| 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 | 37 | Very low | 44.1 | Very low | 225 Ų | 225 | 121.3 Ų | 121.3 | 100% | 1.108 | 68% | 0.675 | S | S | * | * | 0 | 110.5 | 0 | -78.1 | 159.6 | 80 | 0 | 0 | 104.7 | |||||
| 2 | E | 36.7 | Very low | 44.8 | Very low | 183 Ų | 183 | 117.7 Ų | 117.7 | 86% | 0.855 | 66% | 0.663 | S | S | * | * | trans | -165.3 | 89 | 166.1 | -130.6 | 77.7 | 99.4 | 0 | 0 | 105.8 | D4 | E2-D4 PolarHBondContact O-N 2.7Å; E2-D4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | S | 39 | Very low | 45.8 | Very low | 127 Ų | 127 | 119.8 Ų | 119.8 | 89% | 0.888 | 65% | 0.654 | S | S | * | * | trans | -83.4 | 89.8 | -178.7 | -55.9 | 0 | 0 | 0 | 0 | 108.2 | C5 | S3-C5 PolarHBondContact O-N 2.87Š| ||
| 4 | D | 44 | Very low | 46.8 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 66% | 0.663 | 64% | 0.644 | S | S | * | * | trans | -60.4 | 99.2 | 178.6 | -116.6 | -12.5 | 0 | 0 | 0 | 110.9 | E2 R6 | E2-D4 PolarHBondContact O-N 2.7Å; E2-D4 VanDerWaalsContact O-N 3.16Å; D4-R6 VanDerWaalsContact C-N 3.29Å; D4-R6 PolarHBondContact O-N 2.83Å; D4-R6 IonicContact OD2-NE 3.03Å | ||
| 5 | C | 48.1 | Very low | 48 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 66% | 0.655 | 65% | 0.652 | S | S | * | * | trans | -74.2 | 80.3 | 175.6 | -165.2 | 0 | 0 | 0 | 0 | 109.7 | S3 I7 | S3-C5 PolarHBondContact O-N 2.87Å; C5-I7 VanDerWaalsContact C-N 3.35Å; C5-I7 PolarHBondContact O-N 3.37Å | ||
| 6 | R | 48.7 | Very low | 49.5 | Very low | 167 Ų | 167 | 120.3 Ų | 120.3 | 63% | 0.63 | 64% | 0.644 | S | S | * | * | trans | -90.6 | 29.4 | -174.5 | -98.4 | -169.8 | -160.9 | -127.1 | 11.7 | 115.6 | D4 | D4-R6 VanDerWaalsContact C-N 3.29Å; D4-R6 PolarHBondContact O-N 2.83Å; D4-R6 IonicContact OD2-NE 3.03Å | ||
| 7 | I | 46.1 | Very low | 50.9 | Low | 86 Ų | 86 | 119.8 Ų | 119.8 | 44% | 0.441 | 64% | 0.64 | S | S | . | * | trans | -143.9 | 96.8 | 170 | -54.6 | 179.4 | 0 | 0 | 0 | 109.7 | C5 V9 A10 W134 | C5-I7 VanDerWaalsContact C-N 3.35Å; C5-I7 PolarHBondContact O-N 3.37Å; I7-V9 HydrophobicContact CG2-CB 4.39Å; I7-V9 HydrophobicContact CG2-CG2 3.25Å; I7-V9 PolarHBondContact O-N 2.8Å; I7-V9 VanDerWaalsContact O-N 3.08Å; I7-A10 HydrophobicContact CB-CB 4.28Å; I7-A10 HydrophobicContact CG2-CB 4.14Å; I7-A10 PolarHBondContact O-N 3.08Å; I7-A10 VanDerWaalsContact O-N 3.1Å; I7-W134 HydrophobicContact CG2-CH2 4.29Å | ||
| 8 | P | 45.7 | Very low | 52.4 | Low | 106 Ų | 106 | 119.3 Ų | 119.3 | 69% | 0.688 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.8 | -16 | -178.9 | 24.8 | -32.3 | 0 | 0 | 0 | 113.3 | ||
| 9 | V | 48.8 | Very low | 53.9 | Low | 75 Ų | 75 | 119.1 Ų | 119.1 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -80.9 | -10.5 | 176.4 | -73 | 0 | 0 | 0 | 0 | 114.3 | I7 R13 W134 | I7-V9 HydrophobicContact CG2-CB 4.39Å; I7-V9 HydrophobicContact CG2-CG2 3.25Å; I7-V9 PolarHBondContact O-N 2.8Å; I7-V9 VanDerWaalsContact O-N 3.08Å; V9-R13 VanDerWaalsContact O-CG 3.29Å; V9-R13 WeakPolarHBondContact O-CG 3Å; V9-W134 HydrophobicContact CG2-CH2 3.93Å; V9-W134 HydrophobicContact CG2-CZ2 4.49Å; V9-W134 HydrophobicContact CG2-CZ3 4.48Å |
| 10 | A | 45.7 | Very low | 55.1 | Low | 46 Ų | 46 | 118.5 Ų | 118.5 | 38% | 0.38 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -92.3 | -30.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I7 R13 | I7-A10 HydrophobicContact CB-CB 4.28Å; I7-A10 HydrophobicContact CG2-CB 4.14Å; I7-A10 PolarHBondContact O-N 3.08Å; I7-A10 VanDerWaalsContact O-N 3.1Å; A10-R13 WeakPolarHBondContact O-CB 3.23Å |
| 11 | C | 45.4 | Very low | 56.5 | Low | 98 Ų | 98 | 116 Ų | 116 | 66% | 0.662 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.8 | -26.4 | 177.7 | -110.9 | 0 | 0 | 0 | 0 | 113.2 | P14 | C11-P14 WeakPolarHBondContact O-CD 3.04Å |
| 12 | C | 52.3 | Low | 58.7 | Low | 78 Ų | 78 | 110 Ų | 110 | 53% | 0.527 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -81.3 | -14.2 | 172 | -71 | 0 | 0 | 0 | 0 | 113.2 | P14 R15 V16 | C12-P14 VanDerWaalsContact C-CD 3.48Å; C12-R15 PolarHBondContact O-N 2.7Å; C12-V16 HydrophobicContact CB-CG2 4.14Å; C12-V16 VanDerWaalsContact O-CB 3.28Å; C12-V16 WeakPolarHBondContact O-CB 3.22Å; C12-V16 WeakPolarHBondContact O-CG2 3.28Å; C12-V16 PolarHBondContact O-N 3.18Å |
| 13 | R | 58.3 | Low | 61 | Low | 145 Ų | 145 | 107.5 Ų | 107.5 | 55% | 0.547 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -55.8 | -45.2 | -175.6 | -109.7 | 174.7 | -172.5 | 175.9 | -0.6 | 115.1 | V9 A10 L17 | V9-R13 VanDerWaalsContact O-CG 3.29Å; V9-R13 WeakPolarHBondContact O-CG 3Å; A10-R13 WeakPolarHBondContact O-CB 3.23Å; R13-L17 WeakPolarHBondContact O-CB 3.44Å; R13-L17 WeakPolarHBondContact O-CD1 3.36Å; R13-L17 WeakPolarHBondContact O-CG 3.05Å; R13-L17 PolarHBondContact O-N 2.79Å |
| 14 | P | 60.2 | Low | 63.2 | Low | 80 Ų | 80 | 107.9 Ų | 107.9 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.5 | -46.3 | -176.7 | -4.9 | 14.8 | 0 | 0 | 0 | 110.7 | C11 C12 L17 L18 | C11-P14 WeakPolarHBondContact O-CD 3.04Å; C12-P14 VanDerWaalsContact C-CD 3.48Å; P14-L17 PolarHBondContact O-N 3.4Å; P14-L18 WeakPolarHBondContact O-CB 3.41Å; P14-L18 PolarHBondContact O-N 3.35Å |
| 15 | R | 64.6 | Low | 65.2 | Low | 203 Ų | 203 | 103.9 Ų | 103.9 | 77% | 0.766 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.3 | -40 | 180 | -72.5 | -176.4 | 175.1 | 145.7 | -1 | 112.3 | C12 L18 L19 | C12-R15 PolarHBondContact O-N 2.7Å; R15-L18 PolarHBondContact O-N 3.49Å; R15-L19 WeakPolarHBondContact O-CB 3.39Å; R15-L19 WeakPolarHBondContact O-CG 3.19Å; R15-L19 PolarHBondContact O-N 3.12Å |
| 16 | V | 71.8 | Confident | 66.8 | Low | 85 Ų | 85 | 104.5 Ų | 104.5 | 52% | 0.515 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | C12 L19 H20 | C12-V16 HydrophobicContact CB-CG2 4.14Å; C12-V16 VanDerWaalsContact O-CB 3.28Å; C12-V16 WeakPolarHBondContact O-CB 3.22Å; C12-V16 WeakPolarHBondContact O-CG2 3.28Å; C12-V16 PolarHBondContact O-N 3.18Å; V16-L19 PolarHBondContact O-N 2.72Å; V16-H20 WeakPolarHBondContact O-CB 3.39Å; V16-H20 PolarHBondContact O-N 2.85Å |
| 17 | L | 73.1 | Confident | 68.4 | Low | 112 Ų | 112 | 99.2 Ų | 99.2 | 59% | 0.586 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -38.3 | 175 | -71.3 | 169.5 | 0 | 0 | 0 | 112 | R13 P14 H20 A21 | R13-L17 WeakPolarHBondContact O-CB 3.44Å; R13-L17 WeakPolarHBondContact O-CD1 3.36Å; R13-L17 WeakPolarHBondContact O-CG 3.05Å; R13-L17 PolarHBondContact O-N 2.79Å; P14-L17 PolarHBondContact O-N 3.4Å; L17-H20 PolarHBondContact O-N 2.79Å; L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 2.88Å |
| 18 | L | 77.6 | Confident | 70 | Confident | 110 Ų | 110 | 97.5 Ų | 97.5 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.1 | -46.5 | 174.7 | -124 | 146.8 | 0 | 0 | 0 | 111.4 | P14 R15 H20 A21 L22 | P14-L18 WeakPolarHBondContact O-CB 3.41Å; P14-L18 PolarHBondContact O-N 3.35Å; R15-L18 PolarHBondContact O-N 3.49Å; L18-H20 VanDerWaalsContact C-N 3.31Å; L18-H20 PolarHBondContact O-N 3.35Å; L18-A21 PolarHBondContact O-N 2.03Å; L18-L22 HydrophobicContact CD2-CD1 3.95Å; L18-L22 HydrophobicContact CD2-CG 4.28Å; L18-L22 VanDerWaalsContact O-CB 3.3Å; L18-L22 WeakPolarHBondContact O-CB 3.08Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 2.6Å |
| 19 | L | 80.8 | Confident | 71.4 | Confident | 115 Ų | 115 | 98.6 Ų | 98.6 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.7 | -38.7 | 176.4 | -71.9 | 170.8 | 0 | 0 | 0 | 111.6 | R15 V16 F23 | R15-L19 WeakPolarHBondContact O-CB 3.39Å; R15-L19 WeakPolarHBondContact O-CG 3.19Å; R15-L19 PolarHBondContact O-N 3.12Å; V16-L19 PolarHBondContact O-N 2.72Å; L19-F23 VanDerWaalsContact O-CB 3.24Å; L19-F23 WeakPolarHBondContact O-CB 3.45Å; L19-F23 PolarHBondContact O-N 3.2Å |
| 20 | H | 78.9 | Confident | 72.6 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -46.8 | 175.6 | -155 | -109.4 | 0 | 0 | 0 | 110.6 | V16 L17 L18 L22 F23 W24 | V16-H20 WeakPolarHBondContact O-CB 3.39Å; V16-H20 PolarHBondContact O-N 2.85Å; L17-H20 PolarHBondContact O-N 2.79Å; L18-H20 VanDerWaalsContact C-N 3.31Å; L18-H20 PolarHBondContact O-N 3.35Å; H20-L22 VanDerWaalsContact C-N 3.33Å; H20-L22 PolarHBondContact O-N 3.03Å; H20-F23 PolarHBondContact O-N 3.28Å; H20-W24 AromaticContact CD2-NE1 3.76Å; H20-W24 AromaticContact CE1-CD1 3.43Å; H20-W24 VanDerWaalsContact CE1-CD1 3.43Å; H20-W24 AromaticContact CE1-CE2 3.98Å; H20-W24 AromaticContact CE1-NE1 2.88Å; H20-W24 PolarHBondContact CE1-NE1 2.94Å; H20-W24 AromaticContact CG-CD1 3.71Å; H20-W24 AromaticContact CG-NE1 3.8Å; H20-W24 AromaticContact ND1-CD1 3.25Å; H20-W24 VanDerWaalsContact ND1-CD1 3.25Å; H20-W24 AromaticContact ND1-NE1 3.26Å; H20-W24 PolarHBondContact ND1-NE1 2.94Å; H20-W24 AromaticContact NE2-CD1 3.91Å; H20-W24 AromaticContact NE2-NE1 3.18Å; H20-W24 PolarHBondContact NE2-NE1 2.69Å; H20-W24 VanDerWaalsContact NE2-NE1 3.18Å; H20-W24 PolarHBondContact O-N 2.98Å |
| 21 | A | 83 | Confident | 73.9 | Confident | 66 Ų | 66 | 106.6 Ų | 106.6 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.5 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L17 L18 G25 | L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 2.03Å; A21-G25 WeakPolarHBondContact O-CA 3.05Å; A21-G25 PolarHBondContact O-N 2.83Å |
| 22 | L | 84.3 | Confident | 74.7 | Confident | 101 Ų | 101 | 108.8 Ų | 108.8 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -42.8 | 173.6 | -74 | 170.1 | 0 | 0 | 0 | 111.5 | L18 H20 G25 L26 | L18-L22 HydrophobicContact CD2-CD1 3.95Å; L18-L22 HydrophobicContact CD2-CG 4.28Å; L18-L22 VanDerWaalsContact O-CB 3.3Å; L18-L22 WeakPolarHBondContact O-CB 3.08Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 2.6Å; H20-L22 VanDerWaalsContact C-N 3.33Å; H20-L22 PolarHBondContact O-N 3.03Å; L22-G25 PolarHBondContact O-N 3.09Å; L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 PolarHBondContact O-N 2.9Å |
| 23 | F | 84.9 | Confident | 75.3 | Confident | 130 Ų | 130 | 106.2 Ų | 106.2 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -50.4 | 177.5 | -179.8 | -99.7 | 0 | 0 | 0 | 111.6 | L19 H20 G25 L26 V27 | L19-F23 VanDerWaalsContact O-CB 3.24Å; L19-F23 WeakPolarHBondContact O-CB 3.45Å; L19-F23 PolarHBondContact O-N 3.2Å; H20-F23 PolarHBondContact O-N 3.28Å; F23-G25 VanDerWaalsContact C-N 3.32Å; F23-G25 PolarHBondContact O-N 2.96Å; F23-L26 PolarHBondContact O-N 2.73Å; F23-V27 HydrophobicContact CD1-CG2 4.35Å; F23-V27 HydrophobicContact CE1-CG2 4.03Å; F23-V27 HydrophobicContact CE2-CG2 4.36Å; F23-V27 HydrophobicContact CZ-CG2 4.04Å; F23-V27 WeakPolarHBondContact O-CB 3.38Å; F23-V27 VanDerWaalsContact O-CG2 3.27Å; F23-V27 WeakPolarHBondContact O-CG2 3.33Å; F23-V27 PolarHBondContact O-N 3.03Å |
