| 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 | 59.7 | Low | 75.8 | Confident | 222 Ų | 222 | 121.2 Ų | 121.2 | 100% | 1.094 | 59% | 0.593 | S | S | * | * | 0 | 125.2 | 0 | -70 | -65.3 | 168.7 | 0 | 0 | 107.3 | L6 | M1-L6 HydrophobicContact CB-CD1 3.89Š| |||
| 2 | D | 78.4 | Confident | 76.4 | Confident | 87 Ų | 87 | 124.5 Ų | 124.5 | 47% | 0.465 | 60% | 0.603 | S | S | . | * | trans | -67.9 | 128.4 | -175.9 | -167.8 | -40.9 | 0 | 0 | 0 | 110.9 | S4 L5 L6 | D2-S4 VanDerWaalsContact CG-OG 3.23Å; D2-S4 PolarHBondContact O-N 2.74Å; D2-S4 PolarHBondContact OD1-N 3.23Å; D2-S4 PolarHBondContact OD1-OG 3.3Å; D2-L5 HydrophobicContact CB-CD1 4.09Å; D2-L5 HydrophobicContact CB-CG 4.43Å; D2-L5 PolarHBondContact O-N 3.38Å; D2-L6 VanDerWaalsContact O-CD1 3.25Å; D2-L6 WeakPolarHBondContact O-CD1 3.38Å; D2-L6 PolarHBondContact O-N 2.74Å | ||
| 3 | P | 74.9 | Confident | 77 | Confident | 88 Ų | 88 | 126.2 Ų | 126.2 | 57% | 0.571 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.4 | -16.6 | -177.8 | 26.2 | -36.3 | 0 | 0 | 0 | 114.8 | R7 | P3-R7 PolarHBondContact O-NE 3.32Å; P3-R7 VanDerWaalsContact O-NE 3.16Å |
| 4 | S | 72.1 | Confident | 77.3 | Confident | 43 Ų | 43 | 128.6 Ų | 128.6 | 30% | 0.301 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.4 | -44.3 | 172.8 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | D2 L6 R7 D8 | D2-S4 VanDerWaalsContact CG-OG 3.23Å; D2-S4 PolarHBondContact O-N 2.74Å; D2-S4 PolarHBondContact OD1-N 3.23Å; D2-S4 PolarHBondContact OD1-OG 3.3Å; S4-L6 VanDerWaalsContact C-N 3.32Å; S4-L6 PolarHBondContact O-N 2.94Å; S4-R7 WeakPolarHBondContact O-CB 3.11Å; S4-R7 PolarHBondContact O-N 2.91Å; S4-R7 VanDerWaalsContact O-N 3.12Å; S4-D8 PolarHBondContact O-N 3.18Å |
| 5 | L | 74.6 | Confident | 77.2 | Confident | 118 Ų | 118 | 133 Ų | 133 | 62% | 0.618 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.5 | -33.4 | 179.4 | -76.6 | 169.2 | 0 | 0 | 0 | 113.1 | D2 R9 | D2-L5 HydrophobicContact CB-CD1 4.09Å; D2-L5 HydrophobicContact CB-CG 4.43Å; D2-L5 PolarHBondContact O-N 3.38Å; L5-R9 WeakPolarHBondContact O-CB 3.31Å; L5-R9 PolarHBondContact O-N 2.84Å; L5-R9 VanDerWaalsContact O-N 3.13Å |
| 6 | L | 73.9 | Confident | 77.2 | Confident | 82 Ų | 82 | 128.4 Ų | 128.4 | 43% | 0.429 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66 | -42.3 | 173.5 | -82.2 | 89.2 | 0 | 0 | 0 | 111.5 | M1 D2 S4 R9 E10 | M1-L6 HydrophobicContact CB-CD1 3.89Å; D2-L6 VanDerWaalsContact O-CD1 3.25Å; D2-L6 WeakPolarHBondContact O-CD1 3.38Å; D2-L6 PolarHBondContact O-N 2.74Å; S4-L6 VanDerWaalsContact C-N 3.32Å; S4-L6 PolarHBondContact O-N 2.94Å; L6-R9 PolarHBondContact O-N 3.07Å; L6-E10 WeakPolarHBondContact O-CG 3.47Å; L6-E10 PolarHBondContact O-N 3.21Å; L6-E10 VanDerWaalsContact O-N 3.11Å |
| 7 | R | 76.3 | Confident | 76.9 | Confident | 156 Ų | 156 | 129.1 Ų | 129.1 | 59% | 0.589 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.5 | -44.8 | 177.9 | -80 | -177.5 | -84.7 | 153.9 | -12.1 | 111.8 | P3 S4 R9 E10 L11 | P3-R7 PolarHBondContact O-NE 3.32Å; P3-R7 VanDerWaalsContact O-NE 3.16Å; S4-R7 WeakPolarHBondContact O-CB 3.11Å; S4-R7 PolarHBondContact O-N 2.91Å; S4-R7 VanDerWaalsContact O-N 3.12Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 3.27Å; R7-E10 PolarHBondContact O-N 3.04Å; R7-L11 WeakPolarHBondContact O-CG 3.26Å; R7-L11 PolarHBondContact O-N 3.43Å |
| 8 | D | 79.4 | Confident | 76.5 | Confident | 99 Ų | 99 | 127.1 Ų | 127.1 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.4 | -38.2 | 179.5 | -70.7 | -12.9 | 0 | 0 | 0 | 112.1 | S4 E10 L11 F12 | S4-D8 PolarHBondContact O-N 3.18Å; D8-E10 VanDerWaalsContact C-N 3.33Å; D8-E10 PolarHBondContact O-N 3.41Å; D8-L11 PolarHBondContact O-N 3.19Å; D8-F12 WeakPolarHBondContact O-CB 3.2Å; D8-F12 PolarHBondContact O-N 2.66Å |
| 9 | R | 81 | Confident | 76.1 | Confident | 197 Ų | 197 | 125.2 Ų | 125.2 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.4 | -43 | 174 | -179.3 | -175.8 | 172.7 | -153.1 | -0.6 | 111.8 | L5 L6 R7 K13 | L5-R9 WeakPolarHBondContact O-CB 3.31Å; L5-R9 PolarHBondContact O-N 2.84Å; L5-R9 VanDerWaalsContact O-N 3.13Å; L6-R9 PolarHBondContact O-N 3.07Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 3.27Å; R9-K13 WeakPolarHBondContact O-CB 3.46Å; R9-K13 PolarHBondContact O-N 2.98Å; R9-K13 VanDerWaalsContact O-N 3.08Å |
| 10 | E | 82 | Confident | 75.4 | Confident | 130 Ų | 130 | 124.6 Ų | 124.6 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.1 | -42.4 | 178.5 | -72.8 | 174.5 | -166.6 | 0 | 0 | 111.9 | L6 R7 D8 K13 K14 | L6-E10 WeakPolarHBondContact O-CG 3.47Å; L6-E10 PolarHBondContact O-N 3.21Å; L6-E10 VanDerWaalsContact O-N 3.11Å; R7-E10 PolarHBondContact O-N 3.04Å; D8-E10 VanDerWaalsContact C-N 3.33Å; D8-E10 PolarHBondContact O-N 3.41Å; E10-K13 PolarHBondContact O-N 3.35Å; E10-K14 WeakPolarHBondContact O-CB 3.33Å; E10-K14 PolarHBondContact O-N 2.92Å |
| 11 | L | 81.8 | Confident | 74.7 | Confident | 111 Ų | 111 | 124.7 Ų | 124.7 | 58% | 0.581 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.9 | -43.3 | 176.5 | -72.2 | 174.4 | 0 | 0 | 0 | 112.1 | R7 D8 K14 R15 | R7-L11 WeakPolarHBondContact O-CG 3.26Å; R7-L11 PolarHBondContact O-N 3.43Å; D8-L11 PolarHBondContact O-N 3.19Å; L11-K14 PolarHBondContact O-N 3.34Å; L11-R15 WeakPolarHBondContact O-CB 3.4Å; L11-R15 PolarHBondContact O-N 2.92Å |
| 12 | F | 83.1 | Confident | 74.5 | Confident | 161 Ų | 161 | 120.1 Ų | 120.1 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63 | -46.1 | 177.2 | -176.9 | -97.4 | 0 | 0 | 0 | 111.8 | D8 K14 R15 A16 | D8-F12 WeakPolarHBondContact O-CB 3.2Å; D8-F12 PolarHBondContact O-N 2.66Å; F12-K14 PolarHBondContact O-N 3.37Å; F12-R15 PolarHBondContact O-N 2.96Å; F12-A16 PolarHBondContact O-N 3.36Å |
| 13 | K | 83.4 | Confident | 73.6 | Confident | 146 Ų | 146 | 122.5 Ų | 122.5 | 64% | 0.635 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.4 | -41.4 | 176.5 | -173.2 | 179.1 | 176.7 | -175.5 | 0 | 111.7 | R9 E10 R15 L17 | R9-K13 WeakPolarHBondContact O-CB 3.46Å; R9-K13 PolarHBondContact O-N 2.98Å; R9-K13 VanDerWaalsContact O-N 3.08Å; E10-K13 PolarHBondContact O-N 3.35Å; K13-R15 VanDerWaalsContact C-N 3.34Å; K13-R15 PolarHBondContact O-N 3.37Å; K13-L17 HydrophobicContact CG-CD1 4.15Å; K13-L17 WeakPolarHBondContact O-CG 3.25Å; K13-L17 PolarHBondContact O-N 3.16Å |
| 14 | K | 81.6 | Confident | 72.6 | Confident | 161 Ų | 161 | 128.1 Ų | 128.1 | 70% | 0.7 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.1 | -42.1 | 174.9 | -106.1 | -174.9 | 165.7 | 176.3 | 0 | 112 | E10 L11 F12 L17 S18 | E10-K14 WeakPolarHBondContact O-CB 3.33Å; E10-K14 PolarHBondContact O-N 2.92Å; L11-K14 PolarHBondContact O-N 3.34Å; F12-K14 PolarHBondContact O-N 3.37Å; K14-L17 PolarHBondContact O-N 3.43Å; K14-S18 WeakPolarHBondContact O-CB 3.26Å; K14-S18 PolarHBondContact O-N 2.74Å |
