| 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 | 57.9 | Low | 79 | Confident | 219 Ų | 219 | 132.7 Ų | 132.7 | 100% | 1.079 | 65% | 0.652 | S | S | * | * | 0 | 111.9 | 0 | -77.9 | -65.1 | -175.1 | 0 | 0 | 106.8 | L6 | M1-L6 HydrophobicContact CB-CD1 4.26Š| |||
| 2 | D | 71.1 | Confident | 79.4 | Confident | 112 Ų | 112 | 134.8 Ų | 134.8 | 60% | 0.599 | 66% | 0.655 | S | S | * | * | trans | -66.7 | 128.8 | -171.8 | -68.8 | -41.4 | 0 | 0 | 0 | 111.7 | S4 L5 | D2-S4 PolarHBondContact O-N 3.16Å; D2-S4 VanDerWaalsContact O-N 3.13Å; D2-L5 HydrophobicContact CB-CD1 4.35Å; D2-L5 PolarHBondContact O-N 3.11Å; D2-L5 VanDerWaalsContact O-N 3.09Å | ||
| 3 | P | 78.8 | Confident | 79.8 | Confident | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.7 | -21.6 | -175.2 | 24.3 | -33.3 | 0 | 0 | 0 | 113.1 | R7 | P3-R7 PolarHBondContact O-N 2.95Å |
| 4 | S | 79.1 | Confident | 80.1 | Confident | 81 Ų | 81 | 136.2 Ų | 136.2 | 57% | 0.566 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.3 | -41.4 | 174.8 | -163.4 | 0 | 0 | 0 | 0 | 112.3 | D2 R7 E8 | D2-S4 PolarHBondContact O-N 3.16Å; D2-S4 VanDerWaalsContact O-N 3.13Å; S4-R7 PolarHBondContact O-N 3.02Å; S4-E8 PolarHBondContact O-N 3.13Å |
| 5 | L | 79.6 | Confident | 80.2 | Confident | 110 Ų | 110 | 139.7 Ų | 139.7 | 58% | 0.576 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.1 | -34.1 | -178.9 | -74.9 | 172 | 0 | 0 | 0 | 112.3 | D2 R7 R9 | D2-L5 HydrophobicContact CB-CD1 4.35Å; D2-L5 PolarHBondContact O-N 3.11Å; D2-L5 VanDerWaalsContact O-N 3.09Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R9 WeakPolarHBondContact O-CB 3.32Å; L5-R9 PolarHBondContact O-N 3.47Å; L5-R9 VanDerWaalsContact O-N 3.07Å |
| 6 | L | 79.9 | Confident | 80.1 | Confident | 93 Ų | 93 | 134.4 Ų | 134.4 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.7 | -42.4 | 172.7 | -83.9 | 128.2 | 0 | 0 | 0 | 111.4 | M1 R9 E10 | M1-L6 HydrophobicContact CB-CD1 4.26Å; L6-R9 PolarHBondContact O-N 3.26Å; L6-E10 WeakPolarHBondContact O-CG 3.21Å; L6-E10 PolarHBondContact O-N 2.84Å |
| 7 | R | 82.1 | Confident | 79.9 | Confident | 184 Ų | 184 | 134.5 Ų | 134.5 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.4 | -41.7 | 179.4 | -162.2 | 177.5 | -174.7 | 115.5 | -2.1 | 112.1 | P3 S4 L5 E10 L11 | P3-R7 PolarHBondContact O-N 2.95Å; S4-R7 PolarHBondContact O-N 3.02Å; L5-R7 VanDerWaalsContact C-N 3.35Å; R7-E10 PolarHBondContact O-N 2.88Å; R7-L11 HydrophobicContact CG-CD1 4.48Å; R7-L11 VanDerWaalsContact O-CG 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 3.26Å |
| 8 | E | 84.9 | Confident | 79.5 | Confident | 126 Ų | 126 | 132 Ų | 132 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.8 | -41.8 | 175 | -80.1 | -171.2 | 156.2 | 0 | 0 | 112.4 | S4 E10 L11 F12 | S4-E8 PolarHBondContact O-N 3.13Å; E8-E10 VanDerWaalsContact C-N 3.34Å; E8-E10 PolarHBondContact O-N 3.41Å; E8-L11 PolarHBondContact O-N 2.9Å; E8-F12 WeakPolarHBondContact O-CB 3.33Å; E8-F12 PolarHBondContact O-N 3.33Å |
| 9 | R | 84.4 | Confident | 79 | Confident | 194 Ų | 194 | 129.1 Ų | 129.1 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.6 | -42.3 | 176.7 | -179.8 | -178.6 | 161.7 | 158.2 | -2.5 | 111.9 | L5 L6 K13 | L5-R9 WeakPolarHBondContact O-CB 3.32Å; L5-R9 PolarHBondContact O-N 3.47Å; L5-R9 VanDerWaalsContact O-N 3.07Å; L6-R9 PolarHBondContact O-N 3.26Å; R9-K13 WeakPolarHBondContact O-CB 3.33Å; R9-K13 PolarHBondContact O-N 3.37Å |
| 10 | E | 86 | Confident | 77.8 | Confident | 125 Ų | 125 | 128.7 Ų | 128.7 | 58% | 0.584 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.3 | -40.7 | 177.4 | -74.2 | 179.6 | -177.5 | 0 | 0 | 112.2 | L6 R7 E8 K13 K14 | L6-E10 WeakPolarHBondContact O-CG 3.21Å; L6-E10 PolarHBondContact O-N 2.84Å; R7-E10 PolarHBondContact O-N 2.88Å; E8-E10 VanDerWaalsContact C-N 3.34Å; E8-E10 PolarHBondContact O-N 3.41Å; E10-K13 PolarHBondContact O-N 3.46Å; E10-K14 WeakPolarHBondContact O-CB 3.5Å; E10-K14 WeakPolarHBondContact O-CG 3.42Å; E10-K14 PolarHBondContact O-N 3.22Å |
| 11 | L | 85.5 | Confident | 76.7 | Confident | 109 Ų | 109 | 128.3 Ų | 128.3 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.5 | -41.7 | 176.2 | -73.3 | 172.4 | 0 | 0 | 0 | 112 | R7 E8 K14 R15 | R7-L11 HydrophobicContact CG-CD1 4.48Å; R7-L11 VanDerWaalsContact O-CG 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 3.26Å; E8-L11 PolarHBondContact O-N 2.9Å; L11-K14 PolarHBondContact O-N 3.05Å; L11-R15 WeakPolarHBondContact O-CB 3.36Å; L11-R15 PolarHBondContact O-N 3.37Å |
| 12 | F | 83.3 | Confident | 76.4 | Confident | 157 Ų | 157 | 124.3 Ų | 124.3 | 69% | 0.689 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.9 | -46 | 175.5 | -178.6 | -98.3 | 0 | 0 | 0 | 111.5 | E8 K14 R15 A16 | E8-F12 WeakPolarHBondContact O-CB 3.33Å; E8-F12 PolarHBondContact O-N 3.33Å; F12-K14 PolarHBondContact O-N 3.01Å; F12-R15 PolarHBondContact O-N 3.43Å; F12-A16 PolarHBondContact O-N 2.9Å |
| 13 | K | 85.3 | Confident | 75.7 | Confident | 138 Ų | 138 | 126.5 Ų | 126.5 | 60% | 0.6 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.1 | -41.9 | 178 | -169 | 177.1 | 179.2 | -176.5 | 0 | 111.9 | R9 E10 A16 L17 | R9-K13 WeakPolarHBondContact O-CB 3.33Å; R9-K13 PolarHBondContact O-N 3.37Å; E10-K13 PolarHBondContact O-N 3.46Å; K13-A16 PolarHBondContact O-N 3.46Å; K13-L17 HydrophobicContact CG-CD1 4.19Å; K13-L17 WeakPolarHBondContact O-CD1 3.34Å; K13-L17 PolarHBondContact O-N 2.65Å; K13-L17 VanDerWaalsContact O-N 3.13Å |
| 14 | K | 84.3 | Confident | 74.2 | Confident | 152 Ų | 152 | 131.3 Ų | 131.3 | 66% | 0.661 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.5 | -40.1 | 175.3 | -80.1 | -171 | 175.2 | -178.4 | 0 | 112.1 | E10 L11 F12 L17 S18 | E10-K14 WeakPolarHBondContact O-CB 3.5Å; E10-K14 WeakPolarHBondContact O-CG 3.42Å; E10-K14 PolarHBondContact O-N 3.22Å; L11-K14 PolarHBondContact O-N 3.05Å; F12-K14 PolarHBondContact O-N 3.01Å; K14-L17 PolarHBondContact O-N 3.12Å; K14-S18 WeakPolarHBondContact O-CB 3.41Å; K14-S18 PolarHBondContact O-N 3.41Å; K14-S18 VanDerWaalsContact O-N 3.11Å; K14-S18 PolarHBondContact O-OG 3.2Å |
| 15 | R | 80.4 | Confident | 72.2 | Confident | 188 Ų | 188 | 138.4 Ų | 138.4 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.5 | -44 | 178.3 | -167.6 | 172 | -177.8 | 128 | -0.8 | 111.8 | L11 F12 L17 S18 T19 | L11-R15 WeakPolarHBondContact O-CB 3.36Å; L11-R15 PolarHBondContact O-N 3.37Å; F12-R15 PolarHBondContact O-N 3.43Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.44Å; R15-S18 PolarHBondContact O-N 3.34Å; R15-S18 PolarHBondContact O-OG 2.88Å; R15-T19 PolarHBondContact O-N 3.22Å |
| 16 | A | 79.8 | Confident | 70.1 | Confident | 55 Ų | 55 | 138.4 Ų | 138.4 | 46% | 0.455 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -63.3 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F12 K13 T19 | F12-A16 PolarHBondContact O-N 2.9Å; K13-A16 PolarHBondContact O-N 3.46Å; A16-T19 PolarHBondContact O-OG1 3.5Å; A16-T19 VanDerWaalsContact O-OG1 3.07Å |
| 17 | L | 76.5 | Confident | 68.2 | Low | 137 Ų | 137 | 139.1 Ų | 139.1 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.2 | -30.2 | 174.9 | -80.3 | 157.7 | 0 | 0 | 0 | 113.1 | K13 K14 R15 | K13-L17 HydrophobicContact CG-CD1 4.19Å; K13-L17 WeakPolarHBondContact O-CD1 3.34Å; K13-L17 PolarHBondContact O-N 2.65Å; K13-L17 VanDerWaalsContact O-N 3.13Å; K14-L17 PolarHBondContact O-N 3.12Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.44Å |
| 18 | S | 72 | Confident | 65.9 | Low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -83 | -17.6 | -177.7 | 70.1 | 0 | 0 | 0 | 0 | 114.2 | K14 R15 P20 | K14-S18 WeakPolarHBondContact O-CB 3.41Å; K14-S18 PolarHBondContact O-N 3.41Å; K14-S18 VanDerWaalsContact O-N 3.11Å; K14-S18 PolarHBondContact O-OG 3.2Å; R15-S18 PolarHBondContact O-N 3.34Å; R15-S18 PolarHBondContact O-OG 2.88Å; S18-P20 WeakPolarHBondContact O-CD 3.22Å |
| 19 | T | 70.8 | Confident | 63.5 | Low | 77 Ų | 77 | 135.2 Ų | 135.2 | 47% | 0.472 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -84.1 | 117.7 | 176.5 | 48.6 | 0 | 0 | 0 | 0 | 109.6 | R15 A16 V21 | R15-T19 PolarHBondContact O-N 3.22Å; A16-T19 PolarHBondContact O-OG1 3.5Å; A16-T19 VanDerWaalsContact O-OG1 3.07Å; T19-V21 PolarHBondContact O-N 2.66Å; T19-V21 VanDerWaalsContact O-N 3.15Å |
| 20 | P | 55.6 | Low | 60.9 | Low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | -62.8 | 119.7 | 176.7 | 25.2 | -32.4 | 0 | 0 | 0 | 109.7 | S18 V22 | S18-P20 WeakPolarHBondContact O-CD 3.22Å; P20-V22 PolarHBondContact O-N 3.17Å | ||
| 21 | V | 54.5 | Low | 58.2 | Low | 121 Ų | 121 | 133.4 Ų | 133.4 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -67.1 | 115.8 | 173.6 | 166.6 | 0 | 0 | 0 | 0 | 108.2 | T19 E23 | T19-V21 PolarHBondContact O-N 2.66Å; T19-V21 VanDerWaalsContact O-N 3.15Å; V21-E23 HydrophobicContact CG1-CG 4.02Å; V21-E23 PolarHBondContact O-N 3.3Å | ||
| 22 | V | 51.7 | Low | 55.5 | Low | 136 Ų | 136 | 133.2 Ų | 133.2 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -79.2 | 94.5 | 169.6 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | P20 K24 | P20-V22 PolarHBondContact O-N 3.17Å; V22-K24 PolarHBondContact O-N 3.09Å | ||
| 23 | E | 54.7 | Low | 52.9 | Low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -70.5 | 117.7 | 168.4 | -71 | -171.3 | 154.8 | 0 | 0 | 109.8 | V21 R25 | V21-E23 HydrophobicContact CG1-CG 4.02Å; V21-E23 PolarHBondContact O-N 3.3Å; E23-R25 PolarHBondContact O-N 3.03Å; E23-R25 VanDerWaalsContact O-N 3.16Å | ||
| 24 | K | 47.6 | Very low | 50.2 | Low | 209 Ų | 209 | 130 Ų | 130 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -70.7 | 103.6 | 162.4 | -89.5 | -177.5 | 175 | 177.1 | 0 | 108.4 | V22 | V22-K24 PolarHBondContact O-N 3.09Š| ||
| 25 | R | 37.1 | Very low | 47.7 | Very low | 229 Ų | 229 | 127.7 Ų | 127.7 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 137.2 | 169.5 | -93.9 | -175.9 | -178.2 | 176.7 | 0.6 | 111.8 | E23 | E23-R25 PolarHBondContact O-N 3.03Å; E23-R25 VanDerWaalsContact O-N 3.16Å |
| 26 | S | 36.7 | Very low | 45.3 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 146.1 | 164.2 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 27 | A | 39.7 | Very low | 43.1 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 131.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 28 | S | 32.8 | Very low | 41.1 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -135.6 | 143.8 | 161.7 | 56.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 29 | S | 34.1 | Very low | 39.1 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 156.1 | -170.7 | 42.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 30 | E | 30.2 | Very low | 37.4 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 124.3 | 120.2 | 143.8 | -65.5 | -160 | 142.6 | 0 | 0 | 118.7 | ||||