| 24 | W | 84.6 | Confident | 75.4 | Confident | 135 Ų | 135 | 102.5 Ų | 102.5 | 51% | 0.511 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.7 | -34.3 | 176.6 | -74.9 | 101.8 | 0 | 0 | 0 | 112.4 | H20 S28 | H20-W24 AromaticContact CD2-NE1 3.76Å; H20-W24 AromaticContact CE1-CD1 3.43Å; H20-W24 VanDerWaalsContact CE1-CD1 3.43Å; H20-W24 AromaticContact CE1-CE2 3.98Å; H20-W24 AromaticContact CE1-NE1 2.88Å; H20-W24 PolarHBondContact CE1-NE1 2.94Å; H20-W24 AromaticContact CG-CD1 3.71Å; H20-W24 AromaticContact CG-NE1 3.8Å; H20-W24 AromaticContact ND1-CD1 3.25Å; H20-W24 VanDerWaalsContact ND1-CD1 3.25Å; H20-W24 AromaticContact ND1-NE1 3.26Å; H20-W24 PolarHBondContact ND1-NE1 2.94Å; H20-W24 AromaticContact NE2-CD1 3.91Å; H20-W24 AromaticContact NE2-NE1 3.18Å; H20-W24 PolarHBondContact NE2-NE1 2.69Å; H20-W24 VanDerWaalsContact NE2-NE1 3.18Å; H20-W24 PolarHBondContact O-N 2.98Å; W24-S28 VanDerWaalsContact O-CB 3.27Å; W24-S28 WeakPolarHBondContact O-CB 3.41Å; W24-S28 PolarHBondContact O-N 3.19Å; W24-S28 PolarHBondContact O-OG 3.37Å |
| 25 | G | 85.6 | Confident | 75.3 | Confident | 39 Ų | 39 | 101.5 Ų | 101.5 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A21 L22 F23 S28 L29 | A21-G25 WeakPolarHBondContact O-CA 3.05Å; A21-G25 PolarHBondContact O-N 2.83Å; L22-G25 PolarHBondContact O-N 3.09Å; F23-G25 VanDerWaalsContact C-N 3.32Å; F23-G25 PolarHBondContact O-N 2.96Å; G25-S28 PolarHBondContact O-N 3.18Å; G25-L29 VanDerWaalsContact O-CB 3.3Å; G25-L29 WeakPolarHBondContact O-CB 2.97Å; G25-L29 PolarHBondContact O-N 3.25Å |
| 26 | L | 82.4 | Confident | 75.1 | Confident | 110 Ų | 110 | 97.6 Ų | 97.6 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -44.5 | 176.6 | -125.1 | 92.1 | 0 | 0 | 0 | 111.8 | L22 F23 L29 R30 | L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 PolarHBondContact O-N 2.9Å; F23-L26 PolarHBondContact O-N 2.73Å; L26-L29 PolarHBondContact O-N 2.93Å; L26-R30 VanDerWaalsContact O-CG 3.3Å; L26-R30 WeakPolarHBondContact O-CG 3.3Å; L26-R30 PolarHBondContact O-N 3.32Å |
| 27 | V | 81.9 | Confident | 74.3 | Confident | 57 Ų | 57 | 99.2 Ų | 99.2 | 35% | 0.345 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 177.7 | 170.1 | 0 | 0 | 0 | 0 | 110 | F23 R30 V31 | F23-V27 HydrophobicContact CD1-CG2 4.35Å; F23-V27 HydrophobicContact CE1-CG2 4.03Å; F23-V27 HydrophobicContact CE2-CG2 4.36Å; F23-V27 HydrophobicContact CZ-CG2 4.04Å; F23-V27 WeakPolarHBondContact O-CB 3.38Å; F23-V27 VanDerWaalsContact O-CG2 3.27Å; F23-V27 WeakPolarHBondContact O-CG2 3.33Å; F23-V27 PolarHBondContact O-N 3.03Å; V27-R30 PolarHBondContact O-N 2.99Å; V27-V31 HydrophobicContact CG1-CG2 4.48Å; V27-V31 WeakPolarHBondContact O-CG2 3.43Å; V27-V31 PolarHBondContact O-N 3.21Å |
| 28 | S | 79.6 | Confident | 73.5 | Confident | 50 Ų | 50 | 97.9 Ų | 97.9 | 35% | 0.35 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 175.8 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | W24 G25 R30 V31 F32 | W24-S28 VanDerWaalsContact O-CB 3.27Å; W24-S28 WeakPolarHBondContact O-CB 3.41Å; W24-S28 PolarHBondContact O-N 3.19Å; W24-S28 PolarHBondContact O-OG 3.37Å; G25-S28 PolarHBondContact O-N 3.18Å; S28-R30 VanDerWaalsContact C-N 3.26Å; S28-R30 PolarHBondContact O-N 3.32Å; S28-V31 PolarHBondContact O-N 3.32Å; S28-F32 WeakPolarHBondContact O-CB 3.22Å; S28-F32 WeakPolarHBondContact O-CD2 3.44Å; S28-F32 PolarHBondContact O-N 3.09Å |
| 29 | L | 76.8 | Confident | 72.3 | Confident | 128 Ų | 128 | 99.7 Ų | 99.7 | 67% | 0.67 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.7 | -35.3 | 179.5 | -171.7 | 67.9 | 0 | 0 | 0 | 112.6 | G25 L26 G33 | G25-L29 VanDerWaalsContact O-CB 3.3Å; G25-L29 WeakPolarHBondContact O-CB 2.97Å; G25-L29 PolarHBondContact O-N 3.25Å; L26-L29 PolarHBondContact O-N 2.93Å; L29-G33 VanDerWaalsContact O-CA 3.23Å; L29-G33 WeakPolarHBondContact O-CA 3.37Å; L29-G33 PolarHBondContact O-N 3.07Å |
| 30 | R | 73.7 | Confident | 70.7 | Confident | 196 Ų | 196 | 100.9 Ų | 100.9 | 74% | 0.74 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.6 | -42.2 | 176.3 | -71.6 | -66.9 | -176.2 | -170 | -0.4 | 112.6 | L26 V27 S28 A34 | L26-R30 VanDerWaalsContact O-CG 3.3Å; L26-R30 WeakPolarHBondContact O-CG 3.3Å; L26-R30 PolarHBondContact O-N 3.32Å; V27-R30 PolarHBondContact O-N 2.99Å; S28-R30 VanDerWaalsContact C-N 3.26Å; S28-R30 PolarHBondContact O-N 3.32Å; R30-A34 VanDerWaalsContact O-CB 3.23Å; R30-A34 WeakPolarHBondContact O-CB 3.3Å; R30-A34 PolarHBondContact O-N 3.19Å |
| 31 | V | 72.9 | Confident | 69 | Low | 94 Ų | 94 | 103 Ų | 103 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.4 | -49.6 | 179.1 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | V27 S28 A34 A35 | V27-V31 HydrophobicContact CG1-CG2 4.48Å; V27-V31 WeakPolarHBondContact O-CG2 3.43Å; V27-V31 PolarHBondContact O-N 3.21Å; S28-V31 PolarHBondContact O-N 3.32Å; V31-A34 PolarHBondContact O-N 2.01Å; V31-A35 PolarHBondContact O-N 3.46Å |
| 32 | F | 62 | Low | 67.3 | Low | 143 Ų | 143 | 104.6 Ų | 104.6 | 63% | 0.627 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.7 | -36.7 | 177.7 | -71.8 | -73.9 | 0 | 0 | 0 | 112.3 | S28 A34 A35 L36 | S28-F32 WeakPolarHBondContact O-CB 3.22Å; S28-F32 WeakPolarHBondContact O-CD2 3.44Å; S28-F32 PolarHBondContact O-N 3.09Å; F32-A34 VanDerWaalsContact C-N 3.35Å; F32-A34 PolarHBondContact O-N 2.91Å; F32-A35 WeakPolarHBondContact O-CB 3.28Å; F32-A35 PolarHBondContact O-N 3.47Å; F32-L36 PolarHBondContact O-N 3.46Å |
| 33 | G | 63.5 | Low | 65.3 | Low | 25 Ų | 25 | 105.7 Ų | 105.7 | 26% | 0.258 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L29 A35 L36 L37 | L29-G33 VanDerWaalsContact O-CA 3.23Å; L29-G33 WeakPolarHBondContact O-CA 3.37Å; L29-G33 PolarHBondContact O-N 3.07Å; G33-A35 VanDerWaalsContact C-N 3.32Å; G33-L36 PolarHBondContact O-N 3.45Å; G33-L37 WeakPolarHBondContact O-CB 3.45Å; G33-L37 WeakPolarHBondContact O-CG 3Å; G33-L37 PolarHBondContact O-N 3.3Å |
| 34 | A | 60.3 | Low | 63.4 | Low | 66 Ų | 66 | 103.9 Ų | 103.9 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.2 | -34 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R30 V31 F32 S38 | R30-A34 VanDerWaalsContact O-CB 3.23Å; R30-A34 WeakPolarHBondContact O-CB 3.3Å; R30-A34 PolarHBondContact O-N 3.19Å; V31-A34 PolarHBondContact O-N 2.01Å; F32-A34 VanDerWaalsContact C-N 3.35Å; F32-A34 PolarHBondContact O-N 2.91Å; A34-S38 PolarHBondContact O-N 2.72Å |
| 35 | A | 60.1 | Low | 61.6 | Low | 59 Ų | 59 | 103.5 Ų | 103.5 | 49% | 0.488 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V31 F32 G33 S38 E39 | V31-A35 PolarHBondContact O-N 3.46Å; F32-A35 WeakPolarHBondContact O-CB 3.28Å; F32-A35 PolarHBondContact O-N 3.47Å; G33-A35 VanDerWaalsContact C-N 3.32Å; A35-S38 VanDerWaalsContact O-CB 3.31Å; A35-S38 WeakPolarHBondContact O-CB 3.43Å; A35-S38 PolarHBondContact O-N 2.92Å; A35-E39 PolarHBondContact O-N 2.04Å |
| 36 | L | 58.9 | Low | 59.8 | Low | 122 Ų | 122 | 110 Ų | 110 | 64% | 0.639 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.4 | -39.6 | 179.7 | -68.4 | -176.4 | 0 | 0 | 0 | 113.3 | F32 G33 S38 E39 E40 | F32-L36 PolarHBondContact O-N 3.46Å; G33-L36 PolarHBondContact O-N 3.45Å; L36-S38 PolarHBondContact O-N 3.43Å; L36-E39 WeakPolarHBondContact O-CB 3Å; L36-E39 PolarHBondContact O-N 3.21Å; L36-E39 VanDerWaalsContact O-N 3.1Å; L36-E40 PolarHBondContact O-N 2.68Å |
| 37 | L | 55.9 | Low | 58.1 | Low | 119 Ų | 119 | 110.5 Ų | 110.5 | 62% | 0.623 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.8 | -19.9 | 174.9 | -72.5 | -178.9 | 0 | 0 | 0 | 113.3 | G33 E39 | G33-L37 WeakPolarHBondContact O-CB 3.45Å; G33-L37 WeakPolarHBondContact O-CG 3Å; G33-L37 PolarHBondContact O-N 3.3Å; L37-E39 VanDerWaalsContact C-N 3.32Å |
| 38 | S | 56 | Low | 57.1 | Low | 83 Ų | 83 | 113.3 Ų | 113.3 | 58% | 0.58 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.9 | -33.4 | 170.7 | -159.2 | 0 | 0 | 0 | 0 | 111.2 | A34 A35 L36 | A34-S38 PolarHBondContact O-N 2.72Å; A35-S38 VanDerWaalsContact O-CB 3.31Å; A35-S38 WeakPolarHBondContact O-CB 3.43Å; A35-S38 PolarHBondContact O-N 2.92Å; L36-S38 PolarHBondContact O-N 3.43Å |
| 39 | E | 52.5 | Low | 56.9 | Low | 149 Ų | 149 | 117 Ų | 117 | 70% | 0.696 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75 | -37.3 | 178.5 | -159.6 | 155.2 | 109.8 | 0 | 0 | 112.2 | A35 L36 L37 K41 T42 | A35-E39 PolarHBondContact O-N 2.04Å; L36-E39 WeakPolarHBondContact O-CB 3Å; L36-E39 PolarHBondContact O-N 3.21Å; L36-E39 VanDerWaalsContact O-N 3.1Å; L37-E39 VanDerWaalsContact C-N 3.32Å; E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 3.07Å; E39-T42 WeakPolarHBondContact O-CB 3.44Å; E39-T42 PolarHBondContact O-N 3.14Å; E39-T42 PolarHBondContact O-OG1 3.34Å |
| 40 | E | 45.8 | Very low | 57.1 | Low | 140 Ų | 140 | 112.9 Ų | 112.9 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69 | -26.5 | -179 | -164 | 175.6 | 118 | 0 | 0 | 113.5 | L36 T42 T43 | L36-E40 PolarHBondContact O-N 2.68Å; E40-T42 PolarHBondContact O-N 3.05Å; E40-T43 PolarHBondContact O-OG1 2.62Å |
| 41 | K | 44 | Very low | 57.8 | Low | 152 Ų | 152 | 105.5 Ų | 105.5 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 36.5 | 174 | -163.1 | 165.5 | 174.3 | 175.7 | 0 | 112.9 | E39 | E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 3.07Å |
| 42 | T | 47.6 | Very low | 58.7 | Low | 99 Ų | 99 | 101.6 Ų | 101.6 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | -1.3 | 176.6 | -31.5 | 0 | 0 | 0 | 0 | 112.7 | E39 E40 A44 | E39-T42 WeakPolarHBondContact O-CB 3.44Å; E39-T42 PolarHBondContact O-N 3.14Å; E39-T42 PolarHBondContact O-OG1 3.34Å; E40-T42 PolarHBondContact O-N 3.05Å; T42-A44 PolarHBondContact O-N 2.93Å |
| 43 | T | 42.9 | Very low | 60 | Low | 124 Ų | 124 | 97.9 Ų | 97.9 | 76% | 0.761 | 57% | 0.572 | S | S | * | * | trans | -96.4 | 59.2 | -178.8 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | E40 | E40-T43 PolarHBondContact O-OG1 2.62Š| ||