| 15 | R | 75.9 | Confident | 71.4 | Confident | 194 Ų | 194 | 135.7 Ų | 135.7 | 73% | 0.732 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68 | -41.9 | -179 | -167.9 | 171.3 | -177 | 163.5 | 0.6 | 112.2 | L11 F12 K13 L17 S18 T19 | L11-R15 WeakPolarHBondContact O-CB 3.4Å; L11-R15 PolarHBondContact O-N 2.92Å; F12-R15 PolarHBondContact O-N 2.96Å; K13-R15 VanDerWaalsContact C-N 3.34Å; K13-R15 PolarHBondContact O-N 3.37Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.46Å; R15-S18 PolarHBondContact O-N 2.96Å; R15-T19 PolarHBondContact O-N 3.36Å |
| 16 | A | 76.9 | Confident | 70.2 | Confident | 59 Ų | 59 | 133.7 Ų | 133.7 | 49% | 0.488 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.2 | -36.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | F12 S18 T19 | F12-A16 PolarHBondContact O-N 3.36Å; A16-S18 VanDerWaalsContact C-N 3.3Å; A16-T19 PolarHBondContact O-OG1 3.18Å |
| 17 | L | 72.5 | Confident | 68.3 | Low | 140 Ų | 140 | 136.7 Ų | 136.7 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.9 | -22 | 176.8 | -68.7 | 167.7 | 0 | 0 | 0 | 113 | K13 K14 R15 | K13-L17 HydrophobicContact CG-CD1 4.15Å; K13-L17 WeakPolarHBondContact O-CG 3.25Å; K13-L17 PolarHBondContact O-N 3.16Å; K14-L17 PolarHBondContact O-N 3.43Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.46Å |
| 18 | S | 69.8 | Low | 67.1 | Low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -93.5 | -10.1 | -176.5 | -174.3 | 0 | 0 | 0 | 0 | 113.9 | K14 R15 A16 P20 | K14-S18 WeakPolarHBondContact O-CB 3.26Å; K14-S18 PolarHBondContact O-N 2.74Å; R15-S18 PolarHBondContact O-N 2.96Å; A16-S18 VanDerWaalsContact C-N 3.3Å; S18-P20 WeakPolarHBondContact O-CD 3.42Å |
| 19 | T | 68.6 | Low | 65 | Low | 90 Ų | 90 | 136.1 Ų | 136.1 | 55% | 0.552 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -82.9 | 111.9 | 175.4 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | R15 A16 V21 | R15-T19 PolarHBondContact O-N 3.36Å; A16-T19 PolarHBondContact O-OG1 3.18Å; T19-V21 PolarHBondContact O-N 3.02Å |
| 20 | P | 63.1 | Low | 63 | Low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -64 | 129.7 | 172.6 | 27.1 | -33.1 | 0 | 0 | 0 | 109.4 | S18 V22 | S18-P20 WeakPolarHBondContact O-CD 3.42Å; P20-V22 PolarHBondContact O-N 2.93Å | ||
| 21 | V | 60.7 | Low | 61 | Low | 128 Ų | 128 | 134.6 Ų | 134.6 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -58.4 | 119.2 | 168.1 | 152.2 | 0 | 0 | 0 | 0 | 107.9 | T19 E23 | T19-V21 PolarHBondContact O-N 3.02Å; V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 HydrophobicContact CG1-CG 4.29Å; V21-E23 PolarHBondContact O-N 3.04Å; V21-E23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | V | 54.3 | Low | 59.8 | Low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -77.1 | 92 | 168.6 | 177.2 | 0 | 0 | 0 | 0 | 107 | P20 K24 | P20-V22 PolarHBondContact O-N 2.93Å; V22-K24 PolarHBondContact O-N 3.11Å | ||
| 23 | E | 59 | Low | 57.3 | Low | 137 Ų | 137 | 132.6 Ų | 132.6 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | trans | -59.3 | 112.4 | 161.5 | -76.4 | -163.6 | 135.3 | 0 | 0 | 108.2 | V21 R25 | V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 HydrophobicContact CG1-CG 4.29Å; V21-E23 PolarHBondContact O-N 3.04Å; V21-E23 VanDerWaalsContact O-N 3.08Å; E23-R25 PolarHBondContact O-N 3.47Å; E23-R25 IonicContact OE2-NH1 3.34Å; E23-R25 PolarHBondContact OE2-NH1 2.96Å | ||
| 24 | K | 53.7 | Low | 54.9 | Low | 206 Ų | 206 | 130.5 Ų | 130.5 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | trans | -78.8 | 98.7 | 155.6 | -72.5 | -160.6 | 176.6 | -173.8 | 0 | 107.7 | V22 | V22-K24 PolarHBondContact O-N 3.11Š| ||
| 25 | R | 47.8 | Very low | 52.4 | Low | 201 Ų | 201 | 127.7 Ų | 127.7 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | trans | -102.4 | 142.9 | 170.4 | -164.3 | 175.4 | -156.4 | 124 | 0.5 | 107.7 | E23 | E23-R25 PolarHBondContact O-N 3.47Å; E23-R25 IonicContact OE2-NH1 3.34Å; E23-R25 PolarHBondContact OE2-NH1 2.96Å | ||
| 26 | A | 49.3 | Very low | 50.4 | Low | 76 Ų | 76 | 123.2 Ų | 123.2 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | cis | -168.3 | 174.4 | -5.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 27 | V | 34.7 | Very low | 48.5 | Very low | 145 Ų | 145 | 125 Ų | 125 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | -135.4 | 145.6 | 125.4 | -75.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 28 | P | 51.4 | Low | 46.9 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -102.7 | 154.4 | -160.3 | 38.2 | -29 | 0 | 0 | 0 | 113 | ||||
| 29 | S | 35 | Very low | 45.7 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -156 | 140.1 | 143.6 | -162 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 30 | E | 37.9 | Very low | 44.6 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -83 | 134.5 | -162 | -58.4 | 177.6 | 96.4 | 0 | 0 | 112.6 | ||||
| 31 | S | 39.7 | Very low | 43.8 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 29.5 | -176.6 | 142.9 | -43 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 32 | P | 57.9 | Low | 42.7 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | -118.1 | 147.3 | -99 | 34.2 | -15.9 | 0 | 0 | 0 | 113.9 | |||||
| 33 | S | 30.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -172 | 117 | 164.2 | 44.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 34 | S | 32.2 | Very low | 41.2 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | 79.8 | 129.6 | 101 | 76.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 35 | S | 30.4 | Very low | 40.3 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | 64 | 110.8 | 142.6 | 71.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 36 | S | 33 | Very low | 39.8 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | 101.7 | 118.8 | 84.7 | 74.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 37 | S | 38.2 | Very low | 39 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | 56.1 | 127.5 | 141.2 | 47.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 38 | K | 38.8 | Very low | 39 | Very low | 187 Ų | 187 | 131.7 Ų | 131.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | 99.5 | 123.6 | 128.8 | -80.9 | 166.6 | -174.2 | 168 | 0 | 120.4 | |||||
| 39 | K | 43.8 | Very low | 38.7 | Very low | 168 Ų | 168 | 132 Ų | 132 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | 87.1 | 110.6 | 136.7 | -78.3 | -165.1 | -179.5 | -179.4 | 0 | 117.7 | ||||
| 40 | K | 45.9 | Very low | 39 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | 86.3 | 133.7 | 93.6 | -83.8 | -167.9 | 177.9 | -170.7 | 0 | 110.4 | |||||
| 41 | K | 44.9 | Very low | 39.5 | Very low | 171 Ų | 171 | 126.4 Ų | 126.4 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | cis | -167.5 | 135.9 | 23.7 | -115.2 | 178.8 | -178.5 | -166.3 | 0 | 106.5 | ||||
| 42 | A | 38.8 | Very low | 39.6 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | 79.5 | 133.9 | 104.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 43 | K | 42.8 | Very low | 39.2 | Very low | 189 Ų | 189 | 130 Ų | 130 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | cis | -173.9 | 175.9 | 15.8 | 178.3 | 180 | 168.9 | -178.4 | 0 | 106.8 | ||||