| 31 | S | 29.9 | Very low | 36.2 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 43.9 | 130.2 | 143.9 | 62.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 32 | S | 29.2 | Very low | 35.2 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | 111.8 | 120.4 | 130 | 74.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 33 | S | 27.7 | Very low | 34.2 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | 48.7 | 118.7 | 142.6 | 61.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 34 | S | 29.6 | Very low | 32.9 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | 169.9 | 143.3 | 100 | 53.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 35 | S | 30.3 | Very low | 32.1 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -65.4 | 146.2 | 174.2 | 52 | 0 | 0 | 0 | 0 | 114 | ||||
| 36 | S | 31.9 | Very low | 31.5 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | 163.8 | 128.6 | 110.9 | 51.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 37 | K | 32.7 | Very low | 31 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | 39.7 | 127.8 | 138 | -84.3 | 170.9 | 177.9 | 164 | 0 | 123.6 | ||||
| 38 | K | 34 | Very low | 30.5 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | 72.5 | 133.3 | 141.5 | -65.7 | 179.3 | 178.3 | -179.5 | 0 | 115.5 | ||||
| 39 | K | 31.1 | Very low | 30.4 | Very low | 203 Ų | 203 | 140 Ų | 140 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | -171.3 | 149.8 | 60.9 | -172.8 | 174.5 | 179.7 | -179.3 | 0 | 111.3 | |||||
| 40 | K | 34.5 | Very low | 30.2 | Very low | 194 Ų | 194 | 138 Ų | 138 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -53.6 | 150.4 | 174.9 | -66.8 | 172.8 | 171.1 | 179.6 | 0 | 114.3 | ||||
| 41 | T | 30.3 | Very low | 30.2 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | -156.7 | 137.7 | 121.4 | 34.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 42 | K | 32.8 | Very low | 30.2 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | trans | -104.8 | 164.8 | 171.8 | 173.7 | 176.6 | 176.2 | -178.8 | 0 | 107.2 | ||||
| 43 | V | 31.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 74% | 0.739 | 82% | 0.819 | S | S | * | * | trans | 116.4 | 131.2 | 163.7 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 44 | E | 26.9 | Very low | 30.6 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | -160.2 | 176.6 | -9.6 | -112.1 | -174.9 | -172.4 | 0 | 0 | 110.8 | ||||
| 45 | H | 30.7 | Very low | 31.3 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 89% | 0.889 | 81% | 0.809 | S | S | * | * | trans | -34.9 | 145.6 | 179.4 | -100.3 | 54.3 | 0 | 0 | 0 | 119.7 | ||||
| 46 | G | 26.3 | Very low | 31.3 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -174.9 | 116.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 47 | G | 25.7 | Very low | 32.1 | Very low | 76 Ų | 76 | 147.8 Ų | 147.8 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -93.1 | -162.4 | -160.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 48 | S | 28.3 | Very low | 32.3 | Very low | 124 Ų | 124 | 144 Ų | 144 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | 85.6 | 110.5 | 164.6 | -66.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 49 | S | 31 | Very low | 32.7 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | 69 | 102.7 | 120.5 | 176.4 | 0 | 0 | 0 | 0 | 119 | |||||
| 50 | G | 30.1 | Very low | 33.2 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | 98.5 | 117.4 | 124.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 51 | S | 30.5 | Very low | 33.7 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 179.2 | 128.3 | 131.3 | 30.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 52 | K | 30.2 | Very low | 34.7 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | 63 | 104.7 | 130.8 | -69.4 | 170.6 | 172.5 | 170.9 | 0 | 118.6 | N54 | K52-N54 PolarHBondContact O-N 2.89Š| ||
| 53 | Q | 38.5 | Very low | 35.5 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -40.5 | 117.1 | 137.9 | -70.4 | 169.2 | -29 | 0 | 0 | 109.8 | ||||
| 54 | N | 26.7 | Very low | 36.6 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | trans | -111.8 | 101.5 | 160.3 | -150.2 | 39.9 | 0 | 0 | 0 | 107.1 | K52 D56 | K52-N54 PolarHBondContact O-N 2.89Å; N54-D56 VanDerWaalsContact C-N 3.32Å; N54-D56 PolarHBondContact ND2-OD2 3.5Å; N54-D56 PolarHBondContact O-N 3.4Å; N54-D56 VanDerWaalsContact O-N 3.13Å | ||
| 55 | S | 43.3 | Very low | 37.7 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -75 | 86.3 | 168.3 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 56 | D | 30.6 | Very low | 38.4 | Very low | 122 Ų | 122 | 126 Ų | 126 | 65% | 0.652 | 76% | 0.764 | S | S | * | * | trans | -89.6 | 105.3 | 166.6 | -90.4 | -46.2 | 0 | 0 | 0 | 109.8 | N54 S58 | N54-D56 VanDerWaalsContact C-N 3.32Å; N54-D56 PolarHBondContact ND2-OD2 3.5Å; N54-D56 PolarHBondContact O-N 3.4Å; N54-D56 VanDerWaalsContact O-N 3.13Å; D56-S58 PolarHBondContact O-N 3.15Å | ||
| 57 | H | 48.7 | Very low | 39.5 | Very low | 187 Ų | 187 | 126 Ų | 126 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | -53.6 | 96.1 | 163.1 | -74.2 | -80.9 | 0 | 0 | 0 | 109.9 | ||||
| 58 | S | 37.8 | Very low | 40.4 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -114.9 | 103.2 | 166.9 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | D56 G60 | D56-S58 PolarHBondContact O-N 3.15Å; S58-G60 PolarHBondContact O-N 3.35Å | ||
| 59 | N | 41.4 | Very low | 41.3 | Very low | 165 Ų | 165 | 124.5 Ų | 124.5 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -1.3 | 105.2 | 155.8 | -149.3 | 6 | 0 | 0 | 0 | 114.5 | S61 | N59-S61 VanDerWaalsContact C-N 3.32Å; N59-S61 PolarHBondContact O-N 3.28Å | ||
| 60 | G | 40.5 | Very low | 42.5 | Very low | 61 Ų | 61 | 122.4 Ų | 122.4 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | trans | -64.8 | 79.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S58 F62 | S58-G60 PolarHBondContact O-N 3.35Å; G60-F62 PolarHBondContact O-N 2.89Å | ||
| 61 | S | 45.8 | Very low | 44 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | -75.8 | 95.2 | 149.5 | -179 | 0 | 0 | 0 | 0 | 106.8 | N59 N63 | N59-S61 VanDerWaalsContact C-N 3.32Å; N59-S61 PolarHBondContact O-N 3.28Å; S61-N63 PolarHBondContact O-N 3.02Å | ||
| 62 | F | 52 | Low | 45.7 | Very low | 195 Ų | 195 | 116.8 Ų | 116.8 | 86% | 0.855 | 67% | 0.667 | S | S | * | * | trans | -53.6 | 107.5 | 174.6 | -75.2 | -88.7 | 0 | 0 | 0 | 109.2 | G60 L64 | G60-F62 PolarHBondContact O-N 2.89Å; F62-L64 VanDerWaalsContact C-N 3.27Å; F62-L64 PolarHBondContact O-N 2.91Å | ||
| 63 | N | 48.3 | Very low | 48 | Very low | 116 Ų | 116 | 113.6 Ų | 113.6 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | trans | -77.1 | 82 | -178.1 | -155.5 | -28.5 | 0 | 0 | 0 | 108.8 | S61 K65 A66 | S61-N63 PolarHBondContact O-N 3.02Å; N63-K65 PolarHBondContact O-N 2.69Å; N63-K65 VanDerWaalsContact O-N 3.09Å; N63-A66 PolarHBondContact O-N 3.48Å | ||
| 64 | L | 55.9 | Low | 49.8 | Very low | 117 Ų | 117 | 106.5 Ų | 106.5 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -57.1 | -23.5 | -178.6 | -171 | 68.8 | 0 | 0 | 0 | 112.5 | F62 A66 L67 | F62-L64 VanDerWaalsContact C-N 3.27Å; F62-L64 PolarHBondContact O-N 2.91Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 2.77Å; L64-L67 PolarHBondContact O-N 3.29Å |
| 65 | K | 49.5 | Very low | 52.4 | Low | 189 Ų | 189 | 105.2 Ų | 105.2 | 82% | 0.822 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -71 | -18 | 177.1 | -86.1 | -179.9 | 174.9 | 168.5 | 0 | 114.1 | N63 L67 | N63-K65 PolarHBondContact O-N 2.69Å; N63-K65 VanDerWaalsContact O-N 3.09Å; K65-L67 VanDerWaalsContact C-N 3.32Å |
| 66 | A | 45.8 | Very low | 54.2 | Low | 83 Ų | 83 | 102.1 Ų | 102.1 | 69% | 0.686 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -82.5 | -8.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N63 L64 | N63-A66 PolarHBondContact O-N 3.48Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 2.77Å |
| 67 | L | 49.7 | Very low | 56.5 | Low | 81 Ų | 81 | 96.5 Ų | 96.5 | 42% | 0.424 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -105.2 | 34 | -178.7 | -69 | 164.9 | 0 | 0 | 0 | 112.4 | L64 K65 G69 G72 | L64-L67 PolarHBondContact O-N 3.29Å; K65-L67 VanDerWaalsContact C-N 3.32Å; L67-G69 PolarHBondContact O-N 3.41Å; L67-G72 WeakPolarHBondContact O-CA 3.46Å; L67-G72 PolarHBondContact O-N 2.91Å |
| 68 | S | 44.3 | Very low | 58.1 | Low | 124 Ų | 124 | 88.7 Ų | 88.7 | 87% | 0.867 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 58.1 | 176.7 | -173.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 69 | G | 47.3 | Very low | 60.2 | Low | 44 Ų | 44 | 86.6 Ų | 86.6 | 45% | 0.454 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | 163.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | L67 S71 G72 | L67-G69 PolarHBondContact O-N 3.41Å; G69-S71 PolarHBondContact O-N 3.02Å; G69-G72 PolarHBondContact O-N 3.41Å |
| 70 | S | 55.8 | Low | 62.2 | Low | 75 Ų | 75 | 84.2 Ų | 84.2 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -40.1 | -24.6 | -173.1 | -172.4 | 0 | 0 | 0 | 0 | 117 | K74 | S70-K74 WeakPolarHBondContact O-CG 3.49Å |
| 71 | S | 60.6 | Low | 64.2 | Low | 49 Ų | 49 | 81.5 Ų | 81.5 | 34% | 0.343 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 174.3 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | G69 Y73 K74 F75 | G69-S71 PolarHBondContact O-N 3.02Å; S71-Y73 VanDerWaalsContact C-N 3.27Å; S71-Y73 PolarHBondContact O-N 3.18Å; S71-K74 WeakPolarHBondContact O-CB 3.44Å; S71-K74 PolarHBondContact O-N 2.76Å; S71-F75 WeakPolarHBondContact O-CD2 3.34Å; S71-F75 PolarHBondContact O-N 3.36Å |
| 72 | G | 67.7 | Low | 65.9 | Low | 13 Ų | 13 | 77.4 Ų | 77.4 | 13% | 0.134 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61 | -36.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L67 G69 G76 | L67-G72 WeakPolarHBondContact O-CA 3.46Å; L67-G72 PolarHBondContact O-N 2.91Å; G69-G72 PolarHBondContact O-N 3.41Å; G72-G76 PolarHBondContact O-N 2.94Å |
| 73 | Y | 78.6 | Confident | 67.4 | Low | 128 Ų | 128 | 72.9 Ų | 72.9 | 50% | 0.502 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 173 | -180 | -104.7 | 0 | 0 | 0 | 112.2 | S71 F75 G76 V77 I111 | S71-Y73 VanDerWaalsContact C-N 3.27Å; S71-Y73 PolarHBondContact O-N 3.18Å; Y73-F75 PolarHBondContact O-N 3.39Å; Y73-G76 PolarHBondContact O-N 2.74Å; Y73-V77 HydrophobicContact CD1-CG2 4.32Å; Y73-V77 HydrophobicContact CD2-CG2 4.41Å; Y73-V77 HydrophobicContact CE1-CG2 3.92Å; Y73-V77 HydrophobicContact CE2-CG2 4.02Å; Y73-V77 WeakPolarHBondContact O-CG2 3.44Å; Y73-V77 PolarHBondContact O-N 3.46Å; Y73-I111 HydrophobicContact CE1-CD1 4.45Å |
| 74 | K | 76 | Confident | 69 | Low | 48 Ų | 48 | 70.1 Ų | 70.1 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 177.8 | -59.9 | -177.1 | -164.5 | -172.5 | 0 | 112 | S70 S71 L78 Q115 W118 | S70-K74 WeakPolarHBondContact O-CG 3.49Å; S71-K74 WeakPolarHBondContact O-CB 3.44Å; S71-K74 PolarHBondContact O-N 2.76Å; K74-L78 WeakPolarHBondContact O-CB 3.48Å; K74-L78 PolarHBondContact O-N 3.29Å; K74-Q115 HydrophobicContact CD-CG 4.02Å; K74-Q115 HydrophobicContact CG-CB 4.41Å; K74-Q115 HydrophobicContact CG-CG 3.66Å; K74-W118 HydrophobicContact CB-CE3 3.89Å; K74-W118 HydrophobicContact CB-CH2 4.25Å; K74-W118 HydrophobicContact CB-CZ3 3.65Å; K74-W118 HydrophobicContact CD-CD2 4.32Å; K74-W118 HydrophobicContact CD-CE3 4.2Å; K74-W118 HydrophobicContact CG-CE3 4.5Å |