| 44 | A | 44.8 | Very low | 61.4 | Low | 92 Ų | 92 | 102.1 Ų | 102.1 | 76% | 0.76 | 59% | 0.587 | S | S | * | * | trans | -139.1 | 73 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | T42 K46 | T42-A44 PolarHBondContact O-N 2.93Å; A44-K46 VanDerWaalsContact C-N 3.3Å; A44-K46 PolarHBondContact O-N 2.83Å | ||
| 45 | V | 45.6 | Very low | 62.9 | Low | 126 Ų | 126 | 105.2 Ų | 105.2 | 76% | 0.764 | 59% | 0.594 | S | S | * | * | trans | -72.4 | 87.8 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 46 | K | 49 | Very low | 64.4 | Low | 175 Ų | 175 | 103.9 Ų | 103.9 | 76% | 0.761 | 58% | 0.578 | S | S | * | * | trans | -56.4 | 147.6 | 148.6 | -95.4 | -176.6 | 172.7 | -178.8 | 0 | 107.3 | A44 V48 | A44-K46 VanDerWaalsContact C-N 3.3Å; A44-K46 PolarHBondContact O-N 2.83Å; K46-V48 VanDerWaalsContact C-N 3.35Å; K46-V48 WeakPolarHBondContact O-CG2 3.04Å; K46-V48 PolarHBondContact O-N 3.49Å | ||
| 47 | P | 45.7 | Very low | 66.1 | Low | 121 Ų | 121 | 104.4 Ų | 104.4 | 79% | 0.786 | 58% | 0.582 | S | S | * | * | trans | -60.2 | 102.4 | 176.5 | 26.5 | -32.1 | 0 | 0 | 0 | 107.6 | V49 | P47-V49 VanDerWaalsContact C-N 3.33Å; P47-V49 PolarHBondContact O-N 3.26Å | ||
| 48 | V | 60.4 | Low | 67.9 | Low | 117 Ų | 117 | 102.2 Ų | 102.2 | 71% | 0.709 | 57% | 0.567 | S | S | * | * | trans | -75.4 | 96.4 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 104.9 | K46 A50 | K46-V48 VanDerWaalsContact C-N 3.35Å; K46-V48 WeakPolarHBondContact O-CG2 3.04Å; K46-V48 PolarHBondContact O-N 3.49Å; V48-A50 PolarHBondContact O-N 3.07Å | ||
| 49 | V | 75.8 | Confident | 69.8 | Low | 127 Ų | 127 | 102.3 Ų | 102.3 | 77% | 0.77 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 117 | 157.9 | 178.4 | 0 | 0 | 0 | 0 | 105.4 | P47 | P47-V49 VanDerWaalsContact C-N 3.33Å; P47-V49 PolarHBondContact O-N 3.26Å |
| 50 | A | 82.1 | Confident | 71.8 | Confident | 42 Ų | 42 | 98.5 Ų | 98.5 | 35% | 0.347 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -53 | 134.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V48 L55 | V48-A50 PolarHBondContact O-N 3.07Å; A50-L55 HydrophobicContact CB-CD1 4.24Å; A50-L55 HydrophobicContact CB-CD2 4.44Å; A50-L55 HydrophobicContact CB-CG 4.41Å |
| 51 | P | 87.6 | Confident | 74.1 | Confident | 40 Ų | 40 | 95.4 Ų | 95.4 | 26% | 0.26 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 147.7 | -175 | 26.5 | -32.8 | 0 | 0 | 0 | 110.5 | W53 L54 | P51-W53 VanDerWaalsContact C-N 3.27Å; P51-W53 HydrophobicContact CB-CD2 4.31Å; P51-W53 HydrophobicContact CB-CG 4.43Å; P51-W53 HydrophobicContact CB-CZ2 4.06Å; P51-W53 HydrophobicContact CG-CD2 4.2Å; P51-W53 HydrophobicContact CG-CH2 4.16Å; P51-W53 HydrophobicContact CG-CZ2 3.5Å; P51-W53 PolarHBondContact O-N 3.46Å; P51-L54 HydrophobicContact CG-CB 4.28Å; P51-L54 VanDerWaalsContact O-CB 3.3Å; P51-L54 WeakPolarHBondContact O-CB 3.49Å; P51-L54 PolarHBondContact O-N 3.41Å |
| 52 | C | 91.8 | Very high | 76.3 | Confident | 13 Ų | 13 | 92.2 Ų | 92.2 | 9% | 0.088 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -60.4 | -36.6 | -170.4 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | L54 L55 E56 C89 E96 | C52-L54 PolarHBondContact O-N 3.21Å; C52-L55 PolarHBondContact O-N 3.11Å; C52-E56 HydrophobicContact CB-CG 4.35Å; C52-E56 WeakPolarHBondContact CB-OE1 3.44Å; C52-E56 WeakPolarHBondContact O-CG 3.29Å; C52-E56 PolarHBondContact O-N 3.09Å; C52-C89 HydrophobicContact CB-CB 3.79Å; C52-C89 WeakPolarHBondContact CB-SG 3.4Å; C52-C89 WeakPolarHBondContact SG-CB 3.46Å; C52-C89 CovalentContact SG-SG 2.03Å; C52-C89 PolarHBondContact SG-SG 3.29Å; C52-E96 WeakPolarHBondContact SG-CG 3.42Å |
| 53 | W | 90.6 | Very high | 78.4 | Confident | 65 Ų | 65 | 95.1 Ų | 95.1 | 25% | 0.246 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -64.9 | -10.8 | 178.3 | 55.6 | -102.5 | 0 | 0 | 0 | 114.4 | P51 F58 V87 C89 K98 | P51-W53 VanDerWaalsContact C-N 3.27Å; P51-W53 HydrophobicContact CB-CD2 4.31Å; P51-W53 HydrophobicContact CB-CG 4.43Å; P51-W53 HydrophobicContact CB-CZ2 4.06Å; P51-W53 HydrophobicContact CG-CD2 4.2Å; P51-W53 HydrophobicContact CG-CH2 4.16Å; P51-W53 HydrophobicContact CG-CZ2 3.5Å; P51-W53 PolarHBondContact O-N 3.46Å; W53-F58 HydrophobicContact CB-CB 4.3Å; W53-F58 HydrophobicContact CB-CD1 3.66Å; W53-F58 HydrophobicContact CB-CE1 4.21Å; W53-F58 HydrophobicContact CB-CG 4.03Å; W53-V87 HydrophobicContact CB-CG2 4.05Å; W53-V87 HydrophobicContact CG-CG2 4.25Å; W53-C89 PolarHBondContact N-SG 3.47Å; W53-K98 HydrophobicContact CD2-CD 3.8Å; W53-K98 HydrophobicContact CD2-CG 4.43Å; W53-K98 HydrophobicContact CE3-CD 3.77Å; W53-K98 HydrophobicContact CG-CD 4.35Å; W53-K98 HydrophobicContact CH2-CD 4.2Å; W53-K98 HydrophobicContact CH2-CG 4.39Å; W53-K98 HydrophobicContact CZ2-CB 4.49Å; W53-K98 HydrophobicContact CZ2-CD 4.21Å; W53-K98 HydrophobicContact CZ2-CG 4.12Å; W53-K98 HydrophobicContact CZ3-CD 3.95Å |
| 54 | L | 91.3 | Very high | 80.7 | Confident | 113 Ų | 113 | 90.9 Ų | 90.9 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -86.2 | -22.5 | 172 | -140.2 | 83.9 | 0 | 0 | 0 | 112.7 | P51 C52 | P51-L54 HydrophobicContact CG-CB 4.28Å; P51-L54 VanDerWaalsContact O-CB 3.3Å; P51-L54 WeakPolarHBondContact O-CB 3.49Å; P51-L54 PolarHBondContact O-N 3.41Å; C52-L54 PolarHBondContact O-N 3.21Å |
| 55 | L | 91.9 | Very high | 82.9 | Confident | 131 Ų | 131 | 91.3 Ų | 91.3 | 69% | 0.686 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -107 | -21.6 | -170.4 | -60.8 | 172.5 | 0 | 0 | 0 | 112.5 | A50 C52 | A50-L55 HydrophobicContact CB-CD1 4.24Å; A50-L55 HydrophobicContact CB-CD2 4.44Å; A50-L55 HydrophobicContact CB-CG 4.41Å; C52-L55 PolarHBondContact O-N 3.11Å |
| 56 | E | 93.1 | Very high | 85 | Confident | 31 Ų | 31 | 94 Ų | 94 | 15% | 0.145 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -144.3 | 161.5 | -175.3 | 49.5 | 173.5 | 141.7 | 0 | 0 | 112.1 | C52 C89 T90 K91 T92 | C52-E56 HydrophobicContact CB-CG 4.35Å; C52-E56 WeakPolarHBondContact CB-OE1 3.44Å; C52-E56 WeakPolarHBondContact O-CG 3.29Å; C52-E56 PolarHBondContact O-N 3.09Å; E56-C89 VanDerWaalsContact CD-CB 3.42Å; E56-C89 HydrophobicContact CG-CB 4.02Å; E56-C89 WeakPolarHBondContact OE1-CB 3.45Å; E56-T90 PolarHBondContact OE2-N 2.88Å; E56-K91 HydrophobicContact CB-CB 4.38Å; E56-K91 VanDerWaalsContact OE2-CA 3.22Å; E56-K91 WeakPolarHBondContact OE2-CA 3.41Å; E56-K91 WeakPolarHBondContact OE2-CB 3.17Å; E56-K91 PolarHBondContact OE2-N 3.3Å; E56-T92 WeakPolarHBondContact OE1-CB 3.31Å; E56-T92 WeakPolarHBondContact OE1-CG2 3.31Å; E56-T92 PolarHBondContact OE1-OG1 3.41Å; E56-T92 PolarHBondContact OE2-N 3.46Å; E56-T92 VanDerWaalsContact OE2-N 3.08Å |
| 57 | N | 93.5 | Very high | 87 | Confident | 134 Ų | 134 | 86.1 Ų | 86.1 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | trans | -63.1 | 142.7 | 172.3 | -68.1 | -45.5 | 0 | 0 | 0 | 110.1 | T90 | N57-T90 WeakPolarHBondContact O-CB 3.37Å; N57-T90 WeakPolarHBondContact O-CG2 3.38Å; N57-T90 PolarHBondContact O-N 3.48Å; N57-T90 PolarHBondContact O-OG1 3.29Å | ||
| 58 | F | 94.1 | Very high | 89.1 | Confident | 73 Ų | 73 | 83 Ų | 83 | 32% | 0.32 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 157.1 | -179.6 | 63.5 | -91.1 | 0 | 0 | 0 | 110.9 | W53 V60 V87 N88 | W53-F58 HydrophobicContact CB-CB 4.3Å; W53-F58 HydrophobicContact CB-CD1 3.66Å; W53-F58 HydrophobicContact CB-CE1 4.21Å; W53-F58 HydrophobicContact CB-CG 4.03Å; F58-V60 HydrophobicContact CE2-CG2 4.24Å; F58-V87 HydrophobicContact CB-CB 4.22Å; F58-V87 HydrophobicContact CD2-CB 3.75Å; F58-V87 HydrophobicContact CD2-CG1 3.56Å; F58-V87 HydrophobicContact CD2-CG2 4.47Å; F58-V87 HydrophobicContact CE2-CG1 3.87Å; F58-V87 HydrophobicContact CG-CB 4.23Å; F58-V87 HydrophobicContact CG-CG1 4.43Å; F58-N88 CarbonylContact C-O 3.57Å; F58-N88 VanDerWaalsContact CA-O 3.23Å; F58-N88 WeakPolarHBondContact CA-O 3.47Å |
| 59 | V | 95 | Very high | 90.5 | Very high | 85 Ų | 85 | 83.4 Ų | 83.4 | 52% | 0.515 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.2 | 173 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | L61 V87 N88 T90 | V59-L61 PolarHBondContact O-N 3.17Å; V59-V87 CarbonylContact O-C 3.51Å; V59-V87 WeakPolarHBondContact O-CA 3.29Å; V59-N88 PolarHBondContact N-O 2.99Å; V59-N88 PolarHBondContact O-N 3.27Å; V59-T90 HydrophobicContact CG2-CG2 3.85Å |
| 60 | V | 94.5 | Very high | 91.1 | Very high | 68 Ų | 68 | 84.4 Ų | 84.4 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | F58 E62 V87 | F58-V60 HydrophobicContact CE2-CG2 4.24Å; V60-E62 VanDerWaalsContact CG1-O 3.28Å; V60-E62 WeakPolarHBondContact CG1-O 3.47Å; V60-V87 HydrophobicContact CG2-CG1 4.32Å |
| 61 | L | 94.1 | Very high | 91.3 | Very high | 75 Ų | 75 | 84.6 Ų | 84.6 | 39% | 0.393 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -41.8 | 176 | -69.6 | 177.9 | 0 | 0 | 0 | 111.8 | V59 R86 N88 Q95 | V59-L61 PolarHBondContact O-N 3.17Å; L61-R86 HydrophobicContact CB-CB 4.49Å; L61-R86 HydrophobicContact CD1-CG 4.42Å; L61-R86 PolarHBondContact N-O 2.9Å; L61-N88 HydrophobicContact CD1-CB 3.79Å; L61-N88 HydrophobicContact CD2-CB 4.13Å; L61-N88 HydrophobicContact CG-CB 3.8Å; L61-Q95 HydrophobicContact CD1-CG 3.86Å |
| 62 | E | 92 | Very high | 91.3 | Very high | 85 Ų | 85 | 84.8 Ų | 84.8 | 40% | 0.397 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.2 | 176.2 | -70.7 | 175.9 | 173.8 | 0 | 0 | 108.8 | V60 R86 | V60-E62 VanDerWaalsContact CG1-O 3.28Å; V60-E62 WeakPolarHBondContact CG1-O 3.47Å; E62-R86 HydrophobicContact CB-CB 3.87Å; E62-R86 VanDerWaalsContact CD-NH2 3.31Å; E62-R86 HydrophobicContact CG-CB 4.3Å; E62-R86 PolarHBondContact N-O 2.99Å; E62-R86 PolarHBondContact O-N 3.42Å; E62-R86 IonicContact OE1-CZ 3.03Å; E62-R86 IonicContact OE1-NH1 2.72Å; E62-R86 PolarHBondContact OE1-NH1 3.35Å; E62-R86 IonicContact OE1-NH2 2.68Å; E62-R86 PolarHBondContact OE1-NH2 3.33Å; E62-R86 IonicContact OE2-CZ 2.72Å; E62-R86 IonicContact OE2-NE 3Å; E62-R86 IonicContact OE2-NH1 2.62Å; E62-R86 PolarHBondContact OE2-NH1 3.28Å |
| 63 | E | 91.1 | Very high | 91.1 | Very high | 160 Ų | 160 | 92.9 Ų | 92.9 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 160 | 176 | -64.4 | -179.8 | 179.1 | 0 | 0 | 111.5 | N65 | E63-N65 PolarHBondContact O-N 3.36Å; E63-N65 VanDerWaalsContact O-N 3.09Å; E63-N65 PolarHBondContact O-ND2 3.27Å |