| 44 | V | 39.4 | Very low | 39.8 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | trans | 103.4 | 114.7 | 150.8 | 178.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 45 | E | 33.2 | Very low | 40 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -158 | 160 | 2.9 | -43.3 | -149.8 | 101.9 | 0 | 0 | 111.5 | ||||
| 46 | H | 38.8 | Very low | 40.8 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 93% | 0.931 | 77% | 0.769 | S | S | * | * | trans | 48.4 | 127.7 | 153.1 | -96.7 | -9.1 | 0 | 0 | 0 | 120.9 | ||||
| 47 | G | 32 | Very low | 41.3 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | cis | -176.7 | 142.3 | 4.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 48 | G | 33.7 | Very low | 42 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | 103 | 98.4 | 102.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 49 | S | 46.5 | Very low | 42.4 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -26.6 | 135.6 | 164.8 | -54 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 50 | S | 41.3 | Very low | 42.8 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | -159.7 | 105.8 | 129.2 | -165.6 | 0 | 0 | 0 | 0 | 109.8 | S52 | S50-S52 PolarHBondContact O-N 3.29Å; S50-S52 VanDerWaalsContact O-N 3.16Å | |||
| 51 | G | 47.4 | Very low | 43 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | trans | -65.2 | 107.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | K53 | G51-K53 PolarHBondContact O-N 3.19Š| ||
| 52 | S | 42.4 | Very low | 43.3 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -91.2 | 97 | 170 | -138 | 0 | 0 | 0 | 0 | 108.5 | S50 Q54 | S50-S52 PolarHBondContact O-N 3.29Å; S50-S52 VanDerWaalsContact O-N 3.16Å; S52-Q54 VanDerWaalsContact C-N 3.29Å; S52-Q54 PolarHBondContact O-N 3.03Å | ||
| 53 | K | 49.2 | Very low | 44.2 | Very low | 206 Ų | 206 | 126.4 Ų | 126.4 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | trans | -60.3 | 97 | 153 | -72.9 | 178.3 | 175.6 | 177.4 | 0 | 106.4 | G51 N55 | G51-K53 PolarHBondContact O-N 3.19Å; K53-N55 PolarHBondContact O-N 2.71Å | ||
| 54 | Q | 43.3 | Very low | 44.9 | Very low | 180 Ų | 180 | 123.3 Ų | 123.3 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | trans | -92.7 | 94.7 | 164.6 | -156.6 | 164.5 | 11.6 | 0 | 0 | 108.8 | S52 | S52-Q54 VanDerWaalsContact C-N 3.29Å; S52-Q54 PolarHBondContact O-N 3.03Å | ||
| 55 | N | 36.5 | Very low | 45.7 | Very low | 116 Ų | 116 | 122 Ų | 122 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | trans | 5.7 | 122 | 145.9 | -159.1 | 23.4 | 0 | 0 | 0 | 116.1 | K53 D57 | K53-N55 PolarHBondContact O-N 2.71Å; N55-D57 PolarHBondContact O-N 3.49Å; N55-D57 VanDerWaalsContact O-N 3.08Å | ||
| 56 | S | 47.4 | Very low | 46.8 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | -52 | 102.6 | 157.1 | 42.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 57 | D | 42.3 | Very low | 47.5 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | trans | -155.1 | 99.8 | 152.6 | -93 | -56.1 | 0 | 0 | 0 | 110.5 | N55 N59 | N55-D57 PolarHBondContact O-N 3.49Å; N55-D57 VanDerWaalsContact O-N 3.08Å; D57-N59 PolarHBondContact O-N 3.2Å | ||
| 58 | H | 53 | Low | 48.6 | Very low | 185 Ų | 185 | 120.3 Ų | 120.3 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | 46.8 | 36.7 | 142.4 | -55.9 | 89.7 | 0 | 0 | 0 | 119.6 | N60 | H58-N60 VanDerWaalsContact C-N 3.34Å; H58-N60 PolarHBondContact O-N 2.94Å | ||
| 59 | N | 48.2 | Very low | 49.2 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | -83.7 | 82.3 | 174.4 | -142.9 | -55.8 | 0 | 0 | 0 | 111.1 | D57 G61 | D57-N59 PolarHBondContact O-N 3.2Å; N59-G61 PolarHBondContact O-N 3.1Å; N59-G61 VanDerWaalsContact O-N 3.09Å | ||
| 60 | N | 52.9 | Low | 49.7 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 49% | 0.492 | 69% | 0.69 | S | S | . | * | trans | -60.1 | 104.7 | 165 | -171.3 | -87.5 | 0 | 0 | 0 | 108.9 | H58 | H58-N60 VanDerWaalsContact C-N 3.34Å; H58-N60 PolarHBondContact O-N 2.94Å | ||
| 61 | G | 49.6 | Very low | 50.6 | Low | 45 Ų | 45 | 119 Ų | 119 | 46% | 0.464 | 69% | 0.691 | S | S | . | * | trans | 46 | 90.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N59 F63 | N59-G61 PolarHBondContact O-N 3.1Å; N59-G61 VanDerWaalsContact O-N 3.09Å; G61-F63 VanDerWaalsContact C-N 3.28Å; G61-F63 WeakPolarHBondContact O-CD2 3.4Å; G61-F63 PolarHBondContact O-N 3.06Å | ||
| 62 | S | 50.1 | Low | 51.5 | Low | 98 Ų | 98 | 118 Ų | 118 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | trans | -61.5 | 91 | 164.8 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | N64 | S62-N64 PolarHBondContact O-N 3.07Š| ||
| 63 | F | 58.8 | Low | 53.3 | Low | 146 Ų | 146 | 113.7 Ų | 113.7 | 64% | 0.64 | 64% | 0.644 | S | S | * | * | trans | -69.6 | 108.8 | 169.5 | -69.2 | -81.3 | 0 | 0 | 0 | 107.5 | G61 L65 | G61-F63 VanDerWaalsContact C-N 3.28Å; G61-F63 WeakPolarHBondContact O-CD2 3.4Å; G61-F63 PolarHBondContact O-N 3.06Å; F63-L65 HydrophobicContact CB-CD1 3.92Å; F63-L65 HydrophobicContact CB-CG 4.46Å; F63-L65 PolarHBondContact O-N 2.91Å | ||
| 64 | N | 56.9 | Low | 55 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 66% | 0.663 | 62% | 0.621 | S | S | * | * | trans | -72.6 | 72.2 | 178 | -117.5 | -79.6 | 0 | 0 | 0 | 110.5 | S62 K66 | S62-N64 PolarHBondContact O-N 3.07Å; N64-K66 PolarHBondContact O-N 3.45Å | ||
| 65 | L | 57 | Low | 57.1 | Low | 80 Ų | 80 | 103.3 Ų | 103.3 | 42% | 0.419 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -67.8 | -11.9 | -178.8 | -82.3 | 129.3 | 0 | 0 | 0 | 114 | F63 A67 | F63-L65 HydrophobicContact CB-CD1 3.92Å; F63-L65 HydrophobicContact CB-CG 4.46Å; F63-L65 PolarHBondContact O-N 2.91Å; L65-A67 PolarHBondContact O-N 3.34Å |
| 66 | K | 56 | Low | 59.6 | Low | 206 Ų | 206 | 103 Ų | 103 | 90% | 0.896 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -70.1 | -12.8 | 179.8 | -77.2 | 177.3 | 177.2 | 161.4 | 0 | 114.1 | N64 | N64-K66 PolarHBondContact O-N 3.45Š|
| 67 | A | 53.1 | Low | 61.6 | Low | 84 Ų | 84 | 99 Ų | 99 | 69% | 0.694 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -90.8 | -8.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L65 S69 | L65-A67 PolarHBondContact O-N 3.34Å; A67-S69 PolarHBondContact O-N 3.48Å |
| 68 | L | 55.1 | Low | 64 | Low | 111 Ų | 111 | 93.8 Ų | 93.8 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | trans | -103.1 | 74.4 | -176.2 | -60.1 | 174.3 | 0 | 0 | 0 | 110.2 | G70 | L68-G70 PolarHBondContact O-N 3.44Š| ||
| 69 | S | 45.6 | Very low | 65.8 | Low | 131 Ų | 131 | 86.7 Ų | 86.7 | 92% | 0.916 | 50% | 0.503 | S | S | * | . | trans | -71.7 | 94.9 | 173.7 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | A67 | A67-S69 PolarHBondContact O-N 3.48Š| ||
| 70 | G | 57.9 | Low | 67.9 | Low | 43 Ų | 43 | 81.9 Ų | 81.9 | 44% | 0.443 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -179.3 | 147.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | L68 S72 G73 | L68-G70 PolarHBondContact O-N 3.44Å; G70-S72 PolarHBondContact O-N 2.9Å; G70-G73 PolarHBondContact O-N 3.22Å |