| 75 | F | 80.1 | Confident | 70 | Confident | 101 Ų | 101 | 64.8 Ų | 64.8 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70 | -35.5 | 175.3 | -71.3 | -68.9 | 0 | 0 | 0 | 112.6 | S71 Y73 L78 A79 W118 | S71-F75 WeakPolarHBondContact O-CD2 3.34Å; S71-F75 PolarHBondContact O-N 3.36Å; Y73-F75 PolarHBondContact O-N 3.39Å; F75-L78 PolarHBondContact O-N 2.65Å; F75-A79 WeakPolarHBondContact O-CB 3.47Å; F75-A79 PolarHBondContact O-N 3.38Å; F75-W118 AromaticContact CD1-CH2 3.9Å; F75-W118 HydrophobicContact CD1-CH2 3.9Å; F75-W118 AromaticContact CE1-CH2 3.7Å; F75-W118 HydrophobicContact CE1-CH2 3.7Å; F75-W118 AromaticContact CE1-CZ2 3.88Å; F75-W118 HydrophobicContact CE1-CZ2 3.88Å; F75-W118 HydrophobicContact CG-CH2 4.48Å; F75-W118 HydrophobicContact CZ-CH2 4.11Å; F75-W118 AromaticContact CZ-CZ2 3.95Å; F75-W118 HydrophobicContact CZ-CZ2 3.95Å |
| 76 | G | 81.3 | Confident | 71.4 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G72 Y73 A79 K80 | G72-G76 PolarHBondContact O-N 2.94Å; Y73-G76 PolarHBondContact O-N 2.74Å; G76-A79 PolarHBondContact O-N 2.99Å; G76-K80 PolarHBondContact O-N 2.92Å |
| 77 | V | 80.1 | Confident | 73.1 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.024 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 111 | Y73 A79 K80 I81 I111 L119 | Y73-V77 HydrophobicContact CD1-CG2 4.32Å; Y73-V77 HydrophobicContact CD2-CG2 4.41Å; Y73-V77 HydrophobicContact CE1-CG2 3.92Å; Y73-V77 HydrophobicContact CE2-CG2 4.02Å; Y73-V77 WeakPolarHBondContact O-CG2 3.44Å; Y73-V77 PolarHBondContact O-N 3.46Å; V77-A79 VanDerWaalsContact C-N 3.34Å; V77-A79 PolarHBondContact O-N 2.87Å; V77-K80 PolarHBondContact O-N 3.31Å; V77-K80 VanDerWaalsContact O-N 3.17Å; V77-I81 HydrophobicContact CG1-CD1 3.86Å; V77-I81 HydrophobicContact CG1-CG1 4.33Å; V77-I81 WeakPolarHBondContact O-CG1 3.23Å; V77-I81 PolarHBondContact O-N 3.46Å; V77-I111 HydrophobicContact CB-CD1 3.97Å; V77-I111 HydrophobicContact CG1-CD1 3.53Å; V77-I111 HydrophobicContact CG2-CD1 3.93Å; V77-L119 HydrophobicContact CG1-CD1 4.36Å |
| 78 | L | 81.7 | Confident | 74.3 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 173.9 | -179.3 | 66.4 | 0 | 0 | 0 | 111.8 | K74 F75 K80 I81 V82 W118 L119 A123 L124 | K74-L78 WeakPolarHBondContact O-CB 3.48Å; K74-L78 PolarHBondContact O-N 3.29Å; F75-L78 PolarHBondContact O-N 2.65Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 3.07Å; L78-I81 PolarHBondContact O-N 3.47Å; L78-V82 HydrophobicContact CD1-CG2 4.36Å; L78-V82 HydrophobicContact CG-CG2 4.45Å; L78-V82 VanDerWaalsContact O-CG2 3.27Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 3.01Å; L78-W118 HydrophobicContact CD2-CH2 4.4Å; L78-L119 HydrophobicContact CB-CD2 3.97Å; L78-L119 HydrophobicContact CD1-CD2 3.81Å; L78-L119 HydrophobicContact CG-CD2 4.46Å; L78-A123 HydrophobicContact CD1-CB 3.87Å; L78-A123 HydrophobicContact CD2-CB 3.97Å; L78-A123 HydrophobicContact CG-CB 4.48Å; L78-L124 HydrophobicContact CD1-CD2 4.27Å |
| 79 | A | 82.1 | Confident | 75.8 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 50% | 0.496 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | F75 G76 V77 V82 N83 | F75-A79 WeakPolarHBondContact O-CB 3.47Å; F75-A79 PolarHBondContact O-N 3.38Å; G76-A79 PolarHBondContact O-N 2.99Å; V77-A79 VanDerWaalsContact C-N 3.34Å; V77-A79 PolarHBondContact O-N 2.87Å; A79-V82 PolarHBondContact O-N 3.37Å; A79-N83 VanDerWaalsContact O-CB 3.29Å; A79-N83 WeakPolarHBondContact O-CB 3.46Å; A79-N83 PolarHBondContact O-N 3.07Å |
| 80 | K | 83.1 | Confident | 77 | Confident | 114 Ų | 114 | 49.8 Ų | 49.8 | 50% | 0.496 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 176.5 | -165.5 | 164 | 176.6 | -178 | 0 | 111.9 | G76 V77 L78 N83 Y84 H108 | G76-K80 PolarHBondContact O-N 2.92Å; V77-K80 PolarHBondContact O-N 3.31Å; V77-K80 VanDerWaalsContact O-N 3.17Å; L78-K80 VanDerWaalsContact C-N 3.28Å; L78-K80 PolarHBondContact O-N 3.07Å; K80-N83 PolarHBondContact O-N 3.21Å; K80-Y84 WeakPolarHBondContact O-CB 3.35Å; K80-Y84 PolarHBondContact O-N 3.09Å; K80-H108 VanDerWaalsContact CD-CE1 3.5Å; K80-H108 WeakPolarHBondContact CD-CE1 2.91Å; K80-H108 VanDerWaalsContact CE-CE1 3.47Å; K80-H108 WeakPolarHBondContact CE-CE1 3.38Å; K80-H108 PolarHBondContact NZ-CE1 3.26Å; K80-H108 VanDerWaalsContact NZ-CE1 3.29Å |
| 81 | I | 82.1 | Confident | 77.7 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 172.1 | -71.8 | 167.2 | 0 | 0 | 0 | 110.6 | V77 L78 N83 Y84 M85 I102 L103 L119 | V77-I81 HydrophobicContact CG1-CD1 3.86Å; V77-I81 HydrophobicContact CG1-CG1 4.33Å; V77-I81 WeakPolarHBondContact O-CG1 3.23Å; V77-I81 PolarHBondContact O-N 3.46Å; L78-I81 PolarHBondContact O-N 3.47Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 2.98Å; I81-Y84 WeakPolarHBondContact O-CB 3.26Å; I81-Y84 PolarHBondContact O-N 3.13Å; I81-M85 HydrophobicContact CG2-CG 4.44Å; I81-M85 HydrophobicContact CG2-SD 4.19Å; I81-M85 WeakPolarHBondContact O-CG 3.46Å; I81-M85 PolarHBondContact O-N 3.41Å; I81-I102 HydrophobicContact CB-CG2 4.29Å; I81-I102 HydrophobicContact CG1-CG2 3.99Å; I81-I102 HydrophobicContact CG2-CG2 3.78Å; I81-L103 HydrophobicContact CD1-CD2 4.1Å; I81-L119 HydrophobicContact CD1-CD1 3.89Å; I81-L119 HydrophobicContact CD1-CD2 4.34Å |
| 82 | V | 81.4 | Confident | 77.9 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 179.4 | 174.5 | 0 | 0 | 0 | 0 | 111 | L78 A79 Y84 M85 K86 N127 I130 F139 | L78-V82 HydrophobicContact CD1-CG2 4.36Å; L78-V82 HydrophobicContact CG-CG2 4.45Å; L78-V82 VanDerWaalsContact O-CG2 3.27Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 3.01Å; A79-V82 PolarHBondContact O-N 3.37Å; V82-Y84 VanDerWaalsContact C-N 3.34Å; V82-M85 PolarHBondContact O-N 3.05Å; V82-K86 VanDerWaalsContact O-CB 3.32Å; V82-K86 WeakPolarHBondContact O-CB 3.42Å; V82-K86 PolarHBondContact O-N 3.03Å; V82-N127 WeakPolarHBondContact CG2-ND2 3.32Å; V82-I130 HydrophobicContact CG2-CD1 4.18Å; V82-F139 HydrophobicContact CG1-CE2 4.25Å |
| 83 | N | 83.3 | Confident | 77.9 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 177.1 | -169.3 | 54.3 | 0 | 0 | 0 | 112.2 | A79 K80 I81 K86 T87 | A79-N83 VanDerWaalsContact O-CB 3.29Å; A79-N83 WeakPolarHBondContact O-CB 3.46Å; A79-N83 PolarHBondContact O-N 3.07Å; K80-N83 PolarHBondContact O-N 3.21Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 2.98Å; N83-K86 PolarHBondContact O-N 3.26Å; N83-T87 WeakPolarHBondContact O-CB 3.47Å; N83-T87 PolarHBondContact O-N 3.04Å; N83-T87 PolarHBondContact O-OG1 3.17Å |
| 84 | Y | 82.5 | Confident | 77.3 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -49.9 | 174 | -178.8 | -103.2 | 0 | 0 | 0 | 111.2 | K80 I81 V82 K86 T87 R88 I102 E105 T106 | K80-Y84 WeakPolarHBondContact O-CB 3.35Å; K80-Y84 PolarHBondContact O-N 3.09Å; I81-Y84 WeakPolarHBondContact O-CB 3.26Å; I81-Y84 PolarHBondContact O-N 3.13Å; V82-Y84 VanDerWaalsContact C-N 3.34Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.3Å; Y84-T87 PolarHBondContact O-N 2.96Å; Y84-T87 VanDerWaalsContact O-N 3.13Å; Y84-R88 WeakPolarHBondContact O-CB 3.49Å; Y84-R88 PolarHBondContact O-N 2.64Å; Y84-I102 HydrophobicContact CD1-CG2 4.32Å; Y84-E105 HydrophobicContact CE1-CB 4.03Å; Y84-E105 WeakPolarHBondContact CE1-OE2 3.24Å; Y84-E105 PolarHBondContact OH-OE2 2.95Å; Y84-T106 HydrophobicContact CD1-CG2 3.96Å; Y84-T106 HydrophobicContact CD2-CG2 4.21Å; Y84-T106 HydrophobicContact CG-CG2 3.69Å |
| 85 | M | 77.6 | Confident | 76.9 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 175.2 | -68.7 | -173.4 | 80 | 0 | 0 | 112.2 | I81 V82 R88 H89 I102 I130 Y137 A138 F139 | I81-M85 HydrophobicContact CG2-CG 4.44Å; I81-M85 HydrophobicContact CG2-SD 4.19Å; I81-M85 WeakPolarHBondContact O-CG 3.46Å; I81-M85 PolarHBondContact O-N 3.41Å; V82-M85 PolarHBondContact O-N 3.05Å; M85-R88 PolarHBondContact O-N 3.3Å; M85-H89 WeakPolarHBondContact O-CB 3.11Å; M85-H89 PolarHBondContact O-N 3.08Å; M85-I102 HydrophobicContact CE-CD1 4.36Å; M85-I102 HydrophobicContact CG-CD1 4.23Å; M85-I102 HydrophobicContact SD-CD1 3.99Å; M85-I130 HydrophobicContact SD-CD1 4.04Å; M85-I130 HydrophobicContact SD-CG1 4.45Å; M85-Y137 VanDerWaalsContact CE-O 3.26Å; M85-Y137 WeakPolarHBondContact CE-O 3.43Å; M85-A138 VanDerWaalsContact CE-C 3.4Å; M85-F139 HydrophobicContact CB-CB 4.17Å; M85-F139 HydrophobicContact CB-CD2 4.19Å; M85-F139 HydrophobicContact CE-CB 4.44Å |
| 86 | K | 78.6 | Confident | 76.7 | Confident | 61 Ų | 61 | 55 Ų | 55 | 27% | 0.265 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 173.4 | -178.8 | 179.6 | 178 | 178.2 | 0 | 111.8 | V82 N83 Y84 R88 H89 Q90 F139 | V82-K86 VanDerWaalsContact O-CB 3.32Å; V82-K86 WeakPolarHBondContact O-CB 3.42Å; V82-K86 PolarHBondContact O-N 3.03Å; N83-K86 PolarHBondContact O-N 3.26Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.3Å; K86-R88 VanDerWaalsContact C-N 3.26Å; K86-R88 PolarHBondContact O-N 3.1Å; K86-H89 PolarHBondContact O-N 2.81Å; K86-Q90 WeakPolarHBondContact O-CG 3.31Å; K86-Q90 PolarHBondContact O-N 3.17Å; K86-F139 HydrophobicContact CB-CE1 4.43Å; K86-F139 HydrophobicContact CB-CE2 4.08Å; K86-F139 HydrophobicContact CB-CZ 4.01Å; K86-F139 HydrophobicContact CG-CE1 4.38Å; K86-F139 HydrophobicContact CG-CZ 4.12Å |
| 87 | T | 80.8 | Confident | 76.5 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 26% | 0.258 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 179.2 | -56 | 0 | 0 | 0 | 0 | 111 | N83 Y84 Q90 R91 | N83-T87 WeakPolarHBondContact O-CB 3.47Å; N83-T87 PolarHBondContact O-N 3.04Å; N83-T87 PolarHBondContact O-OG1 3.17Å; Y84-T87 PolarHBondContact O-N 2.96Å; Y84-T87 VanDerWaalsContact O-N 3.13Å; T87-Q90 WeakPolarHBondContact O-CB 3.48Å; T87-Q90 PolarHBondContact O-N 3.12Å; T87-R91 WeakPolarHBondContact O-CG 3.05Å; T87-R91 PolarHBondContact O-N 3.37Å; T87-R91 VanDerWaalsContact O-N 3.09Å |
| 88 | R | 75.5 | Confident | 76.5 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68 | -43.8 | 176.1 | -163.8 | -178.2 | -149.8 | -122.1 | 11.1 | 112.6 | Y84 M85 K86 Q90 R91 G92 D93 H95 L97 E105 | Y84-R88 WeakPolarHBondContact O-CB 3.49Å; Y84-R88 PolarHBondContact O-N 2.64Å; M85-R88 PolarHBondContact O-N 3.3Å; K86-R88 VanDerWaalsContact C-N 3.26Å; K86-R88 PolarHBondContact O-N 3.1Å; R88-Q90 VanDerWaalsContact C-N 3.25Å; R88-Q90 PolarHBondContact O-N 2.88Å; R88-R91 WeakPolarHBondContact O-CA 3.17Å; R88-R91 WeakPolarHBondContact O-CB 3.35Å; R88-R91 PolarHBondContact O-N 2.95Å; R88-G92 PolarHBondContact O-N 2.89Å; R88-D93 HydrophobicContact CG-CB 3.85Å; R88-D93 PolarHBondContact O-N 3.39Å; R88-H95 PolarHBondContact NH1-CD2 3.13Å; R88-H95 PolarHBondContact NH1-CE1 3.44Å; R88-H95 VanDerWaalsContact NH1-CG 3.25Å; R88-H95 PolarHBondContact NH1-ND1 3.07Å; R88-H95 VanDerWaalsContact NH1-ND1 3.12Å; R88-H95 PolarHBondContact NH1-NE2 3.13Å; R88-H95 PolarHBondContact NH1-O 3.44Å; R88-H95 VanDerWaalsContact NH1-O 3.1Å; R88-H95 PolarHBondContact NH2-CE1 3.43Å; R88-H95 PolarHBondContact NH2-NE2 3.47Å; R88-L97 VanDerWaalsContact CZ-CD2 3.43Å; R88-L97 VanDerWaalsContact CZ-CG 3.47Å; R88-E105 IonicContact NE-OE2 2.81Å; R88-E105 IonicContact NH2-OE1 3.33Å; R88-E105 IonicContact NH2-OE2 3.98Å |
