-N 3.16Å |
| 79 | I | 88.4 | Confident | 84.2 | Confident | 132 Ų | 132 | 134.1 Ų | 134.1 | 68% | 0.677 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.5 | -41.8 | 176.2 | -67 | 166.8 | 0 | 0 | 0 | 110.9 | M75 R76 K77 E81 G82 | M75-I79 VanDerWaalsContact O-CG1 3.31Å; M75-I79 WeakPolarHBondContact O-CG1 3.39Å; M75-I79 PolarHBondContact O-N 3.49Å; R76-I79 PolarHBondContact O-N 3.13Å; K77-I79 VanDerWaalsContact C-N 3.32Å; K77-I79 PolarHBondContact O-N 3.17Å; I79-E81 VanDerWaalsContact C-N 3.31Å; I79-E81 PolarHBondContact O-N 3.03Å; I79-G82 PolarHBondContact O-N 3.4Å; I79-G82 VanDerWaalsContact O-N 3.13Å |
| 80 | K | 86.8 | Confident | 83.6 | Confident | 191 Ų | 191 | 134.3 Ų | 134.3 | 83% | 0.83 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.9 | -34.1 | 177.9 | -171.1 | -179.1 | 179.4 | -175.9 | 0 | 112.6 | R76 K77 G82 | R76-K80 WeakPolarHBondContact O-CB 3.22Å; R76-K80 PolarHBondContact O-N 2.93Å; K77-K80 PolarHBondContact O-N 2.93Å; K77-K80 VanDerWaalsContact O-N 3.12Å; K80-G82 VanDerWaalsContact C-N 3.25Å |
| 81 | E | 82.7 | Confident | 82.8 | Confident | 157 Ų | 157 | 135.6 Ų | 135.6 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 5.7 | 175.3 | -66.8 | 176.4 | -176.6 | 0 | 0 | 113 | K77 I79 | K77-E81 WeakPolarHBondContact O-CB 3.24Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.01Å; I79-E81 VanDerWaalsContact C-N 3.31Å; I79-E81 PolarHBondContact O-N 3.03Å |
| 82 | G | 71.1 | Confident | 82 | Confident | 34 Ų | 34 | 137.2 Ų | 137.2 | 35% | 0.351 | 65% | 0.65 | S | S | . | * | trans | -48.6 | 152.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R78 I79 K80 K84 | R78-G82 PolarHBondContact O-N 3.47Å; R78-G82 VanDerWaalsContact O-N 3.16Å; I79-G82 PolarHBondContact O-N 3.4Å; I79-G82 VanDerWaalsContact O-N 3.13Å; K80-G82 VanDerWaalsContact C-N 3.25Å; G82-K84 PolarHBondContact O-N 3.41Å; G82-K84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | P | 62.3 | Low | 81.1 | Confident | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | trans | -55.5 | 119.4 | -153.9 | 23.2 | -32.8 | 0 | 0 | 0 | 110.5 | Q85 | P83-Q85 VanDerWaalsContact C-N 3.29Å; P83-Q85 PolarHBondContact O-N 2.74Å | ||
| 84 | K | 59.8 | Low | 80 | Confident | 212 Ų | 212 | 149.6 Ų | 149.6 | 92% | 0.922 | 70% | 0.698 | S | S | * | * | trans | -58.8 | 98.2 | 162.6 | -69.4 | 177.5 | -178.4 | 170.4 | 0 | 106.7 | G82 | G82-K84 PolarHBondContact O-N 3.41Å; G82-K84 VanDerWaalsContact O-N 3.12Å | ||
| 85 | Q | 54.6 | Low | 78.8 | Confident | 258 Ų | 258 | 152.5 Ų | 152.5 | 100% | 1.206 | 71% | 0.712 | S | S | * | * | trans | -83.9 | 0 | 156.6 | -74.3 | -167.8 | -58 | 0 | 0 | 108.6 | P83 | P83-Q85 VanDerWaalsContact C-N 3.29Å; P83-Q85 PolarHBondContact O-N 2.74Å |
Retrieved 85 of 85 residues in 90.9 ms
(Link to these results)