| 71 | S | 59.4 | Low | 69.9 | Low | 110 Ų | 110 | 82.4 Ų | 82.4 | 77% | 0.769 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -21.9 | -178.3 | 177.2 | 0 | 0 | 0 | 0 | 114 | G73 | S71-G73 VanDerWaalsContact C-N 3.33Å; S71-G73 PolarHBondContact O-N 2.93Å |
| 72 | S | 67.8 | Low | 72 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 42% | 0.42 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.4 | -25.7 | 174.1 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | G70 Y74 K75 F76 | G70-S72 PolarHBondContact O-N 2.9Å; S72-Y74 PolarHBondContact O-N 3.39Å; S72-K75 PolarHBondContact O-N 3Å; S72-K75 VanDerWaalsContact O-N 3.1Å; S72-F76 WeakPolarHBondContact O-CD2 3.34Å; S72-F76 PolarHBondContact O-N 3.33Å |
| 73 | G | 78.6 | Confident | 74 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 14% | 0.144 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.5 | -34.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G70 S71 G77 | G70-G73 PolarHBondContact O-N 3.22Å; S71-G73 VanDerWaalsContact C-N 3.33Å; S71-G73 PolarHBondContact O-N 2.93Å; G73-G77 PolarHBondContact O-N 3.39Å |
| 74 | Y | 85.8 | Confident | 75.7 | Confident | 104 Ų | 104 | 75.9 Ų | 75.9 | 41% | 0.408 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.2 | -48.4 | 174.4 | 179.4 | -104.7 | 0 | 0 | 0 | 111.9 | S72 F76 G77 V78 I112 Q116 | S72-Y74 PolarHBondContact O-N 3.39Å; Y74-F76 VanDerWaalsContact C-N 3.33Å; Y74-F76 PolarHBondContact O-N 3.42Å; Y74-G77 PolarHBondContact O-N 2.81Å; Y74-V78 HydrophobicContact CD1-CG2 4.39Å; Y74-V78 HydrophobicContact CD2-CG2 4.37Å; Y74-V78 HydrophobicContact CE1-CG2 4.02Å; Y74-V78 HydrophobicContact CE2-CG2 4.01Å; Y74-V78 VanDerWaalsContact O-CG2 3.31Å; Y74-V78 WeakPolarHBondContact O-CG2 3.33Å; Y74-V78 PolarHBondContact O-N 3.15Å; Y74-I112 HydrophobicContact CE1-CG1 4.49Å; Y74-Q116 HydrophobicContact CD1-CG 4.35Å; Y74-Q116 HydrophobicContact CE1-CG 4.25Å |
| 75 | K | 86.7 | Confident | 77.5 | Confident | 64 Ų | 64 | 72.3 Ų | 72.3 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 178.9 | -67.2 | -170.9 | 175.8 | -167.9 | 0 | 111.9 | S72 L79 Q116 W119 | S72-K75 PolarHBondContact O-N 3Å; S72-K75 VanDerWaalsContact O-N 3.1Å; K75-L79 WeakPolarHBondContact O-CB 3.49Å; K75-L79 PolarHBondContact O-N 3.14Å; K75-Q116 HydrophobicContact CG-CG 4.17Å; K75-W119 HydrophobicContact CB-CE3 4.26Å; K75-W119 HydrophobicContact CB-CH2 4.25Å; K75-W119 HydrophobicContact CB-CZ3 3.9Å; K75-W119 HydrophobicContact CD-CD2 4.08Å; K75-W119 HydrophobicContact CD-CE3 4.12Å; K75-W119 HydrophobicContact CD-CZ3 4.46Å; K75-W119 HydrophobicContact CG-CE3 4.45Å |
| 76 | F | 89.6 | Confident | 79.3 | Confident | 110 Ų | 110 | 72.2 Ų | 72.2 | 48% | 0.482 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.2 | -35.3 | 178.8 | -70.9 | -64.5 | 0 | 0 | 0 | 112.6 | S72 Y74 L79 A80 | S72-F76 WeakPolarHBondContact O-CD2 3.34Å; S72-F76 PolarHBondContact O-N 3.33Å; Y74-F76 VanDerWaalsContact C-N 3.33Å; Y74-F76 PolarHBondContact O-N 3.42Å; F76-L79 PolarHBondContact O-N 2.82Å; F76-A80 VanDerWaalsContact O-CB 3.29Å; F76-A80 WeakPolarHBondContact O-CB 3.47Å; F76-A80 PolarHBondContact O-N 3.03Å |
| 77 | G | 90.1 | Very high | 81.1 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 21% | 0.206 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G73 Y74 A80 K81 | G73-G77 PolarHBondContact O-N 3.39Å; Y74-G77 PolarHBondContact O-N 2.81Å; G77-A80 PolarHBondContact O-N 2.77Å; G77-K81 PolarHBondContact O-N 3.12Å; G77-K81 VanDerWaalsContact O-N 3.12Å |
| 78 | V | 91.3 | Very high | 83 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.012 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.8 | -51 | 174.5 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | Y74 A80 K81 I82 I112 L120 | Y74-V78 HydrophobicContact CD1-CG2 4.39Å; Y74-V78 HydrophobicContact CD2-CG2 4.37Å; Y74-V78 HydrophobicContact CE1-CG2 4.02Å; Y74-V78 HydrophobicContact CE2-CG2 4.01Å; Y74-V78 VanDerWaalsContact O-CG2 3.31Å; Y74-V78 WeakPolarHBondContact O-CG2 3.33Å; Y74-V78 PolarHBondContact O-N 3.15Å; V78-A80 VanDerWaalsContact C-N 3.33Å; V78-A80 PolarHBondContact O-N 2.83Å; V78-K81 PolarHBondContact O-N 3.18Å; V78-K81 VanDerWaalsContact O-N 3.12Å; V78-I82 HydrophobicContact CG1-CD1 3.79Å; V78-I82 HydrophobicContact CG1-CG1 4.36Å; V78-I82 WeakPolarHBondContact O-CG1 3.25Å; V78-I82 PolarHBondContact O-N 3.32Å; V78-I112 HydrophobicContact CG1-CD1 3.81Å; V78-I112 HydrophobicContact CG2-CD1 4.38Å; V78-L120 HydrophobicContact CG1-CD1 4.14Å |
| 79 | L | 92.5 | Very high | 84.9 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.5 | -45 | -179.9 | -178.7 | 62.5 | 0 | 0 | 0 | 111.8 | K75 F76 K81 I82 V83 W119 L120 A124 L125 | K75-L79 WeakPolarHBondContact O-CB 3.49Å; K75-L79 PolarHBondContact O-N 3.14Å; F76-L79 PolarHBondContact O-N 2.82Å; L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.16Å; L79-I82 PolarHBondContact O-N 2.9Å; L79-V83 HydrophobicContact CD1-CG2 4.16Å; L79-V83 HydrophobicContact CG-CG2 4.36Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 3.36Å; L79-W119 HydrophobicContact CD2-CH2 4.18Å; L79-L120 HydrophobicContact CD1-CD2 4.22Å; L79-A124 HydrophobicContact CD1-CB 4.04Å; L79-A124 HydrophobicContact CD2-CB 4.36Å; L79-L125 HydrophobicContact CD1-CD2 4.44Å |
| 80 | A | 92.1 | Very high | 87.2 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F76 G77 V78 N84 | F76-A80 VanDerWaalsContact O-CB 3.29Å; F76-A80 WeakPolarHBondContact O-CB 3.47Å; F76-A80 PolarHBondContact O-N 3.03Å; G77-A80 PolarHBondContact O-N 2.77Å; V78-A80 VanDerWaalsContact C-N 3.33Å; V78-A80 PolarHBondContact O-N 2.83Å; A80-N84 VanDerWaalsContact O-CB 3.31Å; A80-N84 WeakPolarHBondContact O-CB 3.09Å; A80-N84 PolarHBondContact O-N 3.03Å |
| 81 | K | 93.3 | Very high | 88.9 | Confident | 104 Ų | 104 | 65.9 Ų | 65.9 | 45% | 0.452 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 178.1 | -171.7 | 144.6 | 164.1 | 178.6 | 0 | 112.1 | G77 V78 L79 N84 Y85 T107 | G77-K81 PolarHBondContact O-N 3.12Å; G77-K81 VanDerWaalsContact O-N 3.12Å; V78-K81 PolarHBondContact O-N 3.18Å; V78-K81 VanDerWaalsContact O-N 3.12Å; L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.16Å; K81-N84 PolarHBondContact O-N 3.42Å; K81-Y85 WeakPolarHBondContact O-CB 3.39Å; K81-Y85 PolarHBondContact O-N 3.32Å; K81-T107 WeakPolarHBondContact CE-O 3.38Å; K81-T107 HydrophobicContact CG-CG2 4.32Å |
| 82 | I | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.1 | -52.3 | 173 | -70.2 | 172.7 | 0 | 0 | 0 | 110.7 | V78 L79 N84 Y85 M86 I103 L104 L120 L125 | V78-I82 HydrophobicContact CG1-CD1 3.79Å; V78-I82 HydrophobicContact CG1-CG1 4.36Å; V78-I82 WeakPolarHBondContact O-CG1 3.25Å; V78-I82 PolarHBondContact O-N 3.32Å; L79-I82 PolarHBondContact O-N 2.9Å; I82-N84 VanDerWaalsContact C-N 3.32Å; I82-N84 PolarHBondContact O-N 3.11Å; I82-Y85 PolarHBondContact O-N 3.07Å; I82-M86 HydrophobicContact CG2-CG 4.45Å; I82-M86 WeakPolarHBondContact O-CG 3.42Å; I82-M86 PolarHBondContact O-N 3.48Å; I82-I103 HydrophobicContact CB-CG2 4.23Å; I82-I103 HydrophobicContact CD1-CG2 4.47Å; I82-I103 HydrophobicContact CG1-CG2 3.85Å; I82-I103 HydrophobicContact CG2-CG2 3.78Å; I82-L104 HydrophobicContact CD1-CD2 4.25Å; I82-L120 HydrophobicContact CD1-CD1 3.89Å; I82-L120 HydrophobicContact CD1-CD2 4.08Å; I82-L125 HydrophobicContact CG2-CD2 4.37Å |