| 89 | H | 75.8 | Confident | 76.1 | Confident | 13 Ų | 13 | 55 Ų | 55 | 6% | 0.06 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.8 | -39 | 171.4 | -176.1 | 79.3 | 0 | 0 | 0 | 111.6 | M85 K86 R91 G92 T94 F139 A174 | M85-H89 WeakPolarHBondContact O-CB 3.11Å; M85-H89 PolarHBondContact O-N 3.08Å; K86-H89 PolarHBondContact O-N 2.81Å; H89-R91 PolarHBondContact O-N 3.13Å; H89-G92 PolarHBondContact O-N 2.91Å; H89-G92 VanDerWaalsContact O-N 3.12Å; H89-T94 WeakPolarHBondContact ND1-CG2 3.15Å; H89-F139 HydrophobicContact CB-CB 4.22Å; H89-F139 HydrophobicContact CB-CD1 3.77Å; H89-F139 HydrophobicContact CB-CG 4.31Å; H89-F139 AromaticContact CG-CD1 3.73Å; H89-A174 PolarHBondContact NE2-O 3.46Å |
| 90 | Q | 72.1 | Confident | 75.8 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.7 | -18.4 | 172.8 | -71.6 | 178.4 | -9.9 | 0 | 0 | 113.9 | K86 T87 R88 G92 E172 P176 | K86-Q90 WeakPolarHBondContact O-CG 3.31Å; K86-Q90 PolarHBondContact O-N 3.17Å; T87-Q90 WeakPolarHBondContact O-CB 3.48Å; T87-Q90 PolarHBondContact O-N 3.12Å; R88-Q90 VanDerWaalsContact C-N 3.25Å; R88-Q90 PolarHBondContact O-N 2.88Å; Q90-G92 VanDerWaalsContact C-N 3.27Å; Q90-E172 PolarHBondContact NE2-O 3.09Å; Q90-P176 HydrophobicContact CB-CB 4.33Å; Q90-P176 WeakPolarHBondContact O-CB 3.2Å; Q90-P176 WeakPolarHBondContact O-CG 3.43Å |
| 91 | R | 70.8 | Confident | 75.7 | Confident | 182 Ų | 182 | 54.6 Ų | 54.6 | 69% | 0.687 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -4.9 | 172.9 | -71.3 | 171.3 | -177.7 | -175 | 0.4 | 112.7 | T87 R88 H89 D93 | T87-R91 WeakPolarHBondContact O-CG 3.05Å; T87-R91 PolarHBondContact O-N 3.37Å; T87-R91 VanDerWaalsContact O-N 3.09Å; R88-R91 WeakPolarHBondContact O-CA 3.17Å; R88-R91 WeakPolarHBondContact O-CB 3.35Å; R88-R91 PolarHBondContact O-N 2.95Å; H89-R91 PolarHBondContact O-N 3.13Å; R91-D93 VanDerWaalsContact C-N 3.33Å |
| 92 | G | 65.3 | Low | 75.6 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 52% | 0.515 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -0.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R88 H89 Q90 T94 | R88-G92 PolarHBondContact O-N 2.89Å; H89-G92 PolarHBondContact O-N 2.91Å; H89-G92 VanDerWaalsContact O-N 3.12Å; Q90-G92 VanDerWaalsContact C-N 3.27Å; G92-T94 PolarHBondContact O-N 2.86Å |
| 93 | D | 67.2 | Low | 75.4 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | trans | -90.3 | 82.3 | -179.8 | -68 | -39.8 | 0 | 0 | 0 | 110.1 | R88 R91 H95 | R88-D93 HydrophobicContact CG-CB 3.85Å; R88-D93 PolarHBondContact O-N 3.39Å; R91-D93 VanDerWaalsContact C-N 3.33Å; D93-H95 PolarHBondContact O-N 2.94Å | ||
| 94 | T | 65.3 | Low | 75.2 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | trans | -86.4 | 18.6 | 178.2 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | H89 G92 | H89-T94 WeakPolarHBondContact ND1-CG2 3.15Å; G92-T94 PolarHBondContact O-N 2.86Å | ||
| 95 | H | 69.3 | Low | 74.9 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | trans | -74.4 | 136.5 | -175.9 | 71.2 | -95.8 | 0 | 0 | 0 | 110.9 | R88 D93 L97 | R88-H95 PolarHBondContact NH1-CD2 3.13Å; R88-H95 PolarHBondContact NH1-CE1 3.44Å; R88-H95 VanDerWaalsContact NH1-CG 3.25Å; R88-H95 PolarHBondContact NH1-ND1 3.07Å; R88-H95 VanDerWaalsContact NH1-ND1 3.12Å; R88-H95 PolarHBondContact NH1-NE2 3.13Å; R88-H95 PolarHBondContact NH1-O 3.44Å; R88-H95 VanDerWaalsContact NH1-O 3.1Å; R88-H95 PolarHBondContact NH2-CE1 3.43Å; R88-H95 PolarHBondContact NH2-NE2 3.47Å; D93-H95 PolarHBondContact O-N 2.94Å; H95-L97 PolarHBondContact O-N 3.13Å | ||
| 96 | P | 75.9 | Confident | 74.8 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 26% | 0.26 | 29% | 0.286 | S | S | . | . | trans | -66.1 | 130.8 | 179.4 | -18.6 | 32.1 | 0 | 0 | 0 | 110.3 | I133 K136 A138 | P96-I133 HydrophobicContact CG-CB 4.4Å; P96-I133 HydrophobicContact CG-CD1 4.23Å; P96-K136 HydrophobicContact CB-CB 3.35Å; P96-K136 HydrophobicContact CB-CD 3.88Å; P96-K136 HydrophobicContact CB-CG 4.26Å; P96-A138 HydrophobicContact CB-CB 4.37Å; P96-A138 HydrophobicContact CG-CB 4.37Å | ||
| 97 | L | 75.6 | Confident | 74.4 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -108.3 | 155.7 | 170.5 | -49.8 | 93.2 | 0 | 0 | 0 | 111.4 | R88 H95 E101 I102 E105 K136 Y137 | R88-L97 VanDerWaalsContact CZ-CD2 3.43Å; R88-L97 VanDerWaalsContact CZ-CG 3.47Å; H95-L97 PolarHBondContact O-N 3.13Å; L97-E101 WeakPolarHBondContact CA-OE2 2.95Å; L97-E101 HydrophobicContact CB-CB 4.19Å; L97-E101 HydrophobicContact CD2-CB 3.88Å; L97-I102 HydrophobicContact CB-CD1 4.09Å; L97-I102 HydrophobicContact CB-CG1 3.74Å; L97-I102 HydrophobicContact CD1-CD1 4.32Å; L97-I102 HydrophobicContact CD1-CG1 4.02Å; L97-I102 HydrophobicContact CD2-CG1 4Å; L97-I102 HydrophobicContact CG-CG1 4.18Å; L97-E105 WeakPolarHBondContact CD2-OE2 3.39Å; L97-K136 CarbonylContact O-C 3.6Å; L97-K136 WeakPolarHBondContact O-CA 3.46Å; L97-Y137 PolarHBondContact N-O 2.99Å; L97-Y137 VanDerWaalsContact N-O 3.14Å; L97-Y137 PolarHBondContact O-N 3.21Å |
| 98 | T | 79.9 | Confident | 73.7 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 27% | 0.27 | 31% | 0.308 | S | S | . | . | trans | -71.2 | 156.2 | 162.8 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | D100 E101 I102 K136 | T98-D100 PolarHBondContact O-N 3.42Å; T98-E101 PolarHBondContact N-OE2 3.4Å; T98-E101 PolarHBondContact O-N 3.3Å; T98-E101 VanDerWaalsContact OG1-CD 3.23Å; T98-E101 VanDerWaalsContact OG1-CG 3.26Å; T98-E101 WeakPolarHBondContact OG1-CG 3.34Å; T98-E101 PolarHBondContact OG1-N 3.19Å; T98-E101 PolarHBondContact OG1-OE2 3.4Å; T98-I102 WeakPolarHBondContact O-CG1 3.46Å; T98-I102 PolarHBondContact O-N 3.33Å; T98-I102 VanDerWaalsContact O-N 3.16Å; T98-K136 HydrophobicContact CG2-CG 4.18Å | ||
| 99 | L | 73.4 | Confident | 73.1 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -29.5 | 175.2 | 172.3 | 144 | 0 | 0 | 0 | 111.7 | I102 L103 K116 L119 M120 L124 Y137 | L99-I102 PolarHBondContact O-N 3.42Å; L99-L103 HydrophobicContact CD2-CD1 3.47Å; L99-L103 VanDerWaalsContact CD2-CD1 3.47Å; L99-L103 HydrophobicContact CD2-CG 4.21Å; L99-L103 HydrophobicContact CG-CD1 4.15Å; L99-L103 HydrophobicContact CG-CG 4.38Å; L99-L103 WeakPolarHBondContact O-CB 2.8Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.17Å; L99-K116 HydrophobicContact CD2-CD 4.28Å; L99-K116 HydrophobicContact CD2-CG 3.72Å; L99-L119 HydrophobicContact CD1-CB 3.7Å; L99-M120 HydrophobicContact CD1-CB 4.42Å; L99-L124 HydrophobicContact CB-CD1 4.47Å; L99-L124 HydrophobicContact CD1-CD1 3.51Å; L99-Y137 HydrophobicContact CB-CD2 4.06Å; L99-Y137 HydrophobicContact CB-CE2 3.77Å |
| 100 | D | 76.8 | Confident | 72.6 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.9 | -42 | 177.2 | -81.1 | -28.6 | 0 | 0 | 0 | 113.1 | T98 I102 L103 D104 K116 | T98-D100 PolarHBondContact O-N 3.42Å; D100-I102 VanDerWaalsContact C-N 3.3Å; D100-I102 PolarHBondContact O-N 3.47Å; D100-L103 PolarHBondContact O-N 3.24Å; D100-D104 WeakPolarHBondContact O-CB 3.4Å; D100-D104 PolarHBondContact O-N 3.44Å; D100-K116 WeakPolarHBondContact OD1-CE 2.92Å; D100-K116 IonicContact OD1-NZ 3.5Å; D100-K116 PolarHBondContact OD1-NZ 3.28Å; D100-K116 IonicContact OD2-NZ 2.57Å; D100-K116 PolarHBondContact OD2-NZ 2.87Å |
| 101 | E | 81.3 | Confident | 72.5 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 172.8 | -70.1 | 160.1 | 153.5 | 0 | 0 | 111.4 | L97 T98 D104 E105 | L97-E101 WeakPolarHBondContact CA-OE2 2.95Å; L97-E101 HydrophobicContact CB-CB 4.19Å; L97-E101 HydrophobicContact CD2-CB 3.88Å; T98-E101 PolarHBondContact N-OE2 3.4Å; T98-E101 PolarHBondContact O-N 3.3Å; T98-E101 VanDerWaalsContact OG1-CD 3.23Å; T98-E101 VanDerWaalsContact OG1-CG 3.26Å; T98-E101 WeakPolarHBondContact OG1-CG 3.34Å; T98-E101 PolarHBondContact OG1-N 3.19Å; T98-E101 PolarHBondContact OG1-OE2 3.4Å; E101-D104 PolarHBondContact O-N 3.11Å; E101-E105 WeakPolarHBondContact O-CB 3.48Å; E101-E105 VanDerWaalsContact O-CG 3.31Å; E101-E105 WeakPolarHBondContact O-CG 3.44Å; E101-E105 PolarHBondContact O-N 2.95Å |
| 102 | I | 78.4 | Confident | 72.7 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 176.3 | -62.6 | 167.2 | 0 | 0 | 0 | 111 | I81 Y84 M85 L97 T98 L99 D100 D104 T106 | I81-I102 HydrophobicContact CB-CG2 4.29Å; I81-I102 HydrophobicContact CG1-CG2 3.99Å; I81-I102 HydrophobicContact CG2-CG2 3.78Å; Y84-I102 HydrophobicContact CD1-CG2 4.32Å; M85-I102 HydrophobicContact CE-CD1 4.36Å; M85-I102 HydrophobicContact CG-CD1 4.23Å; M85-I102 HydrophobicContact SD-CD1 3.99Å; L97-I102 HydrophobicContact CB-CD1 4.09Å; L97-I102 HydrophobicContact CB-CG1 3.74Å; L97-I102 HydrophobicContact CD1-CD1 4.32Å; L97-I102 HydrophobicContact CD1-CG1 4.02Å; L97-I102 HydrophobicContact CD2-CG1 4Å; L97-I102 HydrophobicContact CG-CG1 4.18Å; T98-I102 WeakPolarHBondContact O-CG1 3.46Å; T98-I102 PolarHBondContact O-N 3.33Å; T98-I102 VanDerWaalsContact O-N 3.16Å; L99-I102 PolarHBondContact O-N 3.42Å; D100-I102 VanDerWaalsContact C-N 3.3Å; D100-I102 PolarHBondContact O-N 3.47Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-T106 HydrophobicContact CG2-CG2 4.18Å; I102-T106 VanDerWaalsContact O-CB 3.26Å; I102-T106 WeakPolarHBondContact O-CB 3.28Å; I102-T106 WeakPolarHBondContact O-CG2 3.37Å; I102-T106 PolarHBondContact O-N 3.48Å; I102-T106 PolarHBondContact O-OG1 3.22Å |
| 103 | L | 77.3 | Confident | 73.3 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.4 | -34.6 | 178.5 | -73.8 | 176.7 | 0 | 0 | 0 | 112.1 | I81 L99 D100 T106 Q107 H108 L109 I111 K116 | I81-L103 HydrophobicContact CD1-CD2 4.1Å; L99-L103 HydrophobicContact CD2-CD1 3.47Å; L99-L103 VanDerWaalsContact CD2-CD1 3.47Å; L99-L103 HydrophobicContact CD2-CG 4.21Å; L99-L103 HydrophobicContact CG-CD1 4.15Å; L99-L103 HydrophobicContact CG-CG 4.38Å; L99-L103 WeakPolarHBondContact O-CB 2.8Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.17Å; D100-L103 PolarHBondContact O-N 3.24Å; L103-T106 PolarHBondContact O-OG1 2.88Å; L103-Q107 PolarHBondContact O-N 3.37Å; L103-H108 HydrophobicContact CD2-CB 4.16Å; L103-H108 PolarHBondContact O-N 2.95Å; L103-L109 PolarHBondContact O-N 3.05Å; L103-I111 HydrophobicContact CD1-CG2 3.64Å; L103-I111 HydrophobicContact CD2-CG2 3.94Å; L103-I111 HydrophobicContact CG-CG2 4.41Å; L103-K116 HydrophobicContact CD1-CD 4.43Å; L103-K116 HydrophobicContact CD1-CG 4.3Å |
| 104 | D | 80 | Confident | 73.8 | Confident | 101 Ų | 101 | 70.7 Ų | 70.7 | 54% | 0.54 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.4 | -51.9 | 174.6 | -165.4 | 39.1 | 0 | 0 | 0 | 111 | D100 E101 I102 T106 Q107 | D100-D104 WeakPolarHBondContact O-CB 3.4Å; D100-D104 PolarHBondContact O-N 3.44Å; E101-D104 PolarHBondContact O-N 3.11Å; I102-D104 VanDerWaalsContact C-N 3.32Å; D104-T106 VanDerWaalsContact C-N 3.28Å; D104-T106 PolarHBondContact O-N 2.99Å; D104-Q107 PolarHBondContact O-N 3.46Å |