| 64 | C | 91.4 | Very high | 90.8 | Very high | 35 Ų | 35 | 93.5 Ų | 93.5 | 24% | 0.236 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 111.7 | -177.3 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | C100 | C64-C100 WeakPolarHBondContact CA-SG 3.39Å; C64-C100 HydrophobicContact CB-CB 3.69Å; C64-C100 WeakPolarHBondContact CB-SG 3.43Å; C64-C100 WeakPolarHBondContact SG-CB 3.31Å; C64-C100 CovalentContact SG-SG 2.01Å; C64-C100 PolarHBondContact SG-SG 2.95Å |
| 65 | N | 90.5 | Very high | 90.5 | Very high | 101 Ų | 101 | 89.9 Ų | 89.9 | 54% | 0.54 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 158 | -176.9 | -79 | -64.5 | 0 | 0 | 0 | 111.8 | E63 C67 Y83 V84 | E63-N65 PolarHBondContact O-N 3.36Å; E63-N65 VanDerWaalsContact O-N 3.09Å; E63-N65 PolarHBondContact O-ND2 3.27Å; N65-C67 PolarHBondContact O-N 3.35Å; N65-Y83 CarbonylContact O-C 3.59Å; N65-Y83 VanDerWaalsContact O-CA 3.28Å; N65-Y83 WeakPolarHBondContact O-CA 3.42Å; N65-V84 PolarHBondContact N-O 3.28Å; N65-V84 PolarHBondContact O-N 2.84Å |
| 66 | R | 90.1 | Very high | 90.3 | Very high | 183 Ų | 183 | 89 Ų | 89 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 134.5 | 177.2 | -174.4 | -179.9 | 172.4 | -151.8 | -6.2 | 109.8 | S68 Y83 | R66-S68 PolarHBondContact O-N 3.05Å; R66-Y83 HydrophobicContact CB-CD1 4.16Å; R66-Y83 HydrophobicContact CB-CE1 3.79Å; R66-Y83 HydrophobicContact CG-CE1 4.44Å |
| 67 | C | 90.8 | Very high | 90 | Very high | 10 Ų | 10 | 89.5 Ų | 89.5 | 7% | 0.068 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 135.4 | 174.6 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | N65 A72 C78 G82 V84 | N65-C67 PolarHBondContact O-N 3.35Å; C67-A72 HydrophobicContact CB-CB 4.34Å; C67-C78 HydrophobicContact CB-CB 3.83Å; C67-C78 WeakPolarHBondContact CB-SG 3.23Å; C67-C78 WeakPolarHBondContact SG-CB 3.41Å; C67-C78 CovalentContact SG-SG 2.04Å; C67-C78 PolarHBondContact SG-SG 3.39Å; C67-G82 PolarHBondContact N-O 3.41Å; C67-G82 PolarHBondContact SG-O 2.85Å; C67-V84 VanDerWaalsContact SG-CG1 3.52Å |
| 68 | S | 90.1 | Very high | 89.8 | Confident | 56 Ų | 56 | 83.4 Ų | 83.4 | 39% | 0.392 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 157.6 | 167.5 | 80.7 | 0 | 0 | 0 | 0 | 110.5 | R66 F70 N71 A72 | R66-S68 PolarHBondContact O-N 3.05Å; S68-F70 PolarHBondContact O-N 3.04Å; S68-F70 VanDerWaalsContact O-N 3.14Å; S68-N71 PolarHBondContact O-N 3Å; S68-N71 PolarHBondContact OG-N 2.89Å; S68-N71 PolarHBondContact OG-ND2 3.13Å; S68-A72 WeakPolarHBondContact O-CB 3.42Å; S68-A72 PolarHBondContact O-N 2.83Å |
| 69 | D | 88.7 | Confident | 89.3 | Confident | 125 Ų | 125 | 87 Ų | 87 | 67% | 0.668 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.1 | -29.8 | -179.7 | -64.1 | -39.7 | 0 | 0 | 0 | 112.9 | K73 | D69-K73 WeakPolarHBondContact O-CG 3.35Å |
| 70 | F | 89.1 | Confident | 88.6 | Confident | 147 Ų | 147 | 90.7 Ų | 90.7 | 65% | 0.645 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -70.3 | -51.9 | 173.7 | -178.7 | -101.1 | 0 | 0 | 0 | 111.1 | S68 A72 K73 T74 | S68-F70 PolarHBondContact O-N 3.04Å; S68-F70 VanDerWaalsContact O-N 3.14Å; F70-A72 VanDerWaalsContact C-N 3.28Å; F70-A72 PolarHBondContact O-N 3.17Å; F70-K73 PolarHBondContact O-N 2.96Å; F70-T74 HydrophobicContact CD1-CG2 4.25Å; F70-T74 HydrophobicContact CD2-CG2 4.23Å; F70-T74 HydrophobicContact CE1-CG2 3.86Å; F70-T74 HydrophobicContact CE2-CG2 3.83Å; F70-T74 HydrophobicContact CG-CG2 4.43Å; F70-T74 HydrophobicContact CZ-CG2 3.64Å; F70-T74 WeakPolarHBondContact O-CG2 3.5Å; F70-T74 PolarHBondContact O-N 3.03Å; F70-T74 PolarHBondContact O-OG1 3.42Å; F70-T74 VanDerWaalsContact O-OG1 3.04Å |
| 71 | N | 86.1 | Confident | 88.1 | Confident | 46 Ų | 46 | 89.8 Ų | 89.8 | 25% | 0.246 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.5 | -33.3 | -178.7 | -69.8 | -19.1 | 0 | 0 | 0 | 112.2 | S68 K73 T74 Q75 | S68-N71 PolarHBondContact O-N 3Å; S68-N71 PolarHBondContact OG-N 2.89Å; S68-N71 PolarHBondContact OG-ND2 3.13Å; N71-K73 PolarHBondContact O-N 3.24Å; N71-T74 WeakPolarHBondContact CA-OG1 3.5Å; N71-T74 PolarHBondContact O-N 3.36Å; N71-Q75 WeakPolarHBondContact O-CA 3.5Å; N71-Q75 WeakPolarHBondContact O-CB 3.3Å; N71-Q75 PolarHBondContact O-N 2.92Å |
| 72 | A | 87.3 | Confident | 87.8 | Confident | 44 Ų | 44 | 87.5 Ų | 87.5 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.4 | -28.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C67 S68 F70 | C67-A72 HydrophobicContact CB-CB 4.34Å; S68-A72 WeakPolarHBondContact O-CB 3.42Å; S68-A72 PolarHBondContact O-N 2.83Å; F70-A72 VanDerWaalsContact C-N 3.28Å; F70-A72 PolarHBondContact O-N 3.17Å |
| 73 | K | 87.2 | Confident | 87.7 | Confident | 184 Ų | 184 | 85 Ų | 85 | 80% | 0.8 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -90.8 | -35.4 | 177.8 | -67.4 | 178.2 | -175.9 | 178.1 | 0 | 112.6 | D69 F70 N71 | D69-K73 WeakPolarHBondContact O-CG 3.35Å; F70-K73 PolarHBondContact O-N 2.96Å; N71-K73 PolarHBondContact O-N 3.24Å |
| 74 | T | 85.9 | Confident | 87.7 | Confident | 77 Ų | 77 | 78.2 Ų | 78.2 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -90.6 | -34.3 | -173 | 56 | 0 | 0 | 0 | 0 | 113.3 | F70 N71 | F70-T74 HydrophobicContact CD1-CG2 4.25Å; F70-T74 HydrophobicContact CD2-CG2 4.23Å; F70-T74 HydrophobicContact CE1-CG2 3.86Å; F70-T74 HydrophobicContact CE2-CG2 3.83Å; F70-T74 HydrophobicContact CG-CG2 4.43Å; F70-T74 HydrophobicContact CZ-CG2 3.64Å; F70-T74 WeakPolarHBondContact O-CG2 3.5Å; F70-T74 PolarHBondContact O-N 3.03Å; F70-T74 PolarHBondContact O-OG1 3.42Å; F70-T74 VanDerWaalsContact O-OG1 3.04Å; N71-T74 WeakPolarHBondContact CA-OG1 3.5Å; N71-T74 PolarHBondContact O-N 3.36Å |
| 75 | Q | 84.7 | Confident | 87.8 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 17% | 0.173 | 40% | 0.395 | C | S | . | . | trans | -100.5 | 121.1 | -178.6 | -62 | -178.2 | 7.3 | 0 | 0 | 110.9 | N71 V77 C78 | N71-Q75 WeakPolarHBondContact O-CA 3.5Å; N71-Q75 WeakPolarHBondContact O-CB 3.3Å; N71-Q75 PolarHBondContact O-N 2.92Å; Q75-V77 PolarHBondContact O-N 3.34Å; Q75-C78 PolarHBondContact O-N 2.76Å | ||
| 76 | T | 86.1 | Confident | 87.9 | Confident | 114 Ų | 114 | 75.9 Ų | 75.9 | 70% | 0.699 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.8 | 175.9 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | C78 R79 | T76-C78 VanDerWaalsContact C-N 3.26Å; T76-C78 PolarHBondContact O-N 3.08Å; T76-R79 WeakPolarHBondContact O-CB 3.34Å; T76-R79 PolarHBondContact O-N 3.06Å |
| 77 | V | 87.7 | Confident | 88.1 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 24% | 0.242 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35.7 | 178.6 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | Q75 R79 V84 K98 | Q75-V77 PolarHBondContact O-N 3.34Å; V77-R79 VanDerWaalsContact C-N 3.29Å; V77-R79 PolarHBondContact O-N 3.36Å; V77-V84 HydrophobicContact CB-CG1 4.44Å; V77-V84 HydrophobicContact CG1-CG1 4.06Å; V77-K98 VanDerWaalsContact CG1-C 3.41Å |
| 78 | C | 89.1 | Confident | 88.4 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.8 | -18.9 | 176.9 | -77.1 | 0 | 0 | 0 | 0 | 114 | C67 Q75 T76 Q80 G82 V84 | C67-C78 HydrophobicContact CB-CB 3.83Å; C67-C78 WeakPolarHBondContact CB-SG 3.23Å; C67-C78 WeakPolarHBondContact SG-CB 3.41Å; C67-C78 CovalentContact SG-SG 2.04Å; C67-C78 PolarHBondContact SG-SG 3.39Å; Q75-C78 PolarHBondContact O-N 2.76Å; T76-C78 VanDerWaalsContact C-N 3.26Å; T76-C78 PolarHBondContact O-N 3.08Å; C78-Q80 VanDerWaalsContact C-N 3.28Å; C78-Q80 PolarHBondContact O-N 2.97Å; C78-G82 VanDerWaalsContact O-CA 3.23Å; C78-G82 WeakPolarHBondContact O-CA 3.47Å; C78-G82 PolarHBondContact O-N 3.2Å; C78-V84 HydrophobicContact CB-CG1 4.48Å; C78-V84 WeakPolarHBondContact SG-CG1 3.33Å |
| 79 | R | 83.4 | Confident | 88.5 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 56% | 0.562 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.2 | -23.3 | -174.9 | -70.9 | -174 | 86.8 | -163.1 | -0.8 | 113.6 | T76 V77 | T76-R79 WeakPolarHBondContact O-CB 3.34Å; T76-R79 PolarHBondContact O-N 3.06Å; V77-R79 VanDerWaalsContact C-N 3.29Å; V77-R79 PolarHBondContact O-N 3.36Å |
| 80 | Q | 79.8 | Confident | 88.8 | Confident | 163 Ų | 163 | 63.6 Ų | 63.6 | 76% | 0.762 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -77.4 | -55.7 | -175 | -74.8 | 179.7 | -15.5 | 0 | 0 | 112.6 | C78 | C78-Q80 VanDerWaalsContact C-N 3.28Å; C78-Q80 PolarHBondContact O-N 2.97Å |
| 81 | T | 84.7 | Confident | 88.9 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 30% | 0.301 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -113.4 | -19.8 | -176.1 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | Y83 S99 C100 | T81-Y83 VanDerWaalsContact C-N 3.25Å; T81-Y83 WeakPolarHBondContact O-CD2 3.44Å; T81-Y83 PolarHBondContact OG1-N 3.03Å; T81-Y83 PolarHBondContact OG1-O 3.27Å; T81-Y83 VanDerWaalsContact OG1-O 3.11Å; T81-S99 WeakPolarHBondContact CG2-OG 3.44Å; T81-S99 PolarHBondContact OG1-OG 2.8Å; T81-S99 VanDerWaalsContact OG1-OG 3.09Å; T81-C100 PolarHBondContact OG1-O 3.35Å; T81-C100 VanDerWaalsContact OG1-O 3.09Å |
| 82 | G | 87.8 | Confident | 89.1 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 78.3 | 6.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C67 C78 | C67-G82 PolarHBondContact N-O 3.41Å; C67-G82 PolarHBondContact SG-O 2.85Å; C78-G82 VanDerWaalsContact O-CA 3.23Å; C78-G82 WeakPolarHBondContact O-CA 3.47Å; C78-G82 PolarHBondContact O-N 3.2Å |
| 83 | Y | 89.6 | Confident | 89.3 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 13% | 0.129 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.8 | 178.7 | -69.3 | -102.7 | 0 | 0 | 0 | 110.6 | N65 R66 T81 C100 S102 M105 | N65-Y83 CarbonylContact O-C 3.59Å; N65-Y83 VanDerWaalsContact O-CA 3.28Å; N65-Y83 WeakPolarHBondContact O-CA 3.42Å; R66-Y83 HydrophobicContact CB-CD1 4.16Å; R66-Y83 HydrophobicContact CB-CE1 3.79Å; R66-Y83 HydrophobicContact CG-CE1 4.44Å; T81-Y83 VanDerWaalsContact C-N 3.25Å; T81-Y83 WeakPolarHBondContact O-CD2 3.44Å; T81-Y83 PolarHBondContact OG1-N 3.03Å; T81-Y83 PolarHBondContact OG1-O 3.27Å; T81-Y83 VanDerWaalsContact OG1-O 3.11Å; Y83-C100 VanDerWaalsContact C-SG 3.59Å; Y83-C100 PolarHBondContact O-N 3.38Å; Y83-S102 WeakPolarHBondContact CD1-OG 3.23Å; Y83-M105 HydrophobicContact CD2-CB 4.07Å; Y83-M105 HydrophobicContact CD2-CG 4.05Å; Y83-M105 HydrophobicContact CD2-SD 4.28Å; Y83-M105 HydrophobicContact CE1-CB 4.44Å; Y83-M105 HydrophobicContact CE2-CB 3.59Å; Y83-M105 HydrophobicContact CE2-CE 4.32Å; Y83-M105 HydrophobicContact CE2-CG 3.59Å; Y83-M105 HydrophobicContact CE2-SD 3.39Å; Y83-M105 WeakPolarHBondContact CE2-SD 3.16Å |