| 83 | V | 93.9 | Very high | 91.7 | Very high | 82 Ų | 82 | 69.7 Ų | 69.7 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | -179.2 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L79 M86 K87 | L79-V83 HydrophobicContact CD1-CG2 4.16Å; L79-V83 HydrophobicContact CG-CG2 4.36Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 3.36Å; V83-M86 PolarHBondContact O-N 3.13Å; V83-K87 VanDerWaalsContact O-CB 3.27Å; V83-K87 WeakPolarHBondContact O-CB 3.27Å; V83-K87 PolarHBondContact O-N 3.36Å |
| 84 | N | 94.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 73.1 Ų | 73.1 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 178.3 | -172.7 | 55.1 | 0 | 0 | 0 | 112.5 | A80 K81 I82 T88 | A80-N84 VanDerWaalsContact O-CB 3.31Å; A80-N84 WeakPolarHBondContact O-CB 3.09Å; A80-N84 PolarHBondContact O-N 3.03Å; K81-N84 PolarHBondContact O-N 3.42Å; I82-N84 VanDerWaalsContact C-N 3.32Å; I82-N84 PolarHBondContact O-N 3.11Å; N84-T88 WeakPolarHBondContact O-CB 3.46Å; N84-T88 PolarHBondContact O-N 2.99Å; N84-T88 PolarHBondContact O-OG1 3.12Å |
| 85 | Y | 94.5 | Very high | 92.3 | Very high | 49 Ų | 49 | 72.9 Ų | 72.9 | 19% | 0.192 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.7 | -52.8 | 174.4 | 172.4 | -98.1 | 0 | 0 | 0 | 111 | K81 I82 K87 T88 R89 L98 I103 E106 T107 | K81-Y85 WeakPolarHBondContact O-CB 3.39Å; K81-Y85 PolarHBondContact O-N 3.32Å; I82-Y85 PolarHBondContact O-N 3.07Å; Y85-K87 VanDerWaalsContact C-N 3.31Å; Y85-K87 PolarHBondContact O-N 3.02Å; Y85-T88 PolarHBondContact O-N 3.27Å; Y85-T88 VanDerWaalsContact O-N 3.15Å; Y85-R89 WeakPolarHBondContact O-CB 3.27Å; Y85-R89 PolarHBondContact O-N 2.87Å; Y85-R89 PolarHBondContact OH-NE 2.95Å; Y85-L98 HydrophobicContact CE1-CD1 3.76Å; Y85-I103 HydrophobicContact CD1-CG2 4.43Å; Y85-E106 HydrophobicContact CE1-CB 4.23Å; Y85-E106 HydrophobicContact CE2-CB 3.87Å; Y85-E106 HydrophobicContact CE2-CG 4.42Å; Y85-E106 WeakPolarHBondContact OH-CG 3.36Å; Y85-T107 HydrophobicContact CD1-CG2 4.44Å; Y85-T107 HydrophobicContact CG-CG2 4.05Å |
| 86 | M | 93.9 | Very high | 92.6 | Very high | 78 Ų | 78 | 74.4 Ų | 74.4 | 38% | 0.384 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 179.6 | -70.4 | -152.9 | 78.5 | 0 | 0 | 112.1 | I82 V83 H90 I103 | I82-M86 HydrophobicContact CG2-CG 4.45Å; I82-M86 WeakPolarHBondContact O-CG 3.42Å; I82-M86 PolarHBondContact O-N 3.48Å; V83-M86 PolarHBondContact O-N 3.13Å; M86-H90 VanDerWaalsContact O-CB 3.26Å; M86-H90 WeakPolarHBondContact O-CB 3.41Å; M86-H90 PolarHBondContact O-N 2.89Å; M86-I103 HydrophobicContact CE-CD1 4.32Å; M86-I103 HydrophobicContact CG-CD1 4.35Å; M86-I103 HydrophobicContact SD-CD1 3.87Å |
| 87 | K | 93.6 | Very high | 92.5 | Very high | 99 Ų | 99 | 75 Ų | 75 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 175.3 | 180 | -178 | 176.8 | -177.2 | 0 | 111.9 | V83 Y85 H90 Q91 | V83-K87 VanDerWaalsContact O-CB 3.27Å; V83-K87 WeakPolarHBondContact O-CB 3.27Å; V83-K87 PolarHBondContact O-N 3.36Å; Y85-K87 VanDerWaalsContact C-N 3.31Å; Y85-K87 PolarHBondContact O-N 3.02Å; K87-H90 PolarHBondContact O-N 3.23Å; K87-Q91 WeakPolarHBondContact O-CB 3.28Å; K87-Q91 VanDerWaalsContact O-CG 3.28Å; K87-Q91 WeakPolarHBondContact O-CG 3.4Å; K87-Q91 PolarHBondContact O-N 3.38Å |
| 88 | T | 93.8 | Very high | 92.6 | Very high | 51 Ų | 51 | 75.5 Ų | 75.5 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | -177.1 | -59 | 0 | 0 | 0 | 0 | 111.3 | N84 Y85 Q91 R92 | N84-T88 WeakPolarHBondContact O-CB 3.46Å; N84-T88 PolarHBondContact O-N 2.99Å; N84-T88 PolarHBondContact O-OG1 3.12Å; Y85-T88 PolarHBondContact O-N 3.27Å; Y85-T88 VanDerWaalsContact O-N 3.15Å; T88-Q91 PolarHBondContact O-N 3.44Å; T88-R92 WeakPolarHBondContact O-CG 3.43Å; T88-R92 PolarHBondContact O-N 3.12Å; T88-R92 VanDerWaalsContact O-N 3.11Å |
| 89 | R | 94.1 | Very high | 92.6 | Very high | 29 Ų | 29 | 79.2 Ų | 79.2 | 11% | 0.109 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.1 | -49.5 | 174 | 155.7 | 177.5 | -99.8 | -104.1 | 3 | 111.8 | Y85 Q91 R92 G93 D94 H96 | Y85-R89 WeakPolarHBondContact O-CB 3.27Å; Y85-R89 PolarHBondContact O-N 2.87Å; Y85-R89 PolarHBondContact OH-NE 2.95Å; R89-Q91 VanDerWaalsContact C-N 3.3Å; R89-Q91 PolarHBondContact O-N 2.94Å; R89-R92 WeakPolarHBondContact O-CB 3.41Å; R89-R92 PolarHBondContact O-N 3.4Å; R89-G93 PolarHBondContact O-N 3.38Å; R89-D94 HydrophobicContact CG-CB 3.76Å; R89-D94 WeakPolarHBondContact CG-O 3.46Å; R89-D94 PolarHBondContact O-N 2.97Å; R89-H96 VanDerWaalsContact CZ-NE2 3.31Å; R89-H96 PolarHBondContact NH1-CD2 2.88Å; R89-H96 PolarHBondContact NH1-CE1 3.48Å; R89-H96 PolarHBondContact NH1-ND1 2.98Å; R89-H96 PolarHBondContact NH1-NE2 2.91Å; R89-H96 PolarHBondContact NH1-O 3.48Å; R89-H96 PolarHBondContact NH2-CE1 2.91Å; R89-H96 PolarHBondContact NH2-NE2 3.08Å |
| 90 | H | 94.5 | Very high | 92.4 | Very high | 123 Ų | 123 | 78.3 Ų | 78.3 | 57% | 0.569 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.2 | -40.1 | 178.8 | -171.6 | 86.7 | 0 | 0 | 0 | 111.9 | M86 K87 R92 G93 | M86-H90 VanDerWaalsContact O-CB 3.26Å; M86-H90 WeakPolarHBondContact O-CB 3.41Å; M86-H90 PolarHBondContact O-N 2.89Å; K87-H90 PolarHBondContact O-N 3.23Å; H90-R92 VanDerWaalsContact C-N 3.26Å; H90-R92 PolarHBondContact O-N 3.33Å; H90-G93 PolarHBondContact O-N 3.24Å; H90-G93 VanDerWaalsContact O-N 3.16Å |
| 91 | Q | 94.2 | Very high | 92.2 | Very high | 140 Ų | 140 | 82.1 Ų | 82.1 | 65% | 0.654 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.1 | -24.7 | 176.1 | -73.5 | -179.4 | -6.9 | 0 | 0 | 113.7 | K87 T88 R89 G93 | K87-Q91 WeakPolarHBondContact O-CB 3.28Å; K87-Q91 VanDerWaalsContact O-CG 3.28Å; K87-Q91 WeakPolarHBondContact O-CG 3.4Å; K87-Q91 PolarHBondContact O-N 3.38Å; T88-Q91 PolarHBondContact O-N 3.44Å; R89-Q91 VanDerWaalsContact C-N 3.3Å; R89-Q91 PolarHBondContact O-N 2.94Å; Q91-G93 VanDerWaalsContact C-N 3.27Å |
| 92 | R | 92.3 | Very high | 92.2 | Very high | 198 Ų | 198 | 81.5 Ų | 81.5 | 75% | 0.747 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -80.2 | -8 | 175.1 | -71.8 | 173.1 | -178.8 | -100.7 | 1 | 113.3 | T88 R89 H90 | T88-R92 WeakPolarHBondContact O-CG 3.43Å; T88-R92 PolarHBondContact O-N 3.12Å; T88-R92 VanDerWaalsContact O-N 3.11Å; R89-R92 WeakPolarHBondContact O-CB 3.41Å; R89-R92 PolarHBondContact O-N 3.4Å; H90-R92 VanDerWaalsContact C-N 3.26Å; H90-R92 PolarHBondContact O-N 3.33Å |
| 93 | G | 92.6 | Very high | 92.1 | Very high | 53 Ų | 53 | 81.7 Ų | 81.7 | 55% | 0.546 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -2.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R89 H90 Q91 T95 | R89-G93 PolarHBondContact O-N 3.38Å; H90-G93 PolarHBondContact O-N 3.24Å; H90-G93 VanDerWaalsContact O-N 3.16Å; Q91-G93 VanDerWaalsContact C-N 3.27Å; G93-T95 PolarHBondContact O-N 3.12Å |