| 105 | E | 76.4 | Confident | 74.4 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.7 | -31.6 | 178.2 | -72.2 | 179.8 | 168.9 | 0 | 0 | 112.8 | Y84 R88 L97 E101 Q107 | Y84-E105 HydrophobicContact CE1-CB 4.03Å; Y84-E105 WeakPolarHBondContact CE1-OE2 3.24Å; Y84-E105 PolarHBondContact OH-OE2 2.95Å; R88-E105 IonicContact NE-OE2 2.81Å; R88-E105 IonicContact NH2-OE1 3.33Å; R88-E105 IonicContact NH2-OE2 3.98Å; L97-E105 WeakPolarHBondContact CD2-OE2 3.39Å; E101-E105 WeakPolarHBondContact O-CB 3.48Å; E101-E105 VanDerWaalsContact O-CG 3.31Å; E101-E105 WeakPolarHBondContact O-CG 3.44Å; E101-E105 PolarHBondContact O-N 2.95Å; E105-Q107 VanDerWaalsContact C-N 3.31Å |
| 106 | T | 74.5 | Confident | 74.8 | Confident | 14 Ų | 14 | 67.2 Ų | 67.2 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -0.8 | 175.8 | 60.6 | 0 | 0 | 0 | 0 | 113.7 | Y84 I102 L103 D104 H108 | Y84-T106 HydrophobicContact CD1-CG2 3.96Å; Y84-T106 HydrophobicContact CD2-CG2 4.21Å; Y84-T106 HydrophobicContact CG-CG2 3.69Å; I102-T106 HydrophobicContact CG2-CG2 4.18Å; I102-T106 VanDerWaalsContact O-CB 3.26Å; I102-T106 WeakPolarHBondContact O-CB 3.28Å; I102-T106 WeakPolarHBondContact O-CG2 3.37Å; I102-T106 PolarHBondContact O-N 3.48Å; I102-T106 PolarHBondContact O-OG1 3.22Å; L103-T106 PolarHBondContact O-OG1 2.88Å; D104-T106 VanDerWaalsContact C-N 3.28Å; D104-T106 PolarHBondContact O-N 2.99Å; T106-H108 VanDerWaalsContact C-N 3.3Å; T106-H108 PolarHBondContact O-CE1 2.97Å; T106-H108 PolarHBondContact O-N 3.41Å; T106-H108 PolarHBondContact O-ND1 3.34Å |
| 107 | Q | 69.9 | Low | 75 | Confident | 180 Ų | 180 | 70.6 Ų | 70.6 | 84% | 0.841 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 37.1 | -176.2 | -54.7 | -177.8 | -56.3 | 0 | 0 | 113.8 | L103 D104 E105 | L103-Q107 PolarHBondContact O-N 3.37Å; D104-Q107 PolarHBondContact O-N 3.46Å; E105-Q107 VanDerWaalsContact C-N 3.31Å |
| 108 | H | 66.1 | Low | 75.4 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | trans | -113.9 | 32.8 | 171.9 | -61.5 | 71.9 | 0 | 0 | 0 | 111.6 | K80 L103 T106 D110 I111 | K80-H108 VanDerWaalsContact CD-CE1 3.5Å; K80-H108 WeakPolarHBondContact CD-CE1 2.91Å; K80-H108 VanDerWaalsContact CE-CE1 3.47Å; K80-H108 WeakPolarHBondContact CE-CE1 3.38Å; K80-H108 PolarHBondContact NZ-CE1 3.26Å; K80-H108 VanDerWaalsContact NZ-CE1 3.29Å; L103-H108 HydrophobicContact CD2-CB 4.16Å; L103-H108 PolarHBondContact O-N 2.95Å; T106-H108 VanDerWaalsContact C-N 3.3Å; T106-H108 PolarHBondContact O-CE1 2.97Å; T106-H108 PolarHBondContact O-N 3.41Å; T106-H108 PolarHBondContact O-ND1 3.34Å; H108-D110 PolarHBondContact O-N 2.74Å; H108-D110 VanDerWaalsContact O-N 3.13Å; H108-I111 VanDerWaalsContact O-CB 3.31Å; H108-I111 WeakPolarHBondContact O-CB 3.38Å; H108-I111 WeakPolarHBondContact O-CG2 3.46Å; H108-I111 PolarHBondContact O-N 2.8Å | ||
| 109 | L | 64.4 | Low | 75.4 | Confident | 107 Ų | 107 | 70.1 Ų | 70.1 | 56% | 0.56 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.8 | 177 | -164.4 | 64.5 | 0 | 0 | 0 | 111.9 | L103 I111 | L103-L109 PolarHBondContact O-N 3.05Å; L109-I111 PolarHBondContact O-N 2.91Å; L109-I111 VanDerWaalsContact O-N 3.14Å |
| 110 | D | 63.9 | Low | 75.5 | Confident | 162 Ų | 162 | 74.3 Ų | 74.3 | 87% | 0.866 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 18.6 | 174.6 | -64.4 | -37.6 | 0 | 0 | 0 | 114.5 | H108 G112 | H108-D110 PolarHBondContact O-N 2.74Å; H108-D110 VanDerWaalsContact O-N 3.13Å; D110-G112 PolarHBondContact O-N 2.92Å |
| 111 | I | 71.1 | Confident | 75.6 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | trans | -69.7 | 124 | 173 | -166.5 | 143.4 | 0 | 0 | 0 | 109.8 | Y73 V77 L103 H108 L109 L113 Q115 K116 L119 | Y73-I111 HydrophobicContact CE1-CD1 4.45Å; V77-I111 HydrophobicContact CB-CD1 3.97Å; V77-I111 HydrophobicContact CG1-CD1 3.53Å; V77-I111 HydrophobicContact CG2-CD1 3.93Å; L103-I111 HydrophobicContact CD1-CG2 3.64Å; L103-I111 HydrophobicContact CD2-CG2 3.94Å; L103-I111 HydrophobicContact CG-CG2 4.41Å; H108-I111 VanDerWaalsContact O-CB 3.31Å; H108-I111 WeakPolarHBondContact O-CB 3.38Å; H108-I111 WeakPolarHBondContact O-CG2 3.46Å; H108-I111 PolarHBondContact O-N 2.8Å; L109-I111 PolarHBondContact O-N 2.91Å; L109-I111 VanDerWaalsContact O-N 3.14Å; I111-L113 PolarHBondContact O-N 2.93Å; I111-Q115 HydrophobicContact CD1-CB 3.9Å; I111-Q115 HydrophobicContact CG1-CB 3.41Å; I111-Q115 VanDerWaalsContact CG1-CB 3.41Å; I111-Q115 HydrophobicContact CG1-CG 4.3Å; I111-K116 HydrophobicContact CG2-CB 4.26Å; I111-L119 HydrophobicContact CD1-CD1 3.97Å | ||
| 112 | G | 75.1 | Confident | 75.5 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | trans | -53.2 | 143.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D110 K114 Q115 K116 | D110-G112 PolarHBondContact O-N 2.92Å; G112-K114 PolarHBondContact O-N 3.02Å; G112-Q115 VanDerWaalsContact C-OE1 3.24Å; G112-Q115 VanDerWaalsContact CA-OE1 3.25Å; G112-Q115 WeakPolarHBondContact O-CA 3.45Å; G112-Q115 WeakPolarHBondContact O-CB 3.32Å; G112-Q115 PolarHBondContact O-N 3.4Å; G112-Q115 PolarHBondContact O-OE1 2.93Å; G112-K116 PolarHBondContact O-N 2.79Å | ||
| 113 | L | 77.6 | Confident | 75.5 | Confident | 149 Ų | 149 | 75.5 Ų | 75.5 | 78% | 0.78 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -50.1 | -36.3 | -176.2 | -111.5 | 73.2 | 0 | 0 | 0 | 113.4 | I111 Q115 K116 Q117 | I111-L113 PolarHBondContact O-N 2.93Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 2.88Å; L113-K116 PolarHBondContact O-N 2.93Å; L113-Q117 WeakPolarHBondContact O-CB 3.31Å; L113-Q117 PolarHBondContact O-N 3.13Å |
| 114 | K | 77.6 | Confident | 75.3 | Confident | 173 Ų | 173 | 75.5 Ų | 75.5 | 75% | 0.752 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.1 | -33.6 | 178.4 | -64.8 | -179.2 | -179 | 176.2 | 0 | 112.4 | G112 W118 | G112-K114 PolarHBondContact O-N 3.02Å; K114-W118 WeakPolarHBondContact O-CB 3.23Å; K114-W118 PolarHBondContact O-N 3.15Å |
| 115 | Q | 77.3 | Confident | 75.1 | Confident | 34 Ų | 34 | 75.6 Ų | 75.6 | 16% | 0.159 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -76.6 | -41.9 | 176.9 | -68.3 | 79.6 | -0.5 | 0 | 0 | 110.6 | K74 I111 G112 L113 W118 L119 | K74-Q115 HydrophobicContact CD-CG 4.02Å; K74-Q115 HydrophobicContact CG-CB 4.41Å; K74-Q115 HydrophobicContact CG-CG 3.66Å; I111-Q115 HydrophobicContact CD1-CB 3.9Å; I111-Q115 HydrophobicContact CG1-CB 3.41Å; I111-Q115 VanDerWaalsContact CG1-CB 3.41Å; I111-Q115 HydrophobicContact CG1-CG 4.3Å; G112-Q115 VanDerWaalsContact C-OE1 3.24Å; G112-Q115 VanDerWaalsContact CA-OE1 3.25Å; G112-Q115 WeakPolarHBondContact O-CA 3.45Å; G112-Q115 WeakPolarHBondContact O-CB 3.32Å; G112-Q115 PolarHBondContact O-N 3.4Å; G112-Q115 PolarHBondContact O-OE1 2.93Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 2.88Å; Q115-W118 PolarHBondContact O-N 3.35Å; Q115-L119 WeakPolarHBondContact O-CG 3.35Å; Q115-L119 PolarHBondContact O-N 3.16Å |
| 116 | K | 78.2 | Confident | 75.1 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 27% | 0.27 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.3 | -48.4 | 172.1 | -175.1 | 175.6 | 171.8 | 174.1 | 0 | 111.6 | L99 D100 L103 I111 G112 L113 W118 L119 M120 | L99-K116 HydrophobicContact CD2-CD 4.28Å; L99-K116 HydrophobicContact CD2-CG 3.72Å; D100-K116 WeakPolarHBondContact OD1-CE 2.92Å; D100-K116 IonicContact OD1-NZ 3.5Å; D100-K116 PolarHBondContact OD1-NZ 3.28Å; D100-K116 IonicContact OD2-NZ 2.57Å; D100-K116 PolarHBondContact OD2-NZ 2.87Å; L103-K116 HydrophobicContact CD1-CD 4.43Å; L103-K116 HydrophobicContact CD1-CG 4.3Å; I111-K116 HydrophobicContact CG2-CB 4.26Å; G112-K116 PolarHBondContact O-N 2.79Å; L113-K116 PolarHBondContact O-N 2.93Å; K116-W118 PolarHBondContact O-N 3.41Å; K116-L119 PolarHBondContact O-N 3.18Å; K116-M120 PolarHBondContact O-N 3.12Å |
| 117 | Q | 80.9 | Confident | 75.1 | Confident | 112 Ų | 112 | 78.3 Ų | 78.3 | 52% | 0.523 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 178 | -171.3 | 66.7 | 20.7 | 0 | 0 | 111.6 | L113 L119 M120 T121 | L113-Q117 WeakPolarHBondContact O-CB 3.31Å; L113-Q117 PolarHBondContact O-N 3.13Å; Q117-L119 VanDerWaalsContact C-N 3.32Å; Q117-L119 PolarHBondContact O-N 2.8Å; Q117-M120 PolarHBondContact O-N 3.07Å; Q117-T121 HydrophobicContact CG-CG2 4.48Å; Q117-T121 VanDerWaalsContact NE2-CG2 3.32Å; Q117-T121 PolarHBondContact O-N 3.22Å; Q117-T121 PolarHBondContact O-OG1 3.41Å |
| 118 | W | 84.1 | Confident | 75.2 | Confident | 36 Ų | 36 | 75 Ų | 75 | 14% | 0.136 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 178 | 177.3 | 76.7 | 0 | 0 | 0 | 112.5 | K74 F75 L78 K114 Q115 K116 E122 A123 | K74-W118 HydrophobicContact CB-CE3 3.89Å; K74-W118 HydrophobicContact CB-CH2 4.25Å; K74-W118 HydrophobicContact CB-CZ3 3.65Å; K74-W118 HydrophobicContact CD-CD2 4.32Å; K74-W118 HydrophobicContact CD-CE3 4.2Å; K74-W118 HydrophobicContact CG-CE3 4.5Å; F75-W118 AromaticContact CD1-CH2 3.9Å; F75-W118 HydrophobicContact CD1-CH2 3.9Å; F75-W118 AromaticContact CE1-CH2 3.7Å; F75-W118 HydrophobicContact CE1-CH2 3.7Å; F75-W118 AromaticContact CE1-CZ2 3.88Å; F75-W118 HydrophobicContact CE1-CZ2 3.88Å; F75-W118 HydrophobicContact CG-CH2 4.48Å; F75-W118 HydrophobicContact CZ-CH2 4.11Å; F75-W118 AromaticContact CZ-CZ2 3.95Å; F75-W118 HydrophobicContact CZ-CZ2 3.95Å; L78-W118 HydrophobicContact CD2-CH2 4.4Å; K114-W118 WeakPolarHBondContact O-CB 3.23Å; K114-W118 PolarHBondContact O-N 3.15Å; Q115-W118 PolarHBondContact O-N 3.35Å; K116-W118 PolarHBondContact O-N 3.41Å; W118-E122 PolarHBondContact NE1-OE1 3.23Å; W118-E122 VanDerWaalsContact NE1-OE1 3.09Å; W118-E122 PolarHBondContact NE1-OE2 2.93Å; W118-E122 WeakPolarHBondContact O-CB 3.43Å; W118-E122 PolarHBondContact O-N 3.12Å; W118-A123 HydrophobicContact CD2-CB 4.39Å; W118-A123 HydrophobicContact CE3-CB 4.02Å; W118-A123 HydrophobicContact CH2-CB 3.84Å; W118-A123 HydrophobicContact CZ2-CB 4.2Å; W118-A123 HydrophobicContact CZ3-CB 3.74Å; W118-A123 PolarHBondContact O-N 3.29Å |
| 119 | L | 78.8 | Confident | 75.4 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.01 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -62.1 | -46 | 175 | -72.4 | 167.7 | 0 | 0 | 0 | 111.4 | V77 L78 I81 L99 I111 Q115 K116 Q117 A123 L124 | V77-L119 HydrophobicContact CG1-CD1 4.36Å; L78-L119 HydrophobicContact CB-CD2 3.97Å; L78-L119 HydrophobicContact CD1-CD2 3.81Å; L78-L119 HydrophobicContact CG-CD2 4.46Å; I81-L119 HydrophobicContact CD1-CD1 3.89Å; I81-L119 HydrophobicContact CD1-CD2 4.34Å; L99-L119 HydrophobicContact CD1-CB 3.7Å; I111-L119 HydrophobicContact CD1-CD1 3.97Å; Q115-L119 WeakPolarHBondContact O-CG 3.35Å; Q115-L119 PolarHBondContact O-N 3.16Å; K116-L119 PolarHBondContact O-N 3.18Å; Q117-L119 VanDerWaalsContact C-N 3.32Å; Q117-L119 PolarHBondContact O-N 2.8Å; L119-A123 HydrophobicContact CD2-CB 3.89Å; L119-L124 WeakPolarHBondContact O-CB 3.44Å; L119-L124 WeakPolarHBondContact O-CG 3.34Å; L119-L124 PolarHBondContact O-N 3.22Å |
| 120 | M | 76.7 | Confident | 75.9 | Confident | 99 Ų | 99 | 71.8 Ų | 71.8 | 49% | 0.488 | 38% | 0.378 | S | S | . | . | I | π-helix | trans | -67.1 | -45.4 | -177.7 | -169.9 | 179.1 | -171 | 0 | 0 | 113.2 | L99 K116 Q117 Y137 | L99-M120 HydrophobicContact CD1-CB 4.42Å; K116-M120 PolarHBondContact O-N 3.12Å; Q117-M120 PolarHBondContact O-N 3.07Å; M120-Y137 PolarHBondContact O-OH 2.98Å |