| 84 | V | 92.6 | Very high | 89.4 | Confident | 17 Ų | 17 | 67.2 Ų | 67.2 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 147.3 | 180 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | N65 C67 V77 C78 K98 C100 | N65-V84 PolarHBondContact N-O 3.28Å; N65-V84 PolarHBondContact O-N 2.84Å; C67-V84 VanDerWaalsContact SG-CG1 3.52Å; V77-V84 HydrophobicContact CB-CG1 4.44Å; V77-V84 HydrophobicContact CG1-CG1 4.06Å; C78-V84 HydrophobicContact CB-CG1 4.48Å; C78-V84 WeakPolarHBondContact SG-CG1 3.33Å; V84-K98 VanDerWaalsContact CA-O 3.3Å; V84-K98 WeakPolarHBondContact CA-O 3.32Å; V84-C100 VanDerWaalsContact CA-SG 3.58Å; V84-C100 PolarHBondContact N-SG 3Å |
| 85 | E | 92.5 | Very high | 89.8 | Confident | 28 Ų | 28 | 69 Ų | 69 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 144 | 168.9 | 65 | -172 | -178.5 | 0 | 0 | 109 | V87 K98 C100 | E85-V87 HydrophobicContact CG-CG1 4.16Å; E85-K98 HydrophobicContact CG-CB 4.01Å; E85-K98 HydrophobicContact CG-CG 4.39Å; E85-K98 PolarHBondContact N-O 3.1Å; E85-K98 PolarHBondContact O-N 2.96Å; E85-K98 WeakPolarHBondContact OE1-CD 3.19Å; E85-K98 IonicContact OE1-NZ 3.56Å; E85-K98 PolarHBondContact OE1-NZ 3.41Å; E85-C100 HydrophobicContact CB-CB 4.1Å; E85-C100 HydrophobicContact CG-CB 3.9Å |
| 86 | R | 93.4 | Very high | 90.1 | Very high | 59 Ų | 59 | 69.4 Ų | 69.4 | 22% | 0.223 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125 | 174.8 | -167.8 | 171.4 | 73.2 | -145.1 | -4 | 108.9 | L61 E62 Y97 | L61-R86 HydrophobicContact CB-CB 4.49Å; L61-R86 HydrophobicContact CD1-CG 4.42Å; L61-R86 PolarHBondContact N-O 2.9Å; E62-R86 HydrophobicContact CB-CB 3.87Å; E62-R86 VanDerWaalsContact CD-NH2 3.31Å; E62-R86 HydrophobicContact CG-CB 4.3Å; E62-R86 PolarHBondContact N-O 2.99Å; E62-R86 PolarHBondContact O-N 3.42Å; E62-R86 IonicContact OE1-CZ 3.03Å; E62-R86 IonicContact OE1-NH1 2.72Å; E62-R86 PolarHBondContact OE1-NH1 3.35Å; E62-R86 IonicContact OE1-NH2 2.68Å; E62-R86 PolarHBondContact OE1-NH2 3.33Å; E62-R86 IonicContact OE2-CZ 2.72Å; E62-R86 IonicContact OE2-NE 3Å; E62-R86 IonicContact OE2-NH1 2.62Å; E62-R86 PolarHBondContact OE2-NH1 3.28Å; R86-Y97 HydrophobicContact CB-CD1 4.29Å; R86-Y97 HydrophobicContact CB-CE1 4.08Å; R86-Y97 HydrophobicContact CG-CD1 4.36Å; R86-Y97 HydrophobicContact CG-CE1 3.99Å |
| 87 | V | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 145.8 | -178.7 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | W53 F58 V59 V60 E85 Q95 E96 | W53-V87 HydrophobicContact CB-CG2 4.05Å; W53-V87 HydrophobicContact CG-CG2 4.25Å; F58-V87 HydrophobicContact CB-CB 4.22Å; F58-V87 HydrophobicContact CD2-CB 3.75Å; F58-V87 HydrophobicContact CD2-CG1 3.56Å; F58-V87 HydrophobicContact CD2-CG2 4.47Å; F58-V87 HydrophobicContact CE2-CG1 3.87Å; F58-V87 HydrophobicContact CG-CB 4.23Å; F58-V87 HydrophobicContact CG-CG1 4.43Å; V59-V87 CarbonylContact O-C 3.51Å; V59-V87 WeakPolarHBondContact O-CA 3.29Å; V60-V87 HydrophobicContact CG2-CG1 4.32Å; E85-V87 HydrophobicContact CG-CG1 4.16Å; V87-Q95 WeakPolarHBondContact O-CA 3.34Å; V87-E96 HydrophobicContact CG2-CB 4.41Å; V87-E96 WeakPolarHBondContact CG2-O 3.45Å; V87-E96 PolarHBondContact N-O 3.22Å; V87-E96 PolarHBondContact O-N 2.76Å |
| 88 | N | 95.4 | Very high | 90.4 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.3 | 170.6 | -170 | 22.7 | 0 | 0 | 0 | 109.9 | F58 V59 L61 S93 R94 | F58-N88 CarbonylContact C-O 3.57Å; F58-N88 VanDerWaalsContact CA-O 3.23Å; F58-N88 WeakPolarHBondContact CA-O 3.47Å; V59-N88 PolarHBondContact N-O 2.99Å; V59-N88 PolarHBondContact O-N 3.27Å; L61-N88 HydrophobicContact CD1-CB 3.79Å; L61-N88 HydrophobicContact CD2-CB 4.13Å; L61-N88 HydrophobicContact CG-CB 3.8Å; N88-S93 PolarHBondContact OD1-O 2.93Å; N88-R94 PolarHBondContact OD1-N 3Å; N88-R94 PolarHBondContact OD1-O 3.45Å |
| 89 | C | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125.6 | 178.8 | -74 | 0 | 0 | 0 | 0 | 110.6 | C52 W53 E56 S93 R94 | C52-C89 HydrophobicContact CB-CB 3.79Å; C52-C89 WeakPolarHBondContact CB-SG 3.4Å; C52-C89 WeakPolarHBondContact SG-CB 3.46Å; C52-C89 CovalentContact SG-SG 2.03Å; C52-C89 PolarHBondContact SG-SG 3.29Å; W53-C89 PolarHBondContact N-SG 3.47Å; E56-C89 VanDerWaalsContact CD-CB 3.42Å; E56-C89 HydrophobicContact CG-CB 4.02Å; E56-C89 WeakPolarHBondContact OE1-CB 3.45Å; C89-S93 WeakPolarHBondContact O-CA 3.46Å; C89-S93 PolarHBondContact O-N 3Å; C89-R94 WeakPolarHBondContact CB-O 3.46Å; C89-R94 PolarHBondContact N-O 2.91Å |
| 90 | T | 93.8 | Very high | 90.8 | Very high | 79 Ų | 79 | 62.6 Ų | 62.6 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -33.5 | -165.2 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | E56 N57 V59 | E56-T90 PolarHBondContact OE2-N 2.88Å; N57-T90 WeakPolarHBondContact O-CB 3.37Å; N57-T90 WeakPolarHBondContact O-CG2 3.38Å; N57-T90 PolarHBondContact O-N 3.48Å; N57-T90 PolarHBondContact O-OG1 3.29Å; V59-T90 HydrophobicContact CG2-CG2 3.85Å |
| 91 | K | 91.2 | Very high | 91 | Very high | 187 Ų | 187 | 64.5 Ų | 64.5 | 81% | 0.813 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -38.8 | -177.7 | -168.4 | -176.2 | 177.6 | 178 | 0 | 111.4 | E56 | E56-K91 HydrophobicContact CB-CB 4.38Å; E56-K91 VanDerWaalsContact OE2-CA 3.22Å; E56-K91 WeakPolarHBondContact OE2-CA 3.41Å; E56-K91 WeakPolarHBondContact OE2-CB 3.17Å; E56-K91 PolarHBondContact OE2-N 3.3Å |
| 92 | T | 90.2 | Very high | 90.9 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -10.2 | 179.9 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | E56 R94 | E56-T92 WeakPolarHBondContact OE1-CB 3.31Å; E56-T92 WeakPolarHBondContact OE1-CG2 3.31Å; E56-T92 PolarHBondContact OE1-OG1 3.41Å; E56-T92 PolarHBondContact OE2-N 3.46Å; E56-T92 VanDerWaalsContact OE2-N 3.08Å; T92-R94 PolarHBondContact O-N 3Å; T92-R94 VanDerWaalsContact O-N 3.12Å; T92-R94 WeakPolarHBondContact OG1-CB 3.43Å |
| 93 | S | 90.8 | Very high | 90.5 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 60% | 0.601 | 32% | 0.315 | S | S | * | . | trans | 50.2 | 29.6 | -170.3 | -169.3 | 0 | 0 | 0 | 0 | 113.2 | N88 C89 | N88-S93 PolarHBondContact OD1-O 2.93Å; C89-S93 WeakPolarHBondContact O-CA 3.46Å; C89-S93 PolarHBondContact O-N 3Å | ||
| 94 | R | 91 | Very high | 89.8 | Confident | 143 Ų | 143 | 68.2 Ų | 68.2 | 54% | 0.54 | 34% | 0.337 | S | S | . | . | trans | -93.9 | 132.1 | -177.4 | -174.4 | 172.6 | 170.3 | 173.7 | -5.3 | 110.2 | N88 C89 T92 E96 | N88-R94 PolarHBondContact OD1-N 3Å; N88-R94 PolarHBondContact OD1-O 3.45Å; C89-R94 WeakPolarHBondContact CB-O 3.46Å; C89-R94 PolarHBondContact N-O 2.91Å; T92-R94 PolarHBondContact O-N 3Å; T92-R94 VanDerWaalsContact O-N 3.12Å; T92-R94 WeakPolarHBondContact OG1-CB 3.43Å; R94-E96 HydrophobicContact CG-CG 4.4Å; R94-E96 IonicContact CZ-OE1 3.3Å; R94-E96 IonicContact NE-OE1 2.85Å; R94-E96 PolarHBondContact NE-OE1 3.32Å; R94-E96 IonicContact NH2-OE1 2.78Å; R94-E96 PolarHBondContact NH2-OE1 3.41Å | ||
| 95 | Q | 93.1 | Very high | 89 | Confident | 113 Ų | 113 | 70 Ų | 70 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.2 | 175.1 | -60.3 | -178.3 | 14.1 | 0 | 0 | 110.2 | L61 V87 | L61-Q95 HydrophobicContact CD1-CG 3.86Å; V87-Q95 WeakPolarHBondContact O-CA 3.34Å |
| 96 | E | 91.4 | Very high | 88.5 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 156.4 | 177.9 | -73.1 | -64.6 | 166 | 0 | 0 | 110.3 | C52 V87 R94 | C52-E96 WeakPolarHBondContact SG-CG 3.42Å; V87-E96 HydrophobicContact CG2-CB 4.41Å; V87-E96 WeakPolarHBondContact CG2-O 3.45Å; V87-E96 PolarHBondContact N-O 3.22Å; V87-E96 PolarHBondContact O-N 2.76Å; R94-E96 HydrophobicContact CG-CG 4.4Å; R94-E96 IonicContact CZ-OE1 3.3Å; R94-E96 IonicContact NE-OE1 2.85Å; R94-E96 PolarHBondContact NE-OE1 3.32Å; R94-E96 IonicContact NH2-OE1 2.78Å; R94-E96 PolarHBondContact NH2-OE1 3.41Å |
| 97 | Y | 90.9 | Very high | 88.1 | Confident | 84 Ų | 84 | 75.1 Ų | 75.1 | 33% | 0.329 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 135.8 | 175.1 | -67.3 | -84.4 | 0 | 0 | 0 | 110.1 | R86 | R86-Y97 HydrophobicContact CB-CD1 4.29Å; R86-Y97 HydrophobicContact CB-CE1 4.08Å; R86-Y97 HydrophobicContact CG-CD1 4.36Å; R86-Y97 HydrophobicContact CG-CE1 3.99Å |
| 98 | K | 90.3 | Very high | 87.6 | Confident | 50 Ų | 50 | 80.6 Ų | 80.6 | 22% | 0.217 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143.4 | 178.1 | 173.4 | 171.9 | 165.1 | -116.2 | 0 | 110.4 | W53 V77 V84 E85 | W53-K98 HydrophobicContact CD2-CD 3.8Å; W53-K98 HydrophobicContact CD2-CG 4.43Å; W53-K98 HydrophobicContact CE3-CD 3.77Å; W53-K98 HydrophobicContact CG-CD 4.35Å; W53-K98 HydrophobicContact CH2-CD 4.2Å; W53-K98 HydrophobicContact CH2-CG 4.39Å; W53-K98 HydrophobicContact CZ2-CB 4.49Å; W53-K98 HydrophobicContact CZ2-CD 4.21Å; W53-K98 HydrophobicContact CZ2-CG 4.12Å; W53-K98 HydrophobicContact CZ3-CD 3.95Å; V77-K98 VanDerWaalsContact CG1-C 3.41Å; V84-K98 VanDerWaalsContact CA-O 3.3Å; V84-K98 WeakPolarHBondContact CA-O 3.32Å; E85-K98 HydrophobicContact CG-CB 4.01Å; E85-K98 HydrophobicContact CG-CG 4.39Å; E85-K98 PolarHBondContact N-O 3.1Å; E85-K98 PolarHBondContact O-N 2.96Å; E85-K98 WeakPolarHBondContact OE1-CD 3.19Å; E85-K98 IonicContact OE1-NZ 3.56Å; E85-K98 PolarHBondContact OE1-NZ 3.41Å |
| 99 | S | 90.3 | Very high | 87.1 | Confident | 25 Ų | 25 | 83.1 Ų | 83.1 | 18% | 0.175 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.6 | 173.5 | 177.1 | 0 | 0 | 0 | 0 | 107.9 | T81 | T81-S99 WeakPolarHBondContact CG2-OG 3.44Å; T81-S99 PolarHBondContact OG1-OG 2.8Å; T81-S99 VanDerWaalsContact OG1-OG 3.09Å |
| 100 | C | 89.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 89 Ų | 89 | 5% | 0.047 | 44% | 0.435 | C | S | . | . | trans | -119.1 | 157 | -177.3 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | C64 T81 Y83 V84 E85 | C64-C100 WeakPolarHBondContact CA-SG 3.39Å; C64-C100 HydrophobicContact CB-CB 3.69Å; C64-C100 WeakPolarHBondContact CB-SG 3.43Å; C64-C100 WeakPolarHBondContact SG-CB 3.31Å; C64-C100 CovalentContact SG-SG 2.01Å; C64-C100 PolarHBondContact SG-SG 2.95Å; T81-C100 PolarHBondContact OG1-O 3.35Å; T81-C100 VanDerWaalsContact OG1-O 3.09Å; Y83-C100 VanDerWaalsContact C-SG 3.59Å; Y83-C100 PolarHBondContact O-N 3.38Å; V84-C100 VanDerWaalsContact CA-SG 3.58Å; V84-C100 PolarHBondContact N-SG 3Å; E85-C100 HydrophobicContact CB-CB 4.1Å; E85-C100 HydrophobicContact CG-CB 3.9Å | ||