| 94 | D | 88.5 | Confident | 92 | Very high | 86 Ų | 86 | 78.2 Ų | 78.2 | 46% | 0.46 | 40% | 0.4 | S | S | . | . | trans | -82.9 | 84.5 | 177.1 | -72.5 | -36 | 0 | 0 | 0 | 110 | R89 | R89-D94 HydrophobicContact CG-CB 3.76Å; R89-D94 WeakPolarHBondContact CG-O 3.46Å; R89-D94 PolarHBondContact O-N 2.97Å | ||
| 95 | T | 89.3 | Confident | 91.9 | Very high | 98 Ų | 98 | 79.4 Ų | 79.4 | 60% | 0.601 | 41% | 0.407 | S | S | * | . | trans | -97.4 | 8.4 | -175.7 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | G93 | G93-T95 PolarHBondContact O-N 3.12Š| ||
| 96 | H | 91.9 | Very high | 91.7 | Very high | 96 Ų | 96 | 82.5 Ų | 82.5 | 44% | 0.444 | 42% | 0.423 | S | S | . | . | trans | -66.3 | 139.5 | 177.4 | 66.9 | -94.9 | 0 | 0 | 0 | 110.9 | R89 | R89-H96 VanDerWaalsContact CZ-NE2 3.31Å; R89-H96 PolarHBondContact NH1-CD2 2.88Å; R89-H96 PolarHBondContact NH1-CE1 3.48Å; R89-H96 PolarHBondContact NH1-ND1 2.98Å; R89-H96 PolarHBondContact NH1-NE2 2.91Å; R89-H96 PolarHBondContact NH1-O 3.48Å; R89-H96 PolarHBondContact NH2-CE1 2.91Å; R89-H96 PolarHBondContact NH2-NE2 3.08Å | ||
| 97 | P | 89.3 | Confident | 91.5 | Very high | 123 Ų | 123 | 79 Ų | 79 | 80% | 0.799 | 41% | 0.406 | S | S | * | . | trans | -63.6 | 140 | 176.6 | 28.4 | -34.3 | 0 | 0 | 0 | 109.5 | ||||
| 98 | L | 91.1 | Very high | 91.2 | Very high | 30 Ų | 30 | 82.2 Ų | 82.2 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | trans | -115 | 144.2 | 172 | -71.9 | 174.7 | 0 | 0 | 0 | 109.5 | Y85 E102 I103 | Y85-L98 HydrophobicContact CE1-CD1 3.76Å; L98-E102 HydrophobicContact CB-CB 4.46Å; L98-E102 HydrophobicContact CD2-CB 3.99Å; L98-I103 HydrophobicContact CB-CD1 4.05Å; L98-I103 HydrophobicContact CB-CG1 3.71Å; L98-I103 HydrophobicContact CD1-CG1 3.88Å | ||
| 99 | T | 91.3 | Very high | 90.8 | Very high | 80 Ų | 80 | 81.4 Ų | 81.4 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | trans | -71.1 | 159 | 167 | 66.4 | 0 | 0 | 0 | 0 | 110.3 | E101 E102 I103 | T99-E101 PolarHBondContact O-N 3.08Å; T99-E102 WeakPolarHBondContact CB-OE2 3.29Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.47Å; T99-E102 PolarHBondContact N-OE2 2.94Å; T99-E102 PolarHBondContact O-N 3.37Å; T99-E102 VanDerWaalsContact OG1-CD 3.31Å; T99-E102 VanDerWaalsContact OG1-CG 3.31Å; T99-E102 WeakPolarHBondContact OG1-CG 3.4Å; T99-E102 PolarHBondContact OG1-N 3.45Å; T99-E102 PolarHBondContact OG1-OE2 2.92Å; T99-I103 WeakPolarHBondContact O-CG1 3.46Å; T99-I103 PolarHBondContact O-N 2.98Å | ||
| 100 | L | 88.9 | Confident | 90.1 | Very high | 18 Ų | 18 | 85.9 Ų | 85.9 | 9% | 0.094 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.1 | -34.3 | 177.3 | -178.2 | 59.4 | 0 | 0 | 0 | 111.9 | I103 L104 K117 L120 M121 L125 | L100-I103 PolarHBondContact O-N 3.46Å; L100-L104 HydrophobicContact CD1-CD1 4.25Å; L100-L104 HydrophobicContact CD1-CG 4.14Å; L100-L104 HydrophobicContact CD2-CD1 4.4Å; L100-L104 HydrophobicContact CG-CD1 3.85Å; L100-L104 HydrophobicContact CG-CG 4.23Å; L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 WeakPolarHBondContact O-CG 3.34Å; L100-L104 PolarHBondContact O-N 3.23Å; L100-K117 HydrophobicContact CD2-CG 4.08Å; L100-L120 HydrophobicContact CD1-CB 4.39Å; L100-L120 HydrophobicContact CD1-CD1 4.41Å; L100-L120 HydrophobicContact CD2-CB 3.94Å; L100-M121 HydrophobicContact CB-CE 3.98Å; L100-M121 HydrophobicContact CD2-CB 4.46Å; L100-M121 HydrophobicContact CD2-CE 3.76Å; L100-M121 HydrophobicContact CD2-CG 3.27Å; L100-M121 HydrophobicContact CD2-SD 4.28Å; L100-M121 HydrophobicContact CG-CE 4.38Å; L100-L125 HydrophobicContact CD1-CD1 3.68Å |
| 101 | E | 88.1 | Confident | 89.6 | Confident | 119 Ų | 119 | 87.7 Ų | 87.7 | 56% | 0.556 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.3 | -43.4 | -179.1 | -64.5 | -170.8 | 166.5 | 0 | 0 | 112 | T99 I103 L104 D105 K117 | T99-E101 PolarHBondContact O-N 3.08Å; E101-I103 VanDerWaalsContact C-N 3.33Å; E101-I103 PolarHBondContact O-N 3.05Å; E101-L104 PolarHBondContact O-N 3.02Å; E101-D105 PolarHBondContact O-N 2.78Å; E101-K117 IonicContact OE1-NZ 2.66Å; E101-K117 PolarHBondContact OE1-NZ 3.19Å |
| 102 | E | 91.9 | Very high | 89.2 | Confident | 90 Ų | 90 | 82 Ų | 82 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 175.7 | -68.4 | 163.3 | 131.1 | 0 | 0 | 111.5 | L98 T99 L104 D105 E106 | L98-E102 HydrophobicContact CB-CB 4.46Å; L98-E102 HydrophobicContact CD2-CB 3.99Å; T99-E102 WeakPolarHBondContact CB-OE2 3.29Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.47Å; T99-E102 PolarHBondContact N-OE2 2.94Å; T99-E102 PolarHBondContact O-N 3.37Å; T99-E102 VanDerWaalsContact OG1-CD 3.31Å; T99-E102 VanDerWaalsContact OG1-CG 3.31Å; T99-E102 WeakPolarHBondContact OG1-CG 3.4Å; T99-E102 PolarHBondContact OG1-N 3.45Å; T99-E102 PolarHBondContact OG1-OE2 2.92Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 2.89Å; E102-D105 PolarHBondContact O-N 3.09Å; E102-E106 WeakPolarHBondContact O-CB 3.33Å; E102-E106 VanDerWaalsContact O-CG 3.26Å; E102-E106 WeakPolarHBondContact O-CG 3.39Å; E102-E106 PolarHBondContact O-N 3.1Å |
| 103 | I | 91.9 | Very high | 89 | Confident | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.026 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.3 | -64.3 | 169.3 | 0 | 0 | 0 | 110.9 | I82 Y85 M86 L98 T99 L100 E101 T107 | I82-I103 HydrophobicContact CB-CG2 4.23Å; I82-I103 HydrophobicContact CD1-CG2 4.47Å; I82-I103 HydrophobicContact CG1-CG2 3.85Å; I82-I103 HydrophobicContact CG2-CG2 3.78Å; Y85-I103 HydrophobicContact CD1-CG2 4.43Å; M86-I103 HydrophobicContact CE-CD1 4.32Å; M86-I103 HydrophobicContact CG-CD1 4.35Å; M86-I103 HydrophobicContact SD-CD1 3.87Å; L98-I103 HydrophobicContact CB-CD1 4.05Å; L98-I103 HydrophobicContact CB-CG1 3.71Å; L98-I103 HydrophobicContact CD1-CG1 3.88Å; T99-I103 WeakPolarHBondContact O-CG1 3.46Å; T99-I103 PolarHBondContact O-N 2.98Å; L100-I103 PolarHBondContact O-N 3.46Å; E101-I103 VanDerWaalsContact C-N 3.33Å; E101-I103 PolarHBondContact O-N 3.05Å; I103-T107 HydrophobicContact CG2-CG2 4.34Å; I103-T107 WeakPolarHBondContact O-CB 3.47Å; I103-T107 VanDerWaalsContact O-CG2 3.25Å; I103-T107 WeakPolarHBondContact O-CG2 3.48Å; I103-T107 PolarHBondContact O-N 3.2Å; I103-T107 PolarHBondContact O-OG1 3.36Å |
| 104 | L | 91.6 | Very high | 88.8 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 4% | 0.042 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69 | -34.7 | 179.4 | -71.4 | 171 | 0 | 0 | 0 | 112.1 | I82 L100 E101 E102 T107 Q108 H109 I112 L120 | I82-L104 HydrophobicContact CD1-CD2 4.25Å; L100-L104 HydrophobicContact CD1-CD1 4.25Å; L100-L104 HydrophobicContact CD1-CG 4.14Å; L100-L104 HydrophobicContact CD2-CD1 4.4Å; L100-L104 HydrophobicContact CG-CD1 3.85Å; L100-L104 HydrophobicContact CG-CG 4.23Å; L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 WeakPolarHBondContact O-CG 3.34Å; L100-L104 PolarHBondContact O-N 3.23Å; E101-L104 PolarHBondContact O-N 3.02Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 2.89Å; L104-T107 PolarHBondContact O-OG1 2.94Å; L104-Q108 PolarHBondContact O-N 3.07Å; L104-H109 HydrophobicContact CD2-CB 3.91Å; L104-H109 PolarHBondContact O-N 2.92Å; L104-I112 HydrophobicContact CD1-CG2 3.74Å; L104-I112 HydrophobicContact CD2-CD1 4.11Å; L104-I112 HydrophobicContact CD2-CG2 4.13Å; L104-L120 HydrophobicContact CD2-CD1 4.36Å |