| 121 | T | 77.6 | Confident | 76.4 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 49% | 0.485 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -90.4 | -31 | -172 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | Q117 V125 | Q117-T121 HydrophobicContact CG-CG2 4.48Å; Q117-T121 VanDerWaalsContact NE2-CG2 3.32Å; Q117-T121 PolarHBondContact O-N 3.22Å; Q117-T121 PolarHBondContact O-OG1 3.41Å; T121-V125 WeakPolarHBondContact O-CG2 3.37Å |
| 122 | E | 80.5 | Confident | 76.7 | Confident | 104 Ų | 104 | 71.8 Ų | 71.8 | 49% | 0.486 | 38% | 0.378 | S | S | . | . | I | π-helix | trans | -119.9 | -54.7 | -168.7 | -164.6 | -177.4 | 135.8 | 0 | 0 | 111.3 | W118 L124 N126 | W118-E122 PolarHBondContact NE1-OE1 3.23Å; W118-E122 VanDerWaalsContact NE1-OE1 3.09Å; W118-E122 PolarHBondContact NE1-OE2 2.93Å; W118-E122 WeakPolarHBondContact O-CB 3.43Å; W118-E122 PolarHBondContact O-N 3.12Å; E122-L124 PolarHBondContact O-N 3.21Å; E122-N126 WeakPolarHBondContact O-CB 3.3Å; E122-N126 PolarHBondContact O-N 2.98Å |
| 123 | A | 76.8 | Confident | 76.5 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 7% | 0.066 | 38% | 0.379 | C | S | . | . | I | π-helix | trans | -69.5 | -41.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L78 W118 L119 N127 | L78-A123 HydrophobicContact CD1-CB 3.87Å; L78-A123 HydrophobicContact CD2-CB 3.97Å; L78-A123 HydrophobicContact CG-CB 4.48Å; W118-A123 HydrophobicContact CD2-CB 4.39Å; W118-A123 HydrophobicContact CE3-CB 4.02Å; W118-A123 HydrophobicContact CH2-CB 3.84Å; W118-A123 HydrophobicContact CZ2-CB 4.2Å; W118-A123 HydrophobicContact CZ3-CB 3.74Å; W118-A123 PolarHBondContact O-N 3.29Å; L119-A123 HydrophobicContact CD2-CB 3.89Å; A123-N127 WeakPolarHBondContact O-CB 3.43Å; A123-N127 PolarHBondContact O-N 3.09Å |
| 124 | L | 73.4 | Confident | 75.9 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -30.2 | -179.2 | -64.7 | 177.3 | 0 | 0 | 0 | 112.4 | L78 L99 L119 E122 I130 Y137 | L78-L124 HydrophobicContact CD1-CD2 4.27Å; L99-L124 HydrophobicContact CB-CD1 4.47Å; L99-L124 HydrophobicContact CD1-CD1 3.51Å; L119-L124 WeakPolarHBondContact O-CB 3.44Å; L119-L124 WeakPolarHBondContact O-CG 3.34Å; L119-L124 PolarHBondContact O-N 3.22Å; E122-L124 PolarHBondContact O-N 3.21Å; L124-I130 HydrophobicContact CD2-CD1 3.25Å; L124-Y137 HydrophobicContact CB-CD1 3.79Å; L124-Y137 HydrophobicContact CB-CE1 3.42Å; L124-Y137 VanDerWaalsContact CB-CE1 3.42Å; L124-Y137 HydrophobicContact CD1-CD1 3.66Å; L124-Y137 HydrophobicContact CD1-CD2 3.62Å; L124-Y137 HydrophobicContact CD1-CE1 3.46Å; L124-Y137 VanDerWaalsContact CD1-CE1 3.46Å; L124-Y137 HydrophobicContact CD1-CE2 3.43Å; L124-Y137 VanDerWaalsContact CD1-CE2 3.43Å; L124-Y137 HydrophobicContact CD1-CG 3.72Å; L124-Y137 HydrophobicContact CG-CD1 4.22Å; L124-Y137 HydrophobicContact CG-CE1 4.05Å |
| 125 | V | 75.2 | Confident | 75.4 | Confident | 102 Ų | 102 | 68.4 Ų | 68.4 | 62% | 0.618 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -36.3 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | T121 N127 | T121-V125 WeakPolarHBondContact O-CG2 3.37Å; V125-N127 VanDerWaalsContact C-N 3.33Å |
| 126 | N | 76.8 | Confident | 75.3 | Confident | 130 Ų | 130 | 70.7 Ų | 70.7 | 70% | 0.695 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -84.4 | -5 | -178.8 | -162.4 | 21.2 | 0 | 0 | 0 | 113.4 | E122 P128 | E122-N126 WeakPolarHBondContact O-CB 3.3Å; E122-N126 PolarHBondContact O-N 2.98Å; N126-P128 WeakPolarHBondContact O-CD 3.45Å |
| 127 | N | 75.3 | Confident | 75.2 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.15 | 37% | 0.372 | C | S | . | . | trans | -92.3 | 113.5 | -176.4 | -168.9 | -15.8 | 0 | 0 | 0 | 111.6 | V82 A123 V125 K129 I130 | V82-N127 WeakPolarHBondContact CG2-ND2 3.32Å; A123-N127 WeakPolarHBondContact O-CB 3.43Å; A123-N127 PolarHBondContact O-N 3.09Å; V125-N127 VanDerWaalsContact C-N 3.33Å; N127-K129 PolarHBondContact O-N 2.92Å; N127-K129 WeakPolarHBondContact OD1-CB 3.39Å; N127-K129 PolarHBondContact OD1-N 3.36Å; N127-I130 HydrophobicContact CB-CB 4.48Å; N127-I130 HydrophobicContact CB-CD1 4.34Å; N127-I130 HydrophobicContact CB-CG1 4.34Å; N127-I130 PolarHBondContact O-N 3.35Å; N127-I130 VanDerWaalsContact O-N 3.12Å | ||
| 128 | P | 71.9 | Confident | 74.9 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 72% | 0.721 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.9 | 179.6 | 29.2 | -36.5 | 0 | 0 | 0 | 113.6 | N126 | N126-P128 WeakPolarHBondContact O-CD 3.45Š|
| 129 | K | 69.8 | Low | 74.4 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 24% | 0.239 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.2 | 177 | -58.9 | -161.2 | 176.2 | -153.4 | 0 | 113.9 | N127 F139 K140 E173 | N127-K129 PolarHBondContact O-N 2.92Å; N127-K129 WeakPolarHBondContact OD1-CB 3.39Å; N127-K129 PolarHBondContact OD1-N 3.36Å; K129-F139 HydrophobicContact CB-CE2 4.19Å; K129-F139 HydrophobicContact CD-CE2 4.47Å; K129-K140 CarbonylContact C-O 3.53Å; K129-K140 WeakPolarHBondContact CA-O 3.44Å; K129-K140 PolarHBondContact O-N 2.93Å; K129-E173 IonicContact NZ-OE1 3.84Å; K129-E173 PolarHBondContact NZ-OE1 2.75Å; K129-E173 IonicContact NZ-OE2 2.74Å; K129-E173 PolarHBondContact NZ-OE2 3.13Å |
| 130 | I | 75.8 | Confident | 74.2 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.6 | -179.7 | -61.3 | -177.6 | 0 | 0 | 0 | 109 | V82 M85 L124 N127 Y137 A138 | V82-I130 HydrophobicContact CG2-CD1 4.18Å; M85-I130 HydrophobicContact SD-CD1 4.04Å; M85-I130 HydrophobicContact SD-CG1 4.45Å; L124-I130 HydrophobicContact CD2-CD1 3.25Å; N127-I130 HydrophobicContact CB-CB 4.48Å; N127-I130 HydrophobicContact CB-CD1 4.34Å; N127-I130 HydrophobicContact CB-CG1 4.34Å; N127-I130 PolarHBondContact O-N 3.35Å; N127-I130 VanDerWaalsContact O-N 3.12Å; I130-Y137 HydrophobicContact CG2-CD1 3.89Å; I130-Y137 HydrophobicContact CG2-CG 4.37Å; I130-A138 CarbonylContact C-O 3.48Å; I130-A138 WeakPolarHBondContact CA-O 3.35Å |
| 131 | E | 74.4 | Confident | 73.9 | Confident | 95 Ų | 95 | 63.3 Ų | 63.3 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.2 | 173.3 | -170.7 | 169.3 | -157.4 | 0 | 0 | 108.7 | I133 A138 K140 | E131-I133 HydrophobicContact CG-CD1 4.29Å; E131-I133 HydrophobicContact CG-CG1 3.87Å; E131-A138 PolarHBondContact N-O 3.2Å; E131-A138 PolarHBondContact O-N 3.36Å; E131-K140 HydrophobicContact CB-CB 4.26Å |
| 132 | V | 76.2 | Confident | 73.4 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 47% | 0.473 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 106.5 | 176.4 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | K136 Y137 | V132-K136 CarbonylContact C-O 3.51Å; V132-K136 WeakPolarHBondContact CA-O 3.46Å; V132-Y137 HydrophobicContact CG1-CE1 4.36Å; V132-Y137 HydrophobicContact CG2-CD1 3.91Å; V132-Y137 HydrophobicContact CG2-CE1 3.8Å |
| 133 | I | 72.2 | Confident | 72.8 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 38% | 0.379 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 106.5 | 177.5 | -54 | 177.5 | 0 | 0 | 0 | 106.9 | P96 E131 G135 K136 A138 | P96-I133 HydrophobicContact CG-CB 4.4Å; P96-I133 HydrophobicContact CG-CD1 4.23Å; E131-I133 HydrophobicContact CG-CD1 4.29Å; E131-I133 HydrophobicContact CG-CG1 3.87Å; I133-G135 PolarHBondContact O-N 3.36Å; I133-K136 PolarHBondContact N-O 2.95Å; I133-K136 WeakPolarHBondContact O-CA 2.98Å; I133-K136 WeakPolarHBondContact O-CB 3.4Å; I133-K136 PolarHBondContact O-N 2.91Å; I133-A138 HydrophobicContact CD1-CB 4.07Å |
| 134 | D | 64.3 | Low | 72.3 | Confident | 155 Ų | 155 | 67.6 Ų | 67.6 | 83% | 0.829 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 48.5 | 171.7 | -162 | 35.5 | 0 | 0 | 0 | 114.5 | K136 | D134-K136 PolarHBondContact O-N 2.9Š|
| 135 | G | 66.8 | Low | 72 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | I133 | I133-G135 PolarHBondContact O-N 3.36Š|
| 136 | K | 75.8 | Confident | 71.6 | Confident | 82 Ų | 82 | 70.9 Ų | 70.9 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 151.7 | 171.6 | -56.6 | 169.6 | -167.7 | -82.6 | 0 | 110 | P96 L97 T98 V132 I133 D134 | P96-K136 HydrophobicContact CB-CB 3.35Å; P96-K136 HydrophobicContact CB-CD 3.88Å; P96-K136 HydrophobicContact CB-CG 4.26Å; L97-K136 CarbonylContact O-C 3.6Å; L97-K136 WeakPolarHBondContact O-CA 3.46Å; T98-K136 HydrophobicContact CG2-CG 4.18Å; V132-K136 CarbonylContact C-O 3.51Å; V132-K136 WeakPolarHBondContact CA-O 3.46Å; I133-K136 PolarHBondContact N-O 2.95Å; I133-K136 WeakPolarHBondContact O-CA 2.98Å; I133-K136 WeakPolarHBondContact O-CB 3.4Å; I133-K136 PolarHBondContact O-N 2.91Å; D134-K136 PolarHBondContact O-N 2.9Å |
| 137 | Y | 75.4 | Confident | 71.4 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 5% | 0.051 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.1 | -178 | -57.6 | -77.2 | 0 | 0 | 0 | 109.4 | M85 L97 L99 M120 L124 I130 V132 | M85-Y137 VanDerWaalsContact CE-O 3.26Å; M85-Y137 WeakPolarHBondContact CE-O 3.43Å; L97-Y137 PolarHBondContact N-O 2.99Å; L97-Y137 VanDerWaalsContact N-O 3.14Å; L97-Y137 PolarHBondContact O-N 3.21Å; L99-Y137 HydrophobicContact CB-CD2 4.06Å; L99-Y137 HydrophobicContact CB-CE2 3.77Å; M120-Y137 PolarHBondContact O-OH 2.98Å; L124-Y137 HydrophobicContact CB-CD1 3.79Å; L124-Y137 HydrophobicContact CB-CE1 3.42Å; L124-Y137 VanDerWaalsContact CB-CE1 3.42Å; L124-Y137 HydrophobicContact CD1-CD1 3.66Å; L124-Y137 HydrophobicContact CD1-CD2 3.62Å; L124-Y137 HydrophobicContact CD1-CE1 3.46Å; L124-Y137 VanDerWaalsContact CD1-CE1 3.46Å; L124-Y137 HydrophobicContact CD1-CE2 3.43Å; L124-Y137 VanDerWaalsContact CD1-CE2 3.43Å; L124-Y137 HydrophobicContact CD1-CG 3.72Å; L124-Y137 HydrophobicContact CG-CD1 4.22Å; L124-Y137 HydrophobicContact CG-CE1 4.05Å; I130-Y137 HydrophobicContact CG2-CD1 3.89Å; I130-Y137 HydrophobicContact CG2-CG 4.37Å; V132-Y137 HydrophobicContact CG1-CE1 4.36Å; V132-Y137 HydrophobicContact CG2-CD1 3.91Å; V132-Y137 HydrophobicContact CG2-CE1 3.8Å |
| 138 | A | 75.1 | Confident | 71.3 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 150.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | M85 P96 I130 E131 I133 K140 | M85-A138 VanDerWaalsContact CE-C 3.4Å; P96-A138 HydrophobicContact CB-CB 4.37Å; P96-A138 HydrophobicContact CG-CB 4.37Å; I130-A138 CarbonylContact C-O 3.48Å; I130-A138 WeakPolarHBondContact CA-O 3.35Å; E131-A138 PolarHBondContact N-O 3.2Å; E131-A138 PolarHBondContact O-N 3.36Å; I133-A138 HydrophobicContact CD1-CB 4.07Å; A138-K140 PolarHBondContact O-N 3.35Å |
| 139 | F | 74.6 | Confident | 71.7 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.7 | 176.7 | -173.9 | -107.4 | 0 | 0 | 0 | 109.9 | V82 M85 K86 H89 K129 P141 E173 | V82-F139 HydrophobicContact CG1-CE2 4.25Å; M85-F139 HydrophobicContact CB-CB 4.17Å; M85-F139 HydrophobicContact CB-CD2 4.19Å; M85-F139 HydrophobicContact CE-CB 4.44Å; K86-F139 HydrophobicContact CB-CE1 4.43Å; K86-F139 HydrophobicContact CB-CE2 4.08Å; K86-F139 HydrophobicContact CB-CZ 4.01Å; K86-F139 HydrophobicContact CG-CE1 4.38Å; K86-F139 HydrophobicContact CG-CZ 4.12Å; H89-F139 HydrophobicContact CB-CB 4.22Å; H89-F139 HydrophobicContact CB-CD1 3.77Å; H89-F139 HydrophobicContact CB-CG 4.31Å; H89-F139 AromaticContact CG-CD1 3.73Å; K129-F139 HydrophobicContact CB-CE2 4.19Å; K129-F139 HydrophobicContact CD-CE2 4.47Å; F139-P141 HydrophobicContact CD1-CB 4.43Å; F139-P141 HydrophobicContact CE1-CB 4.01Å; F139-P141 VanDerWaalsContact O-CD 3.26Å; F139-P141 WeakPolarHBondContact O-CD 3.43Å; F139-E173 HydrophobicContact CE1-CG 4.03Å; F139-E173 HydrophobicContact CZ-CG 3.97Å; F139-E173 WeakPolarHBondContact CZ-OE1 3.33Å |