| 101 | R | 84.7 | Confident | 86.7 | Confident | 203 Ų | 203 | 94.1 Ų | 94.1 | 77% | 0.766 | 45% | 0.445 | S | S | * | . | trans | -110.4 | 104.5 | 175.7 | -174.9 | 172.6 | 176.4 | 105.4 | 8.8 | 107.4 | E106 | R101-E106 IonicContact CZ-OE1 3.15Å; R101-E106 IonicContact NE-OE1 3.82Å; R101-E106 PolarHBondContact NE-OE1 3.28Å; R101-E106 IonicContact NH2-OE1 3.79Å; R101-E106 PolarHBondContact NH2-OE1 2.89Å | ||
| 102 | S | 81.3 | Confident | 86.6 | Confident | 12 Ų | 12 | 92.4 Ų | 92.4 | 8% | 0.084 | 44% | 0.438 | C | S | . | . | trans | -91.3 | 142.4 | 179.5 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | Y83 L104 M105 E106 | Y83-S102 WeakPolarHBondContact CD1-OG 3.23Å; S102-L104 PolarHBondContact O-N 3.25Å; S102-M105 WeakPolarHBondContact O-CB 3.33Å; S102-M105 PolarHBondContact O-N 3.23Å; S102-M105 VanDerWaalsContact OG-CB 3.22Å; S102-M105 WeakPolarHBondContact OG-CB 3.38Å; S102-M105 PolarHBondContact OG-N 3.21Å; S102-E106 PolarHBondContact O-N 3.46Å | ||
| 103 | A | 80.5 | Confident | 86.6 | Confident | 64 Ų | 64 | 94.5 Ų | 94.5 | 53% | 0.529 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59 | -37.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M105 E106 E107 | A103-M105 VanDerWaalsContact C-N 3.3Å; A103-M105 PolarHBondContact O-N 3.46Å; A103-E106 WeakPolarHBondContact O-CB 3.37Å; A103-E106 PolarHBondContact O-N 3.25Å; A103-E106 VanDerWaalsContact O-N 3.07Å; A103-E107 WeakPolarHBondContact O-CG 3.34Å; A103-E107 PolarHBondContact O-N 3.17Å |
| 104 | L | 74.6 | Confident | 86.8 | Confident | 111 Ų | 111 | 94 Ų | 94 | 58% | 0.581 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.3 | -37.1 | 176.8 | -61.5 | 178.8 | 0 | 0 | 0 | 112.9 | S102 H108 | S102-L104 PolarHBondContact O-N 3.25Å; L104-H108 PolarHBondContact O-CD2 2.9Å; L104-H108 PolarHBondContact O-N 3.34Å |
| 105 | M | 76.4 | Confident | 87 | Confident | 55 Ų | 55 | 89.7 Ų | 89.7 | 27% | 0.271 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.5 | 175.1 | 56.4 | 171.3 | 0 | 0 | 111 | Y83 S102 A103 H108 L109 | Y83-M105 HydrophobicContact CD2-CB 4.07Å; Y83-M105 HydrophobicContact CD2-CG 4.05Å; Y83-M105 HydrophobicContact CD2-SD 4.28Å; Y83-M105 HydrophobicContact CE1-CB 4.44Å; Y83-M105 HydrophobicContact CE2-CB 3.59Å; Y83-M105 HydrophobicContact CE2-CE 4.32Å; Y83-M105 HydrophobicContact CE2-CG 3.59Å; Y83-M105 HydrophobicContact CE2-SD 3.39Å; Y83-M105 WeakPolarHBondContact CE2-SD 3.16Å; S102-M105 WeakPolarHBondContact O-CB 3.33Å; S102-M105 PolarHBondContact O-N 3.23Å; S102-M105 VanDerWaalsContact OG-CB 3.22Å; S102-M105 WeakPolarHBondContact OG-CB 3.38Å; S102-M105 PolarHBondContact OG-N 3.21Å; A103-M105 VanDerWaalsContact C-N 3.3Å; A103-M105 PolarHBondContact O-N 3.46Å; M105-H108 PolarHBondContact O-N 3.48Å; M105-L109 HydrophobicContact CE-CD1 3.36Å; M105-L109 HydrophobicContact CE-CD2 4.15Å; M105-L109 HydrophobicContact CE-CG 4.42Å; M105-L109 HydrophobicContact CG-CD1 4.39Å; M105-L109 WeakPolarHBondContact O-CD1 3.33Å; M105-L109 PolarHBondContact O-N 3.3Å; M105-L109 VanDerWaalsContact O-N 3.07Å; M105-L109 HydrophobicContact SD-CD1 3.47Å; M105-L109 WeakPolarHBondContact SD-CD1 3.33Å |
| 106 | E | 80.7 | Confident | 87 | Confident | 83 Ų | 83 | 87 Ų | 87 | 39% | 0.388 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 178.9 | -62.8 | -178.3 | 151.8 | 0 | 0 | 111.8 | R101 S102 A103 H108 L109 F110 | R101-E106 IonicContact CZ-OE1 3.15Å; R101-E106 IonicContact NE-OE1 3.82Å; R101-E106 PolarHBondContact NE-OE1 3.28Å; R101-E106 IonicContact NH2-OE1 3.79Å; R101-E106 PolarHBondContact NH2-OE1 2.89Å; S102-E106 PolarHBondContact O-N 3.46Å; A103-E106 WeakPolarHBondContact O-CB 3.37Å; A103-E106 PolarHBondContact O-N 3.25Å; A103-E106 VanDerWaalsContact O-N 3.07Å; E106-H108 PolarHBondContact O-N 2.96Å; E106-L109 PolarHBondContact O-N 3.47Å; E106-F110 VanDerWaalsContact O-CB 3.29Å; E106-F110 WeakPolarHBondContact O-CB 3.44Å; E106-F110 PolarHBondContact O-N 3Å |
| 107 | E | 84.8 | Confident | 87.2 | Confident | 111 Ų | 111 | 88.7 Ų | 88.7 | 52% | 0.519 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 176.8 | -72.3 | 177.1 | -178.5 | 0 | 0 | 112.2 | A103 L109 F110 W111 | A103-E107 WeakPolarHBondContact O-CG 3.34Å; A103-E107 PolarHBondContact O-N 3.17Å; E107-L109 PolarHBondContact O-N 3.25Å; E107-F110 WeakPolarHBondContact O-CB 3.49Å; E107-F110 PolarHBondContact O-N 2.92Å; E107-W111 PolarHBondContact O-N 2.96Å |
| 108 | H | 83.9 | Confident | 87.4 | Confident | 115 Ų | 115 | 89.5 Ų | 89.5 | 53% | 0.532 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 177 | -78.8 | -50.1 | 0 | 0 | 0 | 112.9 | L104 M105 E106 K112 | L104-H108 PolarHBondContact O-CD2 2.9Å; L104-H108 PolarHBondContact O-N 3.34Å; M105-H108 PolarHBondContact O-N 3.48Å; E106-H108 PolarHBondContact O-N 2.96Å; H108-K112 VanDerWaalsContact O-CG 3.29Å; H108-K112 WeakPolarHBondContact O-CG 3.47Å; H108-K112 PolarHBondContact O-N 3.41Å; H108-K112 VanDerWaalsContact O-N 3.17Å |
| 109 | L | 85.4 | Confident | 87.7 | Confident | 91 Ų | 91 | 89.8 Ų | 89.8 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 175.2 | -99.3 | 64.6 | 0 | 0 | 0 | 111 | M105 E106 E107 K112 F113 | M105-L109 HydrophobicContact CE-CD1 3.36Å; M105-L109 HydrophobicContact CE-CD2 4.15Å; M105-L109 HydrophobicContact CE-CG 4.42Å; M105-L109 HydrophobicContact CG-CD1 4.39Å; M105-L109 WeakPolarHBondContact O-CD1 3.33Å; M105-L109 PolarHBondContact O-N 3.3Å; M105-L109 VanDerWaalsContact O-N 3.07Å; M105-L109 HydrophobicContact SD-CD1 3.47Å; M105-L109 WeakPolarHBondContact SD-CD1 3.33Å; E106-L109 PolarHBondContact O-N 3.47Å; E107-L109 PolarHBondContact O-N 3.25Å; L109-K112 PolarHBondContact O-N 3.48Å; L109-F113 WeakPolarHBondContact O-CB 3.45Å; L109-F113 PolarHBondContact O-N 3.07Å |
| 110 | F | 88.4 | Confident | 87.9 | Confident | 122 Ų | 122 | 92.1 Ų | 92.1 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58 | -52.1 | 177.1 | 178.3 | -98.2 | 0 | 0 | 0 | 111.1 | E106 E107 K112 F113 E114 | E106-F110 VanDerWaalsContact O-CB 3.29Å; E106-F110 WeakPolarHBondContact O-CB 3.44Å; E106-F110 PolarHBondContact O-N 3Å; E107-F110 WeakPolarHBondContact O-CB 3.49Å; E107-F110 PolarHBondContact O-N 2.92Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 3.44Å; F110-F113 PolarHBondContact O-N 3.45Å; F110-F113 VanDerWaalsContact O-N 3.17Å; F110-E114 WeakPolarHBondContact O-CB 3.3Å; F110-E114 PolarHBondContact O-N 3.27Å |
| 111 | W | 92.1 | Very high | 88.2 | Confident | 187 Ų | 187 | 96 Ų | 96 | 71% | 0.708 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -38.2 | 179.6 | -93.1 | 95.8 | 0 | 0 | 0 | 113.5 | E107 A115 | E107-W111 PolarHBondContact O-N 2.96Å; W111-A115 WeakPolarHBondContact O-CB 3.3Å; W111-A115 PolarHBondContact O-N 3.25Å |
| 112 | K | 88.9 | Confident | 88.8 | Confident | 151 Ų | 151 | 90.8 Ų | 90.8 | 66% | 0.657 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 175.3 | -75.5 | 173.9 | -179.7 | 174.7 | 0 | 111.8 | H108 L109 F110 A116 | H108-K112 VanDerWaalsContact O-CG 3.29Å; H108-K112 WeakPolarHBondContact O-CG 3.47Å; H108-K112 PolarHBondContact O-N 3.41Å; H108-K112 VanDerWaalsContact O-N 3.17Å; L109-K112 PolarHBondContact O-N 3.48Å; F110-K112 VanDerWaalsContact C-N 3.33Å; F110-K112 PolarHBondContact O-N 3.44Å; K112-A116 WeakPolarHBondContact O-CB 3.23Å; K112-A116 PolarHBondContact O-N 3.49Å; K112-A116 VanDerWaalsContact O-N 3.08Å |
| 113 | F | 90 | Very high | 89.5 | Confident | 126 Ų | 126 | 94 Ų | 94 | 55% | 0.553 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -50 | 178.4 | 174.1 | -98.9 | 0 | 0 | 0 | 111.4 | L109 F110 A115 A116 M117 | L109-F113 WeakPolarHBondContact O-CB 3.45Å; L109-F113 PolarHBondContact O-N 3.07Å; F110-F113 PolarHBondContact O-N 3.45Å; F110-F113 VanDerWaalsContact O-N 3.17Å; F113-A115 PolarHBondContact O-N 2.95Å; F113-A116 WeakPolarHBondContact O-CB 3.46Å; F113-A116 PolarHBondContact O-N 2.9Å; F113-A116 VanDerWaalsContact O-N 3.13Å; F113-M117 HydrophobicContact CD1-CG 4.29Å; F113-M117 HydrophobicContact CD2-CG 4.25Å; F113-M117 HydrophobicContact CE1-CG 3.81Å; F113-M117 HydrophobicContact CE2-CG 3.77Å; F113-M117 HydrophobicContact CE2-SD 4.12Å; F113-M117 HydrophobicContact CZ-CG 3.53Å; F113-M117 HydrophobicContact CZ-SD 4.12Å; F113-M117 WeakPolarHBondContact O-CG 3.27Å; F113-M117 PolarHBondContact O-N 2.97Å |
| 114 | E | 94.4 | Very high | 90.1 | Very high | 76 Ų | 76 | 96.6 Ų | 96.6 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 179.7 | -170.9 | 64.8 | -161.6 | 0 | 0 | 110.8 | F110 A116 M117 L118 | F110-E114 WeakPolarHBondContact O-CB 3.3Å; F110-E114 PolarHBondContact O-N 3.27Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 2.82Å; E114-M117 PolarHBondContact O-N 3.2Å; E114-L118 HydrophobicContact CG-CD1 4.16Å; E114-L118 WeakPolarHBondContact O-CB 3.48Å; E114-L118 VanDerWaalsContact O-CG 3.3Å; E114-L118 WeakPolarHBondContact O-CG 3.3Å; E114-L118 PolarHBondContact O-N 3Å |
| 115 | A | 94.9 | Very high | 91.1 | Very high | 51 Ų | 51 | 93.8 Ų | 93.8 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | W111 F113 A119 | W111-A115 WeakPolarHBondContact O-CB 3.3Å; W111-A115 PolarHBondContact O-N 3.25Å; F113-A115 PolarHBondContact O-N 2.95Å; A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 2.82Å |
| 116 | A | 93.9 | Very high | 92 | Very high | 58 Ų | 58 | 94.9 Ų | 94.9 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | K112 F113 E114 A119 L120 | K112-A116 WeakPolarHBondContact O-CB 3.23Å; K112-A116 PolarHBondContact O-N 3.49Å; K112-A116 VanDerWaalsContact O-N 3.08Å; F113-A116 WeakPolarHBondContact O-CB 3.46Å; F113-A116 PolarHBondContact O-N 2.9Å; F113-A116 VanDerWaalsContact O-N 3.13Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 2.82Å; A116-A119 PolarHBondContact O-N 3.33Å; A116-L120 VanDerWaalsContact O-CB 3.31Å; A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 PolarHBondContact O-N 3.44Å |