| 105 | D | 91.6 | Very high | 88.8 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 51% | 0.508 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.9 | -52.9 | 174.3 | -168.5 | 41.5 | 0 | 0 | 0 | 111 | E101 E102 T107 Q108 L110 | E101-D105 PolarHBondContact O-N 2.78Å; E102-D105 PolarHBondContact O-N 3.09Å; D105-T107 VanDerWaalsContact C-N 3.3Å; D105-T107 PolarHBondContact O-N 3.38Å; D105-Q108 WeakPolarHBondContact O-CA 3.31Å; D105-Q108 PolarHBondContact O-N 3.04Å; D105-L110 HydrophobicContact CB-CD2 4.48Å |
| 106 | E | 91.4 | Very high | 88.8 | Confident | 114 Ų | 114 | 80.2 Ų | 80.2 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61 | -36.2 | 178.8 | -72.2 | -79.8 | -167.3 | 0 | 0 | 113 | Y85 E102 Q108 | Y85-E106 HydrophobicContact CE1-CB 4.23Å; Y85-E106 HydrophobicContact CE2-CB 3.87Å; Y85-E106 HydrophobicContact CE2-CG 4.42Å; Y85-E106 WeakPolarHBondContact OH-CG 3.36Å; E102-E106 WeakPolarHBondContact O-CB 3.33Å; E102-E106 VanDerWaalsContact O-CG 3.26Å; E102-E106 WeakPolarHBondContact O-CG 3.39Å; E102-E106 PolarHBondContact O-N 3.1Å; E106-Q108 VanDerWaalsContact C-N 3.27Å; E106-Q108 PolarHBondContact O-N 3.02Å |
| 107 | T | 89.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.031 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 0.1 | 177 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | K81 Y85 I103 L104 D105 H109 | K81-T107 WeakPolarHBondContact CE-O 3.38Å; K81-T107 HydrophobicContact CG-CG2 4.32Å; Y85-T107 HydrophobicContact CD1-CG2 4.44Å; Y85-T107 HydrophobicContact CG-CG2 4.05Å; I103-T107 HydrophobicContact CG2-CG2 4.34Å; I103-T107 WeakPolarHBondContact O-CB 3.47Å; I103-T107 VanDerWaalsContact O-CG2 3.25Å; I103-T107 WeakPolarHBondContact O-CG2 3.48Å; I103-T107 PolarHBondContact O-N 3.2Å; I103-T107 PolarHBondContact O-OG1 3.36Å; L104-T107 PolarHBondContact O-OG1 2.94Å; D105-T107 VanDerWaalsContact C-N 3.3Å; D105-T107 PolarHBondContact O-N 3.38Å; T107-H109 PolarHBondContact O-CE1 3.46Å; T107-H109 VanDerWaalsContact O-CE1 3.32Å; T107-H109 PolarHBondContact O-ND1 3.23Å; T107-H109 PolarHBondContact OG1-ND1 3.37Å |
| 108 | Q | 88 | Confident | 88.7 | Confident | 165 Ų | 165 | 76.8 Ų | 76.8 | 77% | 0.771 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 39.8 | -177.2 | -52.5 | -174.7 | -77.8 | 0 | 0 | 113.8 | L104 D105 E106 | L104-Q108 PolarHBondContact O-N 3.07Å; D105-Q108 WeakPolarHBondContact O-CA 3.31Å; D105-Q108 PolarHBondContact O-N 3.04Å; E106-Q108 VanDerWaalsContact C-N 3.27Å; E106-Q108 PolarHBondContact O-N 3.02Å |
| 109 | H | 84.1 | Confident | 88.8 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 16% | 0.162 | 39% | 0.387 | C | S | . | . | trans | -111.7 | 42.8 | 176 | -70.9 | 79.9 | 0 | 0 | 0 | 111.7 | L104 T107 D111 I112 | L104-H109 HydrophobicContact CD2-CB 3.91Å; L104-H109 PolarHBondContact O-N 2.92Å; T107-H109 PolarHBondContact O-CE1 3.46Å; T107-H109 VanDerWaalsContact O-CE1 3.32Å; T107-H109 PolarHBondContact O-ND1 3.23Å; T107-H109 PolarHBondContact OG1-ND1 3.37Å; H109-D111 VanDerWaalsContact C-N 3.27Å; H109-D111 PolarHBondContact O-N 3.22Å; H109-I112 WeakPolarHBondContact O-CB 3.31Å; H109-I112 VanDerWaalsContact O-CG2 3.27Å; H109-I112 WeakPolarHBondContact O-CG2 3.31Å; H109-I112 PolarHBondContact O-N 3.5Å | ||
| 110 | L | 79.8 | Confident | 88.8 | Confident | 122 Ų | 122 | 73.6 Ų | 73.6 | 64% | 0.639 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -32.5 | 178.4 | -71.8 | 146.9 | 0 | 0 | 0 | 112.4 | D105 I112 | D105-L110 HydrophobicContact CB-CD2 4.48Å; L110-I112 PolarHBondContact O-N 3.41Å; L110-I112 VanDerWaalsContact O-N 3.14Å |
| 111 | D | 83.1 | Confident | 88.8 | Confident | 161 Ų | 161 | 76.8 Ų | 76.8 | 86% | 0.861 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 20.7 | 179.8 | -60 | -44.2 | 0 | 0 | 0 | 113.8 | H109 G113 | H109-D111 VanDerWaalsContact C-N 3.27Å; H109-D111 PolarHBondContact O-N 3.22Å; D111-G113 PolarHBondContact O-N 3.23Å |
| 112 | I | 86.4 | Confident | 88.9 | Confident | 20 Ų | 20 | 75.3 Ų | 75.3 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | trans | -71.2 | 125.1 | 179.2 | -167.2 | 162.5 | 0 | 0 | 0 | 110.9 | Y74 V78 L104 H109 L110 Q116 K117 L120 | Y74-I112 HydrophobicContact CE1-CG1 4.49Å; V78-I112 HydrophobicContact CG1-CD1 3.81Å; V78-I112 HydrophobicContact CG2-CD1 4.38Å; L104-I112 HydrophobicContact CD1-CG2 3.74Å; L104-I112 HydrophobicContact CD2-CD1 4.11Å; L104-I112 HydrophobicContact CD2-CG2 4.13Å; H109-I112 WeakPolarHBondContact O-CB 3.31Å; H109-I112 VanDerWaalsContact O-CG2 3.27Å; H109-I112 WeakPolarHBondContact O-CG2 3.31Å; H109-I112 PolarHBondContact O-N 3.5Å; L110-I112 PolarHBondContact O-N 3.41Å; L110-I112 VanDerWaalsContact O-N 3.14Å; I112-Q116 HydrophobicContact CD1-CB 3.88Å; I112-Q116 HydrophobicContact CG1-CB 3.53Å; I112-Q116 HydrophobicContact CG1-CG 4.5Å; I112-K117 HydrophobicContact CG2-CB 4.45Å; I112-L120 HydrophobicContact CD1-CD1 3.62Å | ||
| 113 | G | 88.4 | Confident | 88.8 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 33% | 0.33 | 38% | 0.383 | S | S | . | . | trans | -60.2 | 148.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | D111 K115 Q116 K117 | D111-G113 PolarHBondContact O-N 3.23Å; G113-K115 PolarHBondContact O-N 3.46Å; G113-K115 VanDerWaalsContact O-N 3.12Å; G113-Q116 WeakPolarHBondContact O-CA 3.38Å; G113-Q116 WeakPolarHBondContact O-CB 3.39Å; G113-Q116 PolarHBondContact O-N 2.87Å; G113-Q116 PolarHBondContact O-OE1 3.27Å; G113-K117 PolarHBondContact O-N 3.23Å | ||
| 114 | L | 88.5 | Confident | 88.7 | Confident | 142 Ų | 142 | 76.9 Ų | 76.9 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -52.9 | -38.2 | -177.7 | -174.5 | 65.6 | 0 | 0 | 0 | 112.9 | Q116 K117 Q118 | L114-Q116 VanDerWaalsContact C-N 3.35Å; L114-Q116 PolarHBondContact O-N 2.89Å; L114-K117 PolarHBondContact O-N 2.8Å; L114-Q118 WeakPolarHBondContact O-CB 3.29Å; L114-Q118 PolarHBondContact O-N 3.4Å |
| 115 | K | 88.6 | Confident | 88.4 | Confident | 177 Ų | 177 | 80 Ų | 80 | 77% | 0.77 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.4 | -38 | 177.4 | -69.6 | -176.5 | 178.8 | 178.7 | 0 | 112.4 | G113 W119 | G113-K115 PolarHBondContact O-N 3.46Å; G113-K115 VanDerWaalsContact O-N 3.12Å; K115-W119 WeakPolarHBondContact O-CB 3.12Å; K115-W119 PolarHBondContact O-N 3.2Å; K115-W119 VanDerWaalsContact O-N 3.07Å |
| 116 | Q | 88.3 | Confident | 88 | Confident | 48 Ų | 48 | 80.6 Ų | 80.6 | 22% | 0.224 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -74.4 | -40.5 | 177.3 | -68.5 | 84.5 | -14 | 0 | 0 | 111 | Y74 K75 I112 G113 L114 W119 L120 | Y74-Q116 HydrophobicContact CD1-CG 4.35Å; Y74-Q116 HydrophobicContact CE1-CG 4.25Å; K75-Q116 HydrophobicContact CG-CG 4.17Å; I112-Q116 HydrophobicContact CD1-CB 3.88Å; I112-Q116 HydrophobicContact CG1-CB 3.53Å; I112-Q116 HydrophobicContact CG1-CG 4.5Å; G113-Q116 WeakPolarHBondContact O-CA 3.38Å; G113-Q116 WeakPolarHBondContact O-CB 3.39Å; G113-Q116 PolarHBondContact O-N 2.87Å; G113-Q116 PolarHBondContact O-OE1 3.27Å; L114-Q116 VanDerWaalsContact C-N 3.35Å; L114-Q116 PolarHBondContact O-N 2.89Å; Q116-W119 PolarHBondContact O-N 3.21Å; Q116-L120 WeakPolarHBondContact O-CG 3.47Å; Q116-L120 PolarHBondContact O-N 3.49Å |