| 140 | K | 73.9 | Confident | 72.3 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | trans | -102.9 | 96.9 | 174.3 | -171.3 | 174.7 | -177.8 | 173.1 | 0 | 109.2 | K129 E131 A138 | K129-K140 CarbonylContact C-O 3.53Å; K129-K140 WeakPolarHBondContact CA-O 3.44Å; K129-K140 PolarHBondContact O-N 2.93Å; E131-K140 HydrophobicContact CB-CB 4.26Å; A138-K140 PolarHBondContact O-N 3.35Å | ||
| 141 | P | 70.8 | Confident | 72.6 | Confident | 9 Ų | 9 | 72.1 Ų | 72.1 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | trans | -62.5 | 150 | 171 | 28.3 | -34.7 | 0 | 0 | 0 | 109.7 | F139 Y143 A174 | F139-P141 HydrophobicContact CD1-CB 4.43Å; F139-P141 HydrophobicContact CE1-CB 4.01Å; F139-P141 VanDerWaalsContact O-CD 3.26Å; F139-P141 WeakPolarHBondContact O-CD 3.43Å; P141-Y143 WeakPolarHBondContact CB-O 3.39Å; P141-Y143 WeakPolarHBondContact CG-O 3.41Å; P141-Y143 PolarHBondContact O-N 2.92Å; P141-Y143 VanDerWaalsContact O-N 3.09Å; P141-A174 HydrophobicContact CB-CB 4.01Å | ||
| 142 | K | 66.5 | Low | 73 | Confident | 120 Ų | 120 | 69.7 Ų | 69.7 | 52% | 0.522 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -53.5 | -33.3 | 177.6 | -68.3 | -179.8 | -176.9 | 174.7 | 0 | 112.4 | D170 | K142-D170 WeakPolarHBondContact CD-OD1 3.45Å; K142-D170 IonicContact NZ-OD1 2.86Å; K142-D170 PolarHBondContact NZ-OD1 3.44Å; K142-D170 IonicContact NZ-OD2 3.56Å |
| 143 | Y | 67.8 | Low | 73.4 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -122.6 | 124.8 | 172.8 | -60.7 | -71.6 | 0 | 0 | 0 | 108.9 | P141 V145 L154 H158 I166 D170 A174 | P141-Y143 WeakPolarHBondContact CB-O 3.39Å; P141-Y143 WeakPolarHBondContact CG-O 3.41Å; P141-Y143 PolarHBondContact O-N 2.92Å; P141-Y143 VanDerWaalsContact O-N 3.09Å; Y143-V145 PolarHBondContact O-N 3.24Å; Y143-L154 HydrophobicContact CD1-CD1 4.11Å; Y143-L154 HydrophobicContact CD1-CD2 3.58Å; Y143-L154 HydrophobicContact CD1-CG 4.42Å; Y143-L154 HydrophobicContact CE1-CD2 4.29Å; Y143-L154 HydrophobicContact CG-CD2 3.8Å; Y143-H158 AromaticContact CE1-NE2 3.71Å; Y143-I166 HydrophobicContact CD2-CG2 4.01Å; Y143-I166 HydrophobicContact CE1-CD1 4.38Å; Y143-I166 HydrophobicContact CE2-CG2 3.53Å; Y143-D170 HydrophobicContact CD2-CB 3.9Å; Y143-D170 HydrophobicContact CE2-CB 3.78Å; Y143-A174 WeakPolarHBondContact O-CB 3.26Å |
| 144 | N | 65.5 | Low | 74 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 54% | 0.54 | 35% | 0.347 | S | S | . | . | trans | -82.3 | 63.9 | 174.6 | -175 | 22.7 | 0 | 0 | 0 | 110.1 | R146 | N144-R146 PolarHBondContact OD1-NE 3.16Š| ||
| 145 | V | 68.9 | Low | 74.9 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | trans | -98.5 | 103 | 175.4 | -71.1 | 0 | 0 | 0 | 0 | 109.7 | Y143 A150 L154 A174 | Y143-V145 PolarHBondContact O-N 3.24Å; V145-A150 HydrophobicContact CG1-CB 4.47Å; V145-L154 HydrophobicContact CG1-CB 4.09Å; V145-L154 HydrophobicContact CG1-CD2 3.52Å; V145-L154 HydrophobicContact CG1-CG 4.42Å; V145-A174 HydrophobicContact CG2-CB 3.32Å | ||
| 146 | R | 65.6 | Low | 75.8 | Confident | 170 Ų | 170 | 64.7 Ų | 64.7 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | trans | -97.5 | -13.6 | 178.6 | -57.3 | -176.2 | -158 | 165.5 | -0.2 | 113.6 | N144 L175 | N144-R146 PolarHBondContact OD1-NE 3.16Å; R146-L175 VanDerWaalsContact O-CD1 3.24Å; R146-L175 WeakPolarHBondContact O-CD1 3.26Å | ||
| 147 | D | 72.4 | Confident | 76.2 | Confident | 85 Ų | 85 | 64.8 Ų | 64.8 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -139.3 | 155.9 | -173 | -171.5 | 24.1 | 0 | 0 | 0 | 112.2 | K149 A150 L151 | D147-K149 PolarHBondContact O-N 3.37Å; D147-A150 HydrophobicContact CB-CB 4.24Å; D147-A150 WeakPolarHBondContact O-CB 3.37Å; D147-A150 PolarHBondContact O-N 2.97Å; D147-L151 PolarHBondContact O-N 2.98Å |
| 148 | K | 73.9 | Confident | 76.6 | Confident | 84 Ų | 84 | 65.2 Ų | 65.2 | 37% | 0.365 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52.7 | -42.8 | 172.4 | 159.5 | 162 | -160.5 | -158.2 | 0 | 111.6 | L151 L152 A184 L185 | K148-L151 PolarHBondContact O-N 3.49Å; K148-L152 PolarHBondContact O-N 3.23Å; K148-A184 HydrophobicContact CD-CB 4.3Å; K148-A184 WeakPolarHBondContact CE-O 3.43Å; K148-A184 VanDerWaalsContact NZ-C 3.33Å; K148-A184 PolarHBondContact NZ-O 3.44Å; K148-L185 HydrophobicContact CB-CD1 4.17Å; K148-L185 HydrophobicContact CD-CD1 3.84Å; K148-L185 HydrophobicContact CD-CG 4.23Å; K148-L185 VanDerWaalsContact CE-CG 3.4Å; K148-L185 HydrophobicContact CG-CD1 3.46Å; K148-L185 VanDerWaalsContact CG-CD1 3.46Å; K148-L185 HydrophobicContact CG-CD2 4.47Å; K148-L185 HydrophobicContact CG-CG 4.01Å |
| 149 | K | 80.3 | Confident | 77 | Confident | 161 Ų | 161 | 68.8 Ų | 68.8 | 70% | 0.7 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -69.8 | -35.4 | 177.5 | -66.8 | -177.8 | 177.8 | -179.4 | 0 | 112.3 | D147 L151 L152 R153 | D147-K149 PolarHBondContact O-N 3.37Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L152 PolarHBondContact O-N 2.89Å; K149-R153 WeakPolarHBondContact O-CB 3.44Å; K149-R153 PolarHBondContact O-N 3.26Å |
| 150 | A | 82.3 | Confident | 77.5 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V145 D147 R153 L154 | V145-A150 HydrophobicContact CG1-CB 4.47Å; D147-A150 HydrophobicContact CB-CB 4.24Å; D147-A150 WeakPolarHBondContact O-CB 3.37Å; D147-A150 PolarHBondContact O-N 2.97Å; A150-R153 PolarHBondContact O-N 2.89Å; A150-L154 WeakPolarHBondContact O-CB 3.26Å; A150-L154 PolarHBondContact O-N 3.23Å |
| 151 | L | 81.7 | Confident | 78 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 173.3 | 178.7 | 61 | 0 | 0 | 0 | 111.8 | D147 K148 K149 R153 L154 L155 I171 V182 L185 I189 | D147-L151 PolarHBondContact O-N 2.98Å; K148-L151 PolarHBondContact O-N 3.49Å; K149-L151 VanDerWaalsContact C-N 3.33Å; L151-R153 PolarHBondContact O-N 3.05Å; L151-L154 PolarHBondContact O-N 3.04Å; L151-L155 HydrophobicContact CD1-CD1 4.27Å; L151-L155 HydrophobicContact CD1-CG 4.31Å; L151-L155 HydrophobicContact CG-CD1 4.21Å; L151-L155 WeakPolarHBondContact O-CG 3.5Å; L151-L155 PolarHBondContact O-N 2.98Å; L151-I171 HydrophobicContact CD1-CD1 3.63Å; L151-I171 HydrophobicContact CD1-CG1 3.96Å; L151-I171 HydrophobicContact CD1-CG2 4.02Å; L151-I171 HydrophobicContact CD2-CG2 4.2Å; L151-V182 HydrophobicContact CD2-CG2 4.03Å; L151-L185 HydrophobicContact CD2-CD1 4.31Å; L151-I189 HydrophobicContact CD2-CD1 4.41Å |
| 152 | L | 82.9 | Confident | 78.5 | Confident | 44 Ų | 44 | 80.8 Ų | 80.8 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 177.3 | -171.3 | 63.6 | 0 | 0 | 0 | 111.8 | K148 K149 L154 L155 D156 L185 Q188 F203 | K148-L152 PolarHBondContact O-N 3.23Å; K149-L152 PolarHBondContact O-N 2.89Å; L152-L154 VanDerWaalsContact C-N 3.29Å; L152-L154 PolarHBondContact O-N 3.32Å; L152-L155 PolarHBondContact O-N 3.21Å; L152-D156 WeakPolarHBondContact O-CB 3.2Å; L152-D156 PolarHBondContact O-N 3.11Å; L152-L185 HydrophobicContact CB-CD2 3.79Å; L152-L185 HydrophobicContact CD1-CD2 3.83Å; L152-L185 HydrophobicContact CG-CD2 4.26Å; L152-Q188 HydrophobicContact CD1-CB 3.88Å; L152-Q188 HydrophobicContact CD1-CG 4.42Å; L152-F203 HydrophobicContact CD1-CD2 4.02Å; L152-F203 HydrophobicContact CD1-CE2 3.6Å; L152-F203 HydrophobicContact CG-CE2 4.32Å |
| 153 | R | 85.2 | Confident | 79 | Confident | 176 Ų | 176 | 79.6 Ų | 79.6 | 66% | 0.664 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.5 | -36.2 | 178.8 | -171.6 | 175.7 | -177 | 165.8 | 2.1 | 112.1 | K149 A150 L151 Q157 | K149-R153 WeakPolarHBondContact O-CB 3.44Å; K149-R153 PolarHBondContact O-N 3.26Å; A150-R153 PolarHBondContact O-N 2.89Å; L151-R153 PolarHBondContact O-N 3.05Å; R153-Q157 WeakPolarHBondContact O-CB 3.23Å; R153-Q157 VanDerWaalsContact O-CG 3.3Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 3.05Å |
| 154 | L | 84.7 | Confident | 79.6 | Confident | 27 Ų | 27 | 78.5 Ų | 78.5 | 14% | 0.141 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66 | -45.6 | 174.9 | -179 | 67.5 | 0 | 0 | 0 | 110.9 | Y143 V145 A150 L151 L152 Q157 H158 I166 | Y143-L154 HydrophobicContact CD1-CD1 4.11Å; Y143-L154 HydrophobicContact CD1-CD2 3.58Å; Y143-L154 HydrophobicContact CD1-CG 4.42Å; Y143-L154 HydrophobicContact CE1-CD2 4.29Å; Y143-L154 HydrophobicContact CG-CD2 3.8Å; V145-L154 HydrophobicContact CG1-CB 4.09Å; V145-L154 HydrophobicContact CG1-CD2 3.52Å; V145-L154 HydrophobicContact CG1-CG 4.42Å; A150-L154 WeakPolarHBondContact O-CB 3.26Å; A150-L154 PolarHBondContact O-N 3.23Å; L151-L154 PolarHBondContact O-N 3.04Å; L152-L154 VanDerWaalsContact C-N 3.29Å; L152-L154 PolarHBondContact O-N 3.32Å; L154-Q157 PolarHBondContact O-N 3.12Å; L154-H158 WeakPolarHBondContact O-CB 3.29Å; L154-H158 PolarHBondContact O-CD2 2.81Å; L154-H158 VanDerWaalsContact O-CD2 3.24Å; L154-H158 PolarHBondContact O-N 3.3Å; L154-I166 HydrophobicContact CD2-CD1 3.52Å; L154-I166 HydrophobicContact CG-CD1 3.69Å |
| 155 | L | 83.1 | Confident | 80.2 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 177.7 | -70.6 | 172.8 | 0 | 0 | 0 | 111.9 | L151 L152 H158 D159 I166 I189 L201 F203 | L151-L155 HydrophobicContact CD1-CD1 4.27Å; L151-L155 HydrophobicContact CD1-CG 4.31Å; L151-L155 HydrophobicContact CG-CD1 4.21Å; L151-L155 WeakPolarHBondContact O-CG 3.5Å; L151-L155 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 3.21Å; L155-H158 WeakPolarHBondContact O-CB 3.36Å; L155-H158 PolarHBondContact O-N 3.32Å; L155-D159 PolarHBondContact O-N 2.93Å; L155-I166 HydrophobicContact CD2-CB 4.5Å; L155-I166 HydrophobicContact CD2-CD1 3.95Å; L155-I166 HydrophobicContact CD2-CG1 4.24Å; L155-I189 HydrophobicContact CD1-CD1 3.8Å; L155-I189 HydrophobicContact CD1-CG1 3.81Å; L155-I189 HydrophobicContact CD1-CG2 4.32Å; L155-L201 HydrophobicContact CD2-CB 4.43Å; L155-F203 HydrophobicContact CB-CB 4.05Å; L155-F203 HydrophobicContact CB-CD2 4.07Å |
| 156 | D | 84.9 | Confident | 80.9 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 174.3 | 178 | 33.5 | 0 | 0 | 0 | 111.8 | L152 H158 D159 Q160 F203 | L152-D156 WeakPolarHBondContact O-CB 3.2Å; L152-D156 PolarHBondContact O-N 3.11Å; D156-H158 VanDerWaalsContact C-N 3.29Å; D156-H158 PolarHBondContact O-N 3.01Å; D156-D159 PolarHBondContact O-N 3.12Å; D156-Q160 VanDerWaalsContact CG-NE2 3.27Å; D156-Q160 WeakPolarHBondContact O-CG 3.24Å; D156-Q160 PolarHBondContact O-N 3.24Å; D156-Q160 PolarHBondContact OD1-NE2 3.23Å; D156-Q160 PolarHBondContact OD2-NE2 3.03Å; D156-F203 HydrophobicContact CB-CD2 4.27Å; D156-F203 HydrophobicContact CB-CE2 4.04Å; D156-F203 HydrophobicContact CB-CZ 4.37Å |