| 117 | M | 94.1 | Very high | 92.6 | Very high | 81 Ų | 81 | 95.5 Ų | 95.5 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 178.4 | -70.7 | -58.2 | -63.2 | 0 | 0 | 112.4 | F113 E114 L120 T121 | F113-M117 HydrophobicContact CD1-CG 4.29Å; F113-M117 HydrophobicContact CD2-CG 4.25Å; F113-M117 HydrophobicContact CE1-CG 3.81Å; F113-M117 HydrophobicContact CE2-CG 3.77Å; F113-M117 HydrophobicContact CE2-SD 4.12Å; F113-M117 HydrophobicContact CZ-CG 3.53Å; F113-M117 HydrophobicContact CZ-SD 4.12Å; F113-M117 WeakPolarHBondContact O-CG 3.27Å; F113-M117 PolarHBondContact O-N 2.97Å; E114-M117 PolarHBondContact O-N 3.2Å; M117-L120 PolarHBondContact O-N 3.02Å; M117-L120 HydrophobicContact SD-CD2 4.49Å; M117-T121 WeakPolarHBondContact O-CB 3.4Å; M117-T121 PolarHBondContact O-N 2.89Å; M117-T121 PolarHBondContact O-OG1 3.42Å |
| 118 | L | 96.8 | Very high | 93.1 | Very high | 100 Ų | 100 | 93.9 Ų | 93.9 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 173.2 | -74 | 172.8 | 0 | 0 | 0 | 111.3 | E114 L120 T121 V122 | E114-L118 HydrophobicContact CG-CD1 4.16Å; E114-L118 WeakPolarHBondContact O-CB 3.48Å; E114-L118 VanDerWaalsContact O-CG 3.3Å; E114-L118 WeakPolarHBondContact O-CG 3.3Å; E114-L118 PolarHBondContact O-N 3Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.03Å; L118-T121 WeakPolarHBondContact O-CB 3.46Å; L118-T121 PolarHBondContact O-N 3.2Å; L118-V122 WeakPolarHBondContact O-CG2 3.27Å; L118-V122 PolarHBondContact O-N 3.18Å |
| 119 | A | 95.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 91.1 Ų | 91.1 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A115 A116 T121 V122 V123 | A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 2.82Å; A116-A119 PolarHBondContact O-N 3.33Å; A119-T121 VanDerWaalsContact C-N 3.3Å; A119-T121 PolarHBondContact O-N 3.06Å; A119-V122 PolarHBondContact O-N 2.88Å; A119-V123 WeakPolarHBondContact O-CG2 3.46Å; A119-V123 PolarHBondContact O-N 2.71Å |
| 120 | L | 95.2 | Very high | 93.9 | Very high | 75 Ų | 75 | 91.7 Ų | 91.7 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 177.6 | -176 | 60.9 | 0 | 0 | 0 | 111.7 | A116 M117 L118 V123 F124 | A116-L120 VanDerWaalsContact O-CB 3.31Å; A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 PolarHBondContact O-N 3.44Å; M117-L120 PolarHBondContact O-N 3.02Å; M117-L120 HydrophobicContact SD-CD2 4.49Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.03Å; L120-V123 PolarHBondContact O-N 3.07Å; L120-F124 HydrophobicContact CD1-CD2 3.88Å; L120-F124 HydrophobicContact CD1-CE2 3.35Å; L120-F124 HydrophobicContact CD1-CZ 4.08Å; L120-F124 HydrophobicContact CD2-CE2 4.06Å; L120-F124 HydrophobicContact CG-CD2 3.8Å; L120-F124 HydrophobicContact CG-CE2 3.5Å; L120-F124 WeakPolarHBondContact O-CD2 3.41Å; L120-F124 PolarHBondContact O-N 2.91Å |
| 121 | T | 94.3 | Very high | 94.2 | Very high | 89 Ų | 89 | 94 Ų | 94 | 55% | 0.546 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 177.2 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | M117 L118 A119 V123 F124 A125 | M117-T121 WeakPolarHBondContact O-CB 3.4Å; M117-T121 PolarHBondContact O-N 2.89Å; M117-T121 PolarHBondContact O-OG1 3.42Å; L118-T121 WeakPolarHBondContact O-CB 3.46Å; L118-T121 PolarHBondContact O-N 3.2Å; A119-T121 VanDerWaalsContact C-N 3.3Å; A119-T121 PolarHBondContact O-N 3.06Å; T121-V123 VanDerWaalsContact C-N 3.34Å; T121-V123 PolarHBondContact O-N 3.32Å; T121-F124 PolarHBondContact O-N 2.98Å; T121-A125 WeakPolarHBondContact O-CB 3.35Å; T121-A125 PolarHBondContact O-N 2.9Å |
| 122 | V | 97.4 | Very high | 94.3 | Very high | 93 Ų | 93 | 90.2 Ų | 90.2 | 56% | 0.564 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.1 | -44.5 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L118 A119 F124 A125 V126 | L118-V122 WeakPolarHBondContact O-CG2 3.27Å; L118-V122 PolarHBondContact O-N 3.18Å; A119-V122 PolarHBondContact O-N 2.88Å; V122-F124 PolarHBondContact O-N 3.26Å; V122-A125 PolarHBondContact O-N 2.83Å; V122-V126 HydrophobicContact CG1-CG2 4.44Å; V122-V126 WeakPolarHBondContact O-CG2 3.46Å; V122-V126 PolarHBondContact O-N 3.44Å |
| 123 | V | 95.9 | Very high | 94.5 | Very high | 80 Ų | 80 | 90.9 Ų | 90.9 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 177.1 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | A119 L120 T121 A125 V126 L127 | A119-V123 WeakPolarHBondContact O-CG2 3.46Å; A119-V123 PolarHBondContact O-N 2.71Å; L120-V123 PolarHBondContact O-N 3.07Å; T121-V123 VanDerWaalsContact C-N 3.34Å; T121-V123 PolarHBondContact O-N 3.32Å; V123-A125 PolarHBondContact O-N 3.24Å; V123-V126 PolarHBondContact O-N 3.37Å; V123-L127 HydrophobicContact CG1-CD1 4.05Å; V123-L127 VanDerWaalsContact O-CG 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 2.84Å |
| 124 | F | 94.4 | Very high | 94.5 | Very high | 117 Ų | 117 | 89.8 Ų | 89.8 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 178.4 | -77.6 | -59.7 | 0 | 0 | 0 | 112.7 | L120 T121 V122 V126 L127 V128 | L120-F124 HydrophobicContact CD1-CD2 3.88Å; L120-F124 HydrophobicContact CD1-CE2 3.35Å; L120-F124 HydrophobicContact CD1-CZ 4.08Å; L120-F124 HydrophobicContact CD2-CE2 4.06Å; L120-F124 HydrophobicContact CG-CD2 3.8Å; L120-F124 HydrophobicContact CG-CE2 3.5Å; L120-F124 WeakPolarHBondContact O-CD2 3.41Å; L120-F124 PolarHBondContact O-N 2.91Å; T121-F124 PolarHBondContact O-N 2.98Å; V122-F124 PolarHBondContact O-N 3.26Å; F124-V126 PolarHBondContact O-N 3.42Å; F124-L127 HydrophobicContact CD1-CD1 4.36Å; F124-L127 PolarHBondContact O-N 3.19Å; F124-V128 WeakPolarHBondContact O-CG2 3.07Å; F124-V128 PolarHBondContact O-N 3.2Å |
| 125 | A | 95.1 | Very high | 94.3 | Very high | 53 Ų | 53 | 90.2 Ų | 90.2 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T121 V122 V123 L127 V128 V129 | T121-A125 WeakPolarHBondContact O-CB 3.35Å; T121-A125 PolarHBondContact O-N 2.9Å; V122-A125 PolarHBondContact O-N 2.83Å; V123-A125 PolarHBondContact O-N 3.24Å; A125-L127 PolarHBondContact O-N 2.86Å; A125-V128 PolarHBondContact O-N 3.43Å; A125-V129 WeakPolarHBondContact O-CG2 3.22Å; A125-V129 PolarHBondContact O-N 2.8Å |
| 126 | V | 95.3 | Very high | 94.1 | Very high | 77 Ų | 77 | 92.7 Ų | 92.7 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111.3 | V122 V123 F124 V128 V129 I130 | V122-V126 HydrophobicContact CG1-CG2 4.44Å; V122-V126 WeakPolarHBondContact O-CG2 3.46Å; V122-V126 PolarHBondContact O-N 3.44Å; V123-V126 PolarHBondContact O-N 3.37Å; F124-V126 PolarHBondContact O-N 3.42Å; V126-V128 VanDerWaalsContact C-N 3.33Å; V126-V128 PolarHBondContact O-N 3.5Å; V126-V129 PolarHBondContact O-N 3.34Å; V126-I130 HydrophobicContact CG1-CD1 3.74Å; V126-I130 HydrophobicContact CG1-CG1 4.4Å; V126-I130 WeakPolarHBondContact O-CG1 3.25Å; V126-I130 PolarHBondContact O-N 3.5Å |
| 127 | L | 94 | Very high | 93.9 | Very high | 97 Ų | 97 | 98.3 Ų | 98.3 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 177.9 | -72 | 172.8 | 0 | 0 | 0 | 112.1 | V123 F124 A125 R131 | V123-L127 HydrophobicContact CG1-CD1 4.05Å; V123-L127 VanDerWaalsContact O-CG 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 2.84Å; F124-L127 HydrophobicContact CD1-CD1 4.36Å; F124-L127 PolarHBondContact O-N 3.19Å; A125-L127 PolarHBondContact O-N 2.86Å; L127-R131 WeakPolarHBondContact O-CB 3.46Å; L127-R131 PolarHBondContact O-N 3.11Å |
| 128 | V | 95.5 | Very high | 93.6 | Very high | 76 Ų | 76 | 97.2 Ų | 97.2 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | F124 A125 V126 I130 R131 Q132 | F124-V128 WeakPolarHBondContact O-CG2 3.07Å; F124-V128 PolarHBondContact O-N 3.2Å; A125-V128 PolarHBondContact O-N 3.43Å; V126-V128 VanDerWaalsContact C-N 3.33Å; V126-V128 PolarHBondContact O-N 3.5Å; V128-I130 PolarHBondContact O-N 3.48Å; V128-R131 PolarHBondContact O-N 2.95Å; V128-Q132 HydrophobicContact CG1-CG 4.38Å; V128-Q132 WeakPolarHBondContact O-CG 3.19Å; V128-Q132 PolarHBondContact O-N 3.49Å |
| 129 | V | 95.4 | Very high | 93.3 | Very high | 58 Ų | 58 | 95 Ų | 95 | 35% | 0.352 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | A125 V126 R131 Q132 R133 | A125-V129 WeakPolarHBondContact O-CG2 3.22Å; A125-V129 PolarHBondContact O-N 2.8Å; V126-V129 PolarHBondContact O-N 3.34Å; V129-R131 VanDerWaalsContact C-N 3.31Å; V129-R131 PolarHBondContact O-N 2.9Å; V129-Q132 PolarHBondContact O-N 2.99Å; V129-R133 HydrophobicContact CG1-CG 4.4Å; V129-R133 WeakPolarHBondContact O-CB 3.3Å; V129-R133 WeakPolarHBondContact O-CG 3.18Å; V129-R133 PolarHBondContact O-N 3.23Å |
| 130 | I | 90.6 | Very high | 92.5 | Very high | 102 Ų | 102 | 95.6 Ų | 95.6 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 176.9 | -69.8 | 168.6 | 0 | 0 | 0 | 110.3 | V126 V128 R133 W134 | V126-I130 HydrophobicContact CG1-CD1 3.74Å; V126-I130 HydrophobicContact CG1-CG1 4.4Å; V126-I130 WeakPolarHBondContact O-CG1 3.25Å; V126-I130 PolarHBondContact O-N 3.5Å; V128-I130 PolarHBondContact O-N 3.48Å; I130-R133 PolarHBondContact O-N 3.45Å; I130-W134 WeakPolarHBondContact O-CB 3.28Å; I130-W134 PolarHBondContact O-N 3.13Å |
| 131 | R | 94.6 | Very high | 92.1 | Very high | 172 Ų | 172 | 96.6 Ų | 96.6 | 65% | 0.649 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 178.3 | 178.8 | -179.1 | 169.6 | 179.1 | -4.4 | 111.9 | L127 V128 V129 W134 L135 | L127-R131 WeakPolarHBondContact O-CB 3.46Å; L127-R131 PolarHBondContact O-N 3.11Å; V128-R131 PolarHBondContact O-N 2.95Å; V129-R131 VanDerWaalsContact C-N 3.31Å; V129-R131 PolarHBondContact O-N 2.9Å; R131-W134 PolarHBondContact O-N 3.13Å; R131-L135 HydrophobicContact CG-CD1 4.37Å; R131-L135 WeakPolarHBondContact O-CG 3.17Å; R131-L135 PolarHBondContact O-N 3.45Å |
| 132 | Q | 92.8 | Very high | 91.7 | Very high | 107 Ų | 107 | 99.6 Ų | 99.6 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -50.6 | 177 | -75.4 | 174.3 | -12.6 | 0 | 0 | 110.6 | V128 V129 W134 L135 D136 | V128-Q132 HydrophobicContact CG1-CG 4.38Å; V128-Q132 WeakPolarHBondContact O-CG 3.19Å; V128-Q132 PolarHBondContact O-N 3.49Å; V129-Q132 PolarHBondContact O-N 2.99Å; Q132-W134 PolarHBondContact O-N 2.93Å; Q132-L135 PolarHBondContact O-N 2.95Å; Q132-D136 VanDerWaalsContact O-CG 3.3Å; Q132-D136 PolarHBondContact O-N 2.89Å |
| 133 | R | 93.3 | Very high | 91 | Very high | 164 Ų | 164 | 99 Ų | 99 | 62% | 0.619 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.2 | -36.9 | 176.9 | -73.3 | 179.1 | -179.8 | -178.7 | 1.3 | 113.1 | V129 I130 R137 | V129-R133 HydrophobicContact CG1-CG 4.4Å; V129-R133 WeakPolarHBondContact O-CB 3.3Å; V129-R133 WeakPolarHBondContact O-CG 3.18Å; V129-R133 PolarHBondContact O-N 3.23Å; I130-R133 PolarHBondContact O-N 3.45Å; R133-R137 VanDerWaalsContact O-CG 3.3Å; R133-R137 WeakPolarHBondContact O-CG 3.45Å; R133-R137 PolarHBondContact O-N 3.35Å; R133-R137 VanDerWaalsContact O-N 3.07Å |