| 117 | K | 89.1 | Confident | 86.5 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 22% | 0.217 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 172.5 | -173.2 | 178.2 | 179.8 | 178.4 | 0 | 111.3 | L100 E101 I112 G113 L114 W119 L120 M121 | L100-K117 HydrophobicContact CD2-CG 4.08Å; E101-K117 IonicContact OE1-NZ 2.66Å; E101-K117 PolarHBondContact OE1-NZ 3.19Å; I112-K117 HydrophobicContact CG2-CB 4.45Å; G113-K117 PolarHBondContact O-N 3.23Å; L114-K117 PolarHBondContact O-N 2.8Å; K117-W119 PolarHBondContact O-N 3.45Å; K117-L120 PolarHBondContact O-N 3.28Å; K117-M121 HydrophobicContact CG-CE 4.44Å; K117-M121 WeakPolarHBondContact O-CG 3.34Å; K117-M121 PolarHBondContact O-N 3.01Å |
| 118 | Q | 91.4 | Very high | 86.3 | Confident | 97 Ų | 97 | 88.1 Ų | 88.1 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 176.8 | -175 | 60.4 | 72.7 | 0 | 0 | 111.6 | L114 L120 M121 T122 | L114-Q118 WeakPolarHBondContact O-CB 3.29Å; L114-Q118 PolarHBondContact O-N 3.4Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 3.16Å; Q118-M121 PolarHBondContact O-N 3.44Å; Q118-M121 VanDerWaalsContact O-N 3.1Å; Q118-T122 PolarHBondContact O-N 3.36Å; Q118-T122 PolarHBondContact O-OG1 3.2Å |
| 119 | W | 92.6 | Very high | 86.2 | Confident | 41 Ų | 41 | 84.1 Ų | 84.1 | 16% | 0.155 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 177.4 | 179 | 74.5 | 0 | 0 | 0 | 112.7 | K75 L79 K115 Q116 K117 E123 A124 | K75-W119 HydrophobicContact CB-CE3 4.26Å; K75-W119 HydrophobicContact CB-CH2 4.25Å; K75-W119 HydrophobicContact CB-CZ3 3.9Å; K75-W119 HydrophobicContact CD-CD2 4.08Å; K75-W119 HydrophobicContact CD-CE3 4.12Å; K75-W119 HydrophobicContact CD-CZ3 4.46Å; K75-W119 HydrophobicContact CG-CE3 4.45Å; L79-W119 HydrophobicContact CD2-CH2 4.18Å; K115-W119 WeakPolarHBondContact O-CB 3.12Å; K115-W119 PolarHBondContact O-N 3.2Å; K115-W119 VanDerWaalsContact O-N 3.07Å; Q116-W119 PolarHBondContact O-N 3.21Å; K117-W119 PolarHBondContact O-N 3.45Å; W119-E123 PolarHBondContact NE1-OE2 3.29Å; W119-E123 WeakPolarHBondContact O-CA 3.16Å; W119-E123 VanDerWaalsContact O-CB 3.29Å; W119-E123 WeakPolarHBondContact O-CB 3.41Å; W119-E123 PolarHBondContact O-N 3.08Å; W119-A124 HydrophobicContact CD2-CB 4.48Å; W119-A124 HydrophobicContact CE3-CB 4.16Å; W119-A124 HydrophobicContact CH2-CB 3.89Å; W119-A124 HydrophobicContact CZ2-CB 4.21Å; W119-A124 HydrophobicContact CZ3-CB 3.86Å; W119-A124 PolarHBondContact O-N 3.18Å |
| 120 | L | 91.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 86.8 Ų | 86.8 | 1% | 0.01 | 46% | 0.455 | C | S | . | . | I | π-helix | trans | -62.9 | -43.8 | 174.5 | -70.8 | 168.8 | 0 | 0 | 0 | 111.8 | V78 L79 I82 L100 L104 I112 Q116 K117 Q118 A124 L125 | V78-L120 HydrophobicContact CG1-CD1 4.14Å; L79-L120 HydrophobicContact CD1-CD2 4.22Å; I82-L120 HydrophobicContact CD1-CD1 3.89Å; I82-L120 HydrophobicContact CD1-CD2 4.08Å; L100-L120 HydrophobicContact CD1-CB 4.39Å; L100-L120 HydrophobicContact CD1-CD1 4.41Å; L100-L120 HydrophobicContact CD2-CB 3.94Å; L104-L120 HydrophobicContact CD2-CD1 4.36Å; I112-L120 HydrophobicContact CD1-CD1 3.62Å; Q116-L120 WeakPolarHBondContact O-CG 3.47Å; Q116-L120 PolarHBondContact O-N 3.49Å; K117-L120 PolarHBondContact O-N 3.28Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 3.16Å; L120-A124 HydrophobicContact CD2-CB 3.96Å; L120-L125 HydrophobicContact CB-CD1 4.49Å; L120-L125 WeakPolarHBondContact O-CB 3.43Å; L120-L125 WeakPolarHBondContact O-CG 3.45Å; L120-L125 PolarHBondContact O-N 3.16Å |
| 121 | M | 89.4 | Confident | 86.7 | Confident | 84 Ų | 84 | 84.7 Ų | 84.7 | 41% | 0.414 | 44% | 0.444 | S | S | . | . | I | π-helix | trans | -69.9 | -40.1 | -177.9 | -72 | -173.8 | 165.2 | 0 | 0 | 114.3 | L100 K117 Q118 V126 | L100-M121 HydrophobicContact CB-CE 3.98Å; L100-M121 HydrophobicContact CD2-CB 4.46Å; L100-M121 HydrophobicContact CD2-CE 3.76Å; L100-M121 HydrophobicContact CD2-CG 3.27Å; L100-M121 HydrophobicContact CD2-SD 4.28Å; L100-M121 HydrophobicContact CG-CE 4.38Å; K117-M121 HydrophobicContact CG-CE 4.44Å; K117-M121 WeakPolarHBondContact O-CG 3.34Å; K117-M121 PolarHBondContact O-N 3.01Å; Q118-M121 PolarHBondContact O-N 3.44Å; Q118-M121 VanDerWaalsContact O-N 3.1Å; M121-V126 WeakPolarHBondContact O-CG2 3.21Å |
| 122 | T | 89.9 | Confident | 87 | Confident | 89 Ų | 89 | 79.9 Ų | 79.9 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | I | π-helix | trans | -99.7 | -19.4 | -172.8 | 47.4 | 0 | 0 | 0 | 0 | 114.3 | Q118 | Q118-T122 PolarHBondContact O-N 3.36Å; Q118-T122 PolarHBondContact O-OG1 3.2Å |
| 123 | E | 90 | Very high | 87 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | I | π-helix | trans | -125.8 | -56.2 | -170.4 | -142.7 | -179.4 | 152.6 | 0 | 0 | 111.3 | W119 N127 | W119-E123 PolarHBondContact NE1-OE2 3.29Å; W119-E123 WeakPolarHBondContact O-CA 3.16Å; W119-E123 VanDerWaalsContact O-CB 3.29Å; W119-E123 WeakPolarHBondContact O-CB 3.41Å; W119-E123 PolarHBondContact O-N 3.08Å; E123-N127 PolarHBondContact O-ND2 3.34Å |
| 124 | A | 89.5 | Confident | 86.9 | Confident | 22 Ų | 22 | 87.6 Ų | 87.6 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | I | π-helix | trans | -75.3 | -32.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L79 W119 L120 | L79-A124 HydrophobicContact CD1-CB 4.04Å; L79-A124 HydrophobicContact CD2-CB 4.36Å; W119-A124 HydrophobicContact CD2-CB 4.48Å; W119-A124 HydrophobicContact CE3-CB 4.16Å; W119-A124 HydrophobicContact CH2-CB 3.89Å; W119-A124 HydrophobicContact CZ2-CB 4.21Å; W119-A124 HydrophobicContact CZ3-CB 3.86Å; W119-A124 PolarHBondContact O-N 3.18Å; L120-A124 HydrophobicContact CD2-CB 3.96Å |
| 125 | L | 85.4 | Confident | 86.8 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -4 | -175.5 | -61.7 | 175.5 | 0 | 0 | 0 | 114.1 | L79 I82 L100 L120 | L79-L125 HydrophobicContact CD1-CD2 4.44Å; I82-L125 HydrophobicContact CG2-CD2 4.37Å; L100-L125 HydrophobicContact CD1-CD1 3.68Å; L120-L125 HydrophobicContact CB-CD1 4.49Å; L120-L125 WeakPolarHBondContact O-CB 3.43Å; L120-L125 WeakPolarHBondContact O-CG 3.45Å; L120-L125 PolarHBondContact O-N 3.16Å |
| 126 | V | 82.2 | Confident | 86.6 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 66% | 0.655 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -24.8 | -179.6 | 178.4 | 0 | 0 | 0 | 0 | 112 | M121 | M121-V126 WeakPolarHBondContact O-CG2 3.21Š|
| 127 | N | 60.3 | Low | 86.5 | Confident | 189 Ų | 189 | 78.2 Ų | 78.2 | 100% | 1.011 | 41% | 0.411 | S | S | * | . | trans | -81.1 | 0 | 176.9 | -76.6 | -61 | 0 | 0 | 0 | 112.2 | E123 | E123-N127 PolarHBondContact O-ND2 3.34Š|
Retrieved 127 of 127 residues in 96.1 ms
(Link to these results)