| 134 | W | 89.9 | Confident | 90.3 | Very high | 104 Ų | 104 | 103 Ų | 103 | 39% | 0.394 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 176.8 | -173.3 | 81.3 | 0 | 0 | 0 | 111.8 | I7 V9 I130 R131 Q132 R137 L138 | I7-W134 HydrophobicContact CG2-CH2 4.29Å; V9-W134 HydrophobicContact CG2-CH2 3.93Å; V9-W134 HydrophobicContact CG2-CZ2 4.49Å; V9-W134 HydrophobicContact CG2-CZ3 4.48Å; I130-W134 WeakPolarHBondContact O-CB 3.28Å; I130-W134 PolarHBondContact O-N 3.13Å; R131-W134 PolarHBondContact O-N 3.13Å; Q132-W134 PolarHBondContact O-N 2.93Å; W134-R137 PolarHBondContact O-N 3.46Å; W134-L138 HydrophobicContact CD2-CD1 3.95Å; W134-L138 HydrophobicContact CE3-CD1 3.62Å; W134-L138 HydrophobicContact CH2-CD1 3.34Å; W134-L138 HydrophobicContact CZ2-CD1 3.65Å; W134-L138 HydrophobicContact CZ2-CG 4.47Å; W134-L138 HydrophobicContact CZ3-CD1 3.31Å; W134-L138 WeakPolarHBondContact O-CG 3.32Å; W134-L138 PolarHBondContact O-N 2.78Å; W134-L138 VanDerWaalsContact O-N 3.13Å |
| 135 | L | 91.8 | Very high | 89.6 | Confident | 84 Ų | 84 | 103.4 Ų | 103.4 | 44% | 0.44 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.2 | -69.9 | 171.8 | 0 | 0 | 0 | 112.1 | R131 Q132 R137 L138 A139 | R131-L135 HydrophobicContact CG-CD1 4.37Å; R131-L135 WeakPolarHBondContact O-CG 3.17Å; R131-L135 PolarHBondContact O-N 3.45Å; Q132-L135 PolarHBondContact O-N 2.95Å; L135-R137 PolarHBondContact O-N 2.81Å; L135-L138 PolarHBondContact O-N 3.44Å; L135-A139 PolarHBondContact O-N 2.84Å |
| 136 | D | 89.4 | Confident | 88.7 | Confident | 104 Ų | 104 | 107.1 Ų | 107.1 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -39 | 177.7 | -65.6 | -24.8 | 0 | 0 | 0 | 112 | Q132 A139 S140 | Q132-D136 VanDerWaalsContact O-CG 3.3Å; Q132-D136 PolarHBondContact O-N 2.89Å; D136-A139 PolarHBondContact O-N 3.42Å; D136-S140 PolarHBondContact O-N 3.13Å; D136-S140 PolarHBondContact O-OG 2.81Å |
| 137 | R | 89.6 | Confident | 88.1 | Confident | 175 Ų | 175 | 108.9 Ų | 108.9 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -43.7 | 172.6 | -75.2 | 177.1 | -175.7 | -138.7 | 1.3 | 111.6 | R133 W134 L135 A139 S140 E141 | R133-R137 VanDerWaalsContact O-CG 3.3Å; R133-R137 WeakPolarHBondContact O-CG 3.45Å; R133-R137 PolarHBondContact O-N 3.35Å; R133-R137 VanDerWaalsContact O-N 3.07Å; W134-R137 PolarHBondContact O-N 3.46Å; L135-R137 PolarHBondContact O-N 2.81Å; R137-A139 PolarHBondContact O-N 2.86Å; R137-S140 WeakPolarHBondContact CA-OG 3.34Å; R137-S140 PolarHBondContact O-N 3.38Å; R137-S140 PolarHBondContact O-OG 3.46Å; R137-E141 WeakPolarHBondContact O-CB 3.29Å; R137-E141 WeakPolarHBondContact O-CG 3.36Å; R137-E141 PolarHBondContact O-N 3.37Å |
| 138 | L | 89.4 | Confident | 87.3 | Confident | 58 Ų | 58 | 110.1 Ų | 110.1 | 30% | 0.304 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 176.7 | -70.9 | 176.1 | 0 | 0 | 0 | 112.9 | W134 L135 K142 | W134-L138 HydrophobicContact CD2-CD1 3.95Å; W134-L138 HydrophobicContact CE3-CD1 3.62Å; W134-L138 HydrophobicContact CH2-CD1 3.34Å; W134-L138 HydrophobicContact CZ2-CD1 3.65Å; W134-L138 HydrophobicContact CZ2-CG 4.47Å; W134-L138 HydrophobicContact CZ3-CD1 3.31Å; W134-L138 WeakPolarHBondContact O-CG 3.32Å; W134-L138 PolarHBondContact O-N 2.78Å; W134-L138 VanDerWaalsContact O-N 3.13Å; L135-L138 PolarHBondContact O-N 3.44Å; L138-K142 VanDerWaalsContact O-CG 3.32Å; L138-K142 WeakPolarHBondContact O-CG 3.18Å; L138-K142 PolarHBondContact O-N 3.15Å; L138-K142 VanDerWaalsContact O-N 3.13Å |
| 139 | A | 89 | Confident | 86.4 | Confident | 53 Ų | 53 | 111.2 Ų | 111.2 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L135 D136 R137 E141 K142 V143 | L135-A139 PolarHBondContact O-N 2.84Å; D136-A139 PolarHBondContact O-N 3.42Å; R137-A139 PolarHBondContact O-N 2.86Å; A139-E141 PolarHBondContact O-N 2.85Å; A139-K142 WeakPolarHBondContact O-CB 3.44Å; A139-K142 PolarHBondContact O-N 3.31Å; A139-V143 PolarHBondContact O-N 3.18Å; A139-V143 VanDerWaalsContact O-N 3.11Å |
| 140 | S | 78.9 | Confident | 84.8 | Confident | 69 Ų | 69 | 118 Ų | 118 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.4 | -38.6 | 177.4 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | D136 R137 K142 V143 R144 | D136-S140 PolarHBondContact O-N 3.13Å; D136-S140 PolarHBondContact O-OG 2.81Å; R137-S140 WeakPolarHBondContact CA-OG 3.34Å; R137-S140 PolarHBondContact O-N 3.38Å; R137-S140 PolarHBondContact O-OG 3.46Å; S140-K142 VanDerWaalsContact C-N 3.32Å; S140-K142 PolarHBondContact O-N 3.36Å; S140-V143 PolarHBondContact O-N 3.17Å; S140-R144 WeakPolarHBondContact O-CB 3.43Å; S140-R144 PolarHBondContact O-N 3.33Å |
| 141 | E | 87.9 | Confident | 84.5 | Confident | 96 Ų | 96 | 118.8 Ų | 118.8 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.9 | -38.3 | 172.7 | -78.1 | 179.4 | -161.8 | 0 | 0 | 112.7 | R137 A139 R145 | R137-E141 WeakPolarHBondContact O-CB 3.29Å; R137-E141 WeakPolarHBondContact O-CG 3.36Å; R137-E141 PolarHBondContact O-N 3.37Å; A139-E141 PolarHBondContact O-N 2.85Å; E141-R145 WeakPolarHBondContact O-CG 3.34Å; E141-R145 PolarHBondContact O-N 2.88Å; E141-R145 VanDerWaalsContact O-N 3.17Å; E141-R145 IonicContact OE2-NH2 2.73Å |
| 142 | K | 85.6 | Confident | 84 | Confident | 152 Ų | 152 | 116 Ų | 116 | 66% | 0.661 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64 | -46.6 | 176.2 | -75.2 | 174.2 | -178.7 | -177.6 | 0 | 111.5 | L138 A139 S140 R144 R145 Q146 | L138-K142 VanDerWaalsContact O-CG 3.32Å; L138-K142 WeakPolarHBondContact O-CG 3.18Å; L138-K142 PolarHBondContact O-N 3.15Å; L138-K142 VanDerWaalsContact O-N 3.13Å; A139-K142 WeakPolarHBondContact O-CB 3.44Å; A139-K142 PolarHBondContact O-N 3.31Å; S140-K142 VanDerWaalsContact C-N 3.32Å; S140-K142 PolarHBondContact O-N 3.36Å; K142-R144 VanDerWaalsContact C-N 3.35Å; K142-R145 PolarHBondContact O-N 3.14Å; K142-Q146 PolarHBondContact O-N 3.43Å |
| 143 | V | 82.9 | Confident | 83.5 | Confident | 81 Ų | 81 | 116.5 Ų | 116.5 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -44.5 | 178 | 175 | 0 | 0 | 0 | 0 | 110.7 | A139 S140 R145 Q146 I147 | A139-V143 PolarHBondContact O-N 3.18Å; A139-V143 VanDerWaalsContact O-N 3.11Å; S140-V143 PolarHBondContact O-N 3.17Å; V143-R145 PolarHBondContact O-N 3.1Å; V143-Q146 WeakPolarHBondContact O-CB 3.44Å; V143-Q146 PolarHBondContact O-N 2.89Å; V143-Q146 VanDerWaalsContact O-N 3.13Å; V143-I147 HydrophobicContact CG1-CD1 4.24Å; V143-I147 PolarHBondContact O-N 3.24Å |
| 144 | R | 80.3 | Confident | 83 | Confident | 164 Ų | 164 | 113.7 Ų | 113.7 | 62% | 0.619 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.9 | -40.2 | -178.3 | -171.3 | 174.8 | 166.7 | -140.7 | -16.2 | 112.9 | S140 K142 Q146 I147 E148 | S140-R144 WeakPolarHBondContact O-CB 3.43Å; S140-R144 PolarHBondContact O-N 3.33Å; K142-R144 VanDerWaalsContact C-N 3.35Å; R144-Q146 VanDerWaalsContact C-N 3.3Å; R144-Q146 PolarHBondContact O-N 3.43Å; R144-I147 PolarHBondContact O-N 3.33Å; R144-E148 IonicContact CZ-OE1 3.95Å; R144-E148 VanDerWaalsContact CZ-OE1 3.3Å; R144-E148 IonicContact NE-OE1 3.25Å; R144-E148 PolarHBondContact NE-OE1 3.41Å; R144-E148 VanDerWaalsContact NE-OE1 3.15Å; R144-E148 IonicContact NH2-OE1 2.69Å; R144-E148 PolarHBondContact NH2-OE1 3.08Å; R144-E148 PolarHBondContact O-N 2.91Å; R144-E148 VanDerWaalsContact O-N 3.14Å |
| 145 | R | 79.8 | Confident | 82.5 | Confident | 126 Ų | 126 | 114.3 Ų | 114.3 | 48% | 0.475 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.9 | -29.4 | 176 | -70.6 | -174.4 | -158.3 | 159.8 | 10.9 | 113.5 | E141 K142 V143 I147 S149 | E141-R145 WeakPolarHBondContact O-CG 3.34Å; E141-R145 PolarHBondContact O-N 2.88Å; E141-R145 VanDerWaalsContact O-N 3.17Å; E141-R145 IonicContact OE2-NH2 2.73Å; K142-R145 PolarHBondContact O-N 3.14Å; V143-R145 PolarHBondContact O-N 3.1Å; R145-I147 VanDerWaalsContact C-N 3.29Å; R145-S149 PolarHBondContact O-N 3.16Å; R145-S149 PolarHBondContact O-OG 2.98Å |
| 146 | Q | 77.3 | Confident | 81.9 | Confident | 130 Ų | 130 | 116.3 Ų | 116.3 | 61% | 0.607 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -33.1 | 173.8 | -69.5 | -176.9 | -53.4 | 0 | 0 | 111.8 | K142 V143 R144 S149 I150 | K142-Q146 PolarHBondContact O-N 3.43Å; V143-Q146 WeakPolarHBondContact O-CB 3.44Å; V143-Q146 PolarHBondContact O-N 2.89Å; V143-Q146 VanDerWaalsContact O-N 3.13Å; R144-Q146 VanDerWaalsContact C-N 3.3Å; R144-Q146 PolarHBondContact O-N 3.43Å; Q146-S149 PolarHBondContact O-OG 3.02Å; Q146-I150 WeakPolarHBondContact O-CG1 3.42Å |
| 147 | I | 82.2 | Confident | 81.4 | Confident | 114 Ų | 114 | 117.2 Ų | 117.2 | 59% | 0.585 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -75.1 | -38.9 | 178.5 | -60.3 | 167.7 | 0 | 0 | 0 | 111.2 | V143 R144 R145 S149 | V143-I147 HydrophobicContact CG1-CD1 4.24Å; V143-I147 PolarHBondContact O-N 3.24Å; R144-I147 PolarHBondContact O-N 3.33Å; R145-I147 VanDerWaalsContact C-N 3.29Å; I147-S149 PolarHBondContact O-N 3.35Å |
| 148 | E | 78.3 | Confident | 80.7 | Confident | 124 Ų | 124 | 112.8 Ų | 112.8 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.8 | -14.1 | 178.9 | -73 | 172.4 | -179 | 0 | 0 | 113.6 | R144 | R144-E148 IonicContact CZ-OE1 3.95Å; R144-E148 VanDerWaalsContact CZ-OE1 3.3Å; R144-E148 IonicContact NE-OE1 3.25Å; R144-E148 PolarHBondContact NE-OE1 3.41Å; R144-E148 VanDerWaalsContact NE-OE1 3.15Å; R144-E148 IonicContact NH2-OE1 2.69Å; R144-E148 PolarHBondContact NH2-OE1 3.08Å; R144-E148 PolarHBondContact O-N 2.91Å; R144-E148 VanDerWaalsContact O-N 3.14Å |
| 149 | S | 74.6 | Confident | 80 | Confident | 98 Ų | 98 | 117.3 Ų | 117.3 | 69% | 0.685 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -2 | 178.4 | 64.7 | 0 | 0 | 0 | 0 | 115.1 | R145 Q146 I147 | R145-S149 PolarHBondContact O-N 3.16Å; R145-S149 PolarHBondContact O-OG 2.98Å; Q146-S149 PolarHBondContact O-OG 3.02Å; I147-S149 PolarHBondContact O-N 3.35Å |
| 150 | I | 63.5 | Low | 79.2 | Confident | 201 Ų | 201 | 123.2 Ų | 123.2 | 100% | 1.031 | 61% | 0.606 | S | S | * | * | trans | -94.6 | 0 | 174.8 | -66.8 | 168.4 | 0 | 0 | 0 | 108.2 | Q146 | Q146-I150 WeakPolarHBondContact O-CG1 3.42Š|
Retrieved 150 of 150 residues in 157.6 ms
(Link to these results)