| 157 | Q | 85.1 | Confident | 81.8 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 173.7 | -77.2 | -178.6 | -3 | 0 | 0 | 113.1 | R153 L154 D159 R161 | R153-Q157 WeakPolarHBondContact O-CB 3.23Å; R153-Q157 VanDerWaalsContact O-CG 3.3Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 3.05Å; L154-Q157 PolarHBondContact O-N 3.12Å; Q157-D159 VanDerWaalsContact C-N 3.33Å; Q157-R161 VanDerWaalsContact O-CB 3.23Å; Q157-R161 WeakPolarHBondContact O-CB 3.32Å; Q157-R161 WeakPolarHBondContact O-CG 3.44Å; Q157-R161 PolarHBondContact O-N 3.42Å; Q157-R161 VanDerWaalsContact O-N 3.08Å |
| 158 | H | 84 | Confident | 82.2 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 176.5 | -96.1 | -103.4 | 0 | 0 | 0 | 111.8 | Y143 L154 L155 D156 G162 L163 G164 | Y143-H158 AromaticContact CE1-NE2 3.71Å; L154-H158 WeakPolarHBondContact O-CB 3.29Å; L154-H158 PolarHBondContact O-CD2 2.81Å; L154-H158 VanDerWaalsContact O-CD2 3.24Å; L154-H158 PolarHBondContact O-N 3.3Å; L155-H158 WeakPolarHBondContact O-CB 3.36Å; L155-H158 PolarHBondContact O-N 3.32Å; D156-H158 VanDerWaalsContact C-N 3.29Å; D156-H158 PolarHBondContact O-N 3.01Å; H158-G162 CarbonylContact O-C 3.24Å; H158-G162 PolarHBondContact O-N 3.12Å; H158-L163 PolarHBondContact O-N 2.91Å; H158-G164 PolarHBondContact ND1-O 2.96Å; H158-G164 VanDerWaalsContact ND1-O 3.11Å |
| 159 | D | 83.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 65.8 Ų | 65.8 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.9 | -51.6 | 176.9 | -167 | 41.2 | 0 | 0 | 0 | 111.5 | L155 D156 Q157 R161 G162 F203 | L155-D159 PolarHBondContact O-N 2.93Å; D156-D159 PolarHBondContact O-N 3.12Å; Q157-D159 VanDerWaalsContact C-N 3.33Å; D159-R161 PolarHBondContact O-N 3.32Å; D159-R161 VanDerWaalsContact O-N 3.16Å; D159-G162 PolarHBondContact O-N 3.21Å; D159-F203 HydrophobicContact CB-CB 4.01Å; D159-F203 HydrophobicContact CB-CD1 4.19Å; D159-F203 HydrophobicContact CB-CG 4.4Å |
| 160 | Q | 84.1 | Confident | 82.6 | Confident | 139 Ų | 139 | 59.3 Ų | 59.3 | 65% | 0.65 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.4 | -33.2 | 177.9 | -70.2 | 176 | 18.8 | 0 | 0 | 113.3 | D156 | D156-Q160 VanDerWaalsContact CG-NE2 3.27Å; D156-Q160 WeakPolarHBondContact O-CG 3.24Å; D156-Q160 PolarHBondContact O-N 3.24Å; D156-Q160 PolarHBondContact OD1-NE2 3.23Å; D156-Q160 PolarHBondContact OD2-NE2 3.03Å |
| 161 | R | 85.3 | Confident | 82.5 | Confident | 183 Ų | 183 | 57.6 Ų | 57.6 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -5.8 | 179.1 | -63.8 | 180 | 69.8 | -174.8 | 1.5 | 113.3 | Q157 D159 L163 | Q157-R161 VanDerWaalsContact O-CB 3.23Å; Q157-R161 WeakPolarHBondContact O-CB 3.32Å; Q157-R161 WeakPolarHBondContact O-CG 3.44Å; Q157-R161 PolarHBondContact O-N 3.42Å; Q157-R161 VanDerWaalsContact O-N 3.08Å; D159-R161 PolarHBondContact O-N 3.32Å; D159-R161 VanDerWaalsContact O-N 3.16Å; R161-L163 HydrophobicContact CB-CD1 3.78Å; R161-L163 HydrophobicContact CB-CG 3.83Å; R161-L163 PolarHBondContact O-N 2.95Å |
| 162 | G | 81.1 | Confident | 82.2 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 66% | 0.66 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 27.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H158 D159 G164 | H158-G162 CarbonylContact O-C 3.24Å; H158-G162 PolarHBondContact O-N 3.12Å; D159-G162 PolarHBondContact O-N 3.21Å; G162-G164 PolarHBondContact O-N 2.88Å |
| 163 | L | 77.3 | Confident | 82 | Confident | 95 Ų | 95 | 60.6 Ų | 60.6 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | trans | -77.4 | -0.2 | -179 | -69.3 | 166.5 | 0 | 0 | 0 | 112.8 | H158 R161 | H158-L163 PolarHBondContact O-N 2.91Å; R161-L163 HydrophobicContact CB-CD1 3.78Å; R161-L163 HydrophobicContact CB-CG 3.83Å; R161-L163 PolarHBondContact O-N 2.95Å | ||
| 164 | G | 79.5 | Confident | 81.3 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | trans | 76.1 | -171.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H158 G162 | H158-G164 PolarHBondContact ND1-O 2.96Å; H158-G164 VanDerWaalsContact ND1-O 3.11Å; G162-G164 PolarHBondContact O-N 2.88Å | ||
| 165 | G | 79.9 | Confident | 80.5 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 28% | 0.278 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 157.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L201 F202 | G165-L201 CarbonylContact C-O 3.53Å; G165-L201 WeakPolarHBondContact CA-O 3.39Å; G165-F202 VanDerWaalsContact CA-CE1 3.43Å |
| 166 | I | 82.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.6 | -178.4 | -55.8 | 176.1 | 0 | 0 | 0 | 109.3 | Y143 L154 L155 D170 I171 L201 | Y143-I166 HydrophobicContact CD2-CG2 4.01Å; Y143-I166 HydrophobicContact CE1-CD1 4.38Å; Y143-I166 HydrophobicContact CE2-CG2 3.53Å; L154-I166 HydrophobicContact CD2-CD1 3.52Å; L154-I166 HydrophobicContact CG-CD1 3.69Å; L155-I166 HydrophobicContact CD2-CB 4.5Å; L155-I166 HydrophobicContact CD2-CD1 3.95Å; L155-I166 HydrophobicContact CD2-CG1 4.24Å; I166-D170 HydrophobicContact CG2-CB 4.32Å; I166-I171 HydrophobicContact CB-CD1 3.84Å; I166-I171 HydrophobicContact CB-CG1 4.5Å; I166-I171 HydrophobicContact CG2-CD1 3.55Å; I166-I171 HydrophobicContact CG2-CG1 3.68Å; I166-L201 PolarHBondContact N-O 2.88Å; I166-L201 PolarHBondContact O-N 3.37Å |
| 167 | L | 84.5 | Confident | 79 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 139.5 | 178.1 | -148.5 | 65.7 | 0 | 0 | 0 | 110.6 | E169 D170 I171 K198 I200 | L167-E169 HydrophobicContact CD2-CB 4.42Å; L167-E169 PolarHBondContact O-N 2.76Å; L167-D170 PolarHBondContact O-N 3.29Å; L167-I171 PolarHBondContact O-N 3.39Å; L167-K198 HydrophobicContact CD1-CB 4.19Å; L167-K198 HydrophobicContact CD2-CD 4.22Å; L167-I200 HydrophobicContact CD1-CG1 3.68Å |
| 168 | L | 81.5 | Confident | 78.3 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.3 | -35.3 | 178.8 | -179.1 | 66.5 | 0 | 0 | 0 | 112.5 | D170 I171 E172 K199 L201 | L168-D170 VanDerWaalsContact C-N 3.29Å; L168-D170 PolarHBondContact O-N 2.88Å; L168-I171 PolarHBondContact O-N 2.89Å; L168-E172 WeakPolarHBondContact O-CB 3.31Å; L168-E172 PolarHBondContact O-N 2.97Å; L168-K199 HydrophobicContact CB-CB 4.16Å; L168-K199 VanDerWaalsContact CB-O 3.31Å; L168-K199 WeakPolarHBondContact CB-O 3.37Å; L168-K199 HydrophobicContact CD2-CB 4.01Å; L168-K199 HydrophobicContact CD2-CD 4.1Å; L168-K199 HydrophobicContact CD2-CG 4.49Å; L168-K199 PolarHBondContact N-O 2.88Å; L168-L201 HydrophobicContact CB-CD1 4.42Å; L168-L201 HydrophobicContact CD1-CD1 3.68Å; L168-L201 HydrophobicContact CD1-CG 4.45Å |
| 169 | E | 80.1 | Confident | 77.9 | Confident | 93 Ų | 93 | 55.6 Ų | 55.6 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 176.5 | -64.8 | 173 | -168.9 | 0 | 0 | 112.1 | L167 I171 E173 K198 | L167-E169 HydrophobicContact CD2-CB 4.42Å; L167-E169 PolarHBondContact O-N 2.76Å; E169-I171 VanDerWaalsContact C-N 3.33Å; E169-E173 WeakPolarHBondContact O-CB 3.36Å; E169-E173 PolarHBondContact O-N 3.08Å; E169-K198 VanDerWaalsContact CD-NZ 3.34Å; E169-K198 WeakPolarHBondContact OE1-CE 3.01Å; E169-K198 IonicContact OE1-NZ 3.95Å; E169-K198 PolarHBondContact OE1-NZ 2.48Å; E169-K198 IonicContact OE2-NZ 3.24Å; E169-K198 PolarHBondContact OE2-NZ 2.91Å |
| 170 | D | 81.6 | Confident | 77.7 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.8 | -28.5 | -179.6 | -65.6 | -36.5 | 0 | 0 | 0 | 111.3 | K142 Y143 I166 L167 L168 A174 | K142-D170 WeakPolarHBondContact CD-OD1 3.45Å; K142-D170 IonicContact NZ-OD1 2.86Å; K142-D170 PolarHBondContact NZ-OD1 3.44Å; K142-D170 IonicContact NZ-OD2 3.56Å; Y143-D170 HydrophobicContact CD2-CB 3.9Å; Y143-D170 HydrophobicContact CE2-CB 3.78Å; I166-D170 HydrophobicContact CG2-CB 4.32Å; L167-D170 PolarHBondContact O-N 3.29Å; L168-D170 VanDerWaalsContact C-N 3.29Å; L168-D170 PolarHBondContact O-N 2.88Å; D170-A174 PolarHBondContact O-N 2.89Å |
| 171 | I | 79.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -79.9 | -35.4 | 175.4 | -70.5 | 164.1 | 0 | 0 | 0 | 111.2 | L151 I166 L167 L168 E169 E173 A174 L175 L201 | L151-I171 HydrophobicContact CD1-CD1 3.63Å; L151-I171 HydrophobicContact CD1-CG1 3.96Å; L151-I171 HydrophobicContact CD1-CG2 4.02Å; L151-I171 HydrophobicContact CD2-CG2 4.2Å; I166-I171 HydrophobicContact CB-CD1 3.84Å; I166-I171 HydrophobicContact CB-CG1 4.5Å; I166-I171 HydrophobicContact CG2-CD1 3.55Å; I166-I171 HydrophobicContact CG2-CG1 3.68Å; L167-I171 PolarHBondContact O-N 3.39Å; L168-I171 PolarHBondContact O-N 2.89Å; E169-I171 VanDerWaalsContact C-N 3.33Å; I171-E173 VanDerWaalsContact C-N 3.31Å; I171-A174 PolarHBondContact O-N 3.34Å; I171-L175 PolarHBondContact O-N 2.85Å; I171-L201 HydrophobicContact CB-CD1 4.42Å; I171-L201 HydrophobicContact CD1-CB 4.21Å; I171-L201 HydrophobicContact CD1-CD1 3.28Å; I171-L201 HydrophobicContact CD1-CG 4.31Å; I171-L201 HydrophobicContact CG1-CD1 4.4Å |
| 172 | E | 76.3 | Confident | 77.1 | Confident | 97 Ų | 97 | 43.9 Ų | 43.9 | 45% | 0.453 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.8 | -28.8 | 171.9 | -174.3 | 173.4 | -167.1 | 0 | 0 | 112.8 | Q90 L168 A174 | Q90-E172 PolarHBondContact NE2-O 3.09Å; L168-E172 WeakPolarHBondContact O-CB 3.31Å; L168-E172 PolarHBondContact O-N 2.97Å; E172-A174 VanDerWaalsContact C-N 3.32Å |
| 173 | E | 77.3 | Confident | 77 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68 | -33.1 | 170.2 | 178.1 | 162 | -126.3 | 0 | 0 | 112.3 | K129 F139 E169 I171 | K129-E173 IonicContact NZ-OE1 3.84Å; K129-E173 PolarHBondContact NZ-OE1 2.75Å; K129-E173 IonicContact NZ-OE2 2.74Å; K129-E173 PolarHBondContact NZ-OE2 3.13Å; F139-E173 HydrophobicContact CE1-CG 4.03Å; F139-E173 HydrophobicContact CZ-CG 3.97Å; F139-E173 WeakPolarHBondContact CZ-OE1 3.33Å; E169-E173 WeakPolarHBondContact O-CB 3.36Å; E169-E173 PolarHBondContact O-N 3.08Å; I171-E173 VanDerWaalsContact C-N 3.31Å |
| 174 | A | 70.4 | Confident | 77.3 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -88 | -40.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H89 P141 Y143 V145 D170 I171 E172 | H89-A174 PolarHBondContact NE2-O 3.46Å; P141-A174 HydrophobicContact CB-CB 4.01Å; Y143-A174 WeakPolarHBondContact O-CB 3.26Å; V145-A174 HydrophobicContact CG2-CB 3.32Å; D170-A174 PolarHBondContact O-N 2.89Å; I171-A174 PolarHBondContact O-N 3.34Å; E172-A174 VanDerWaalsContact C-N 3.32Å |
| 175 | L | 69.5 | Low | 77.2 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -121 | 116.8 | -172.6 | -171.4 | 72.1 | 0 | 0 | 0 | 110.9 | R146 I171 N177 S178 A181 | R146-L175 VanDerWaalsContact O-CD1 3.24Å; R146-L175 WeakPolarHBondContact O-CD1 3.26Å; I171-L175 PolarHBondContact O-N 2.85Å; L175-N177 PolarHBondContact O-N 3.17Å; L175-S178 PolarHBondContact O-N 3.32Å; L175-A181 HydrophobicContact CD2-CB 3.64Å |
| 176 | P | 67.8 | Low | 76.9 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 128.9 | 165.7 | 25.2 | -28.2 | 0 | 0 | 0 | 109.7 | Q90 | Q90-P176 HydrophobicContact CB-CB 4.33Å; Q90-P176 WeakPolarHBondContact O-CB 3.2Å; Q90-P176 WeakPolarHBondContact O-CG 3.43Å |
| 177 | N | 67.9 | Low | 76.7 | Confident | 103 Ų | 103 | 50.2 Ų | 50.2 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 33.2 | -172.4 | -146.8 | 1.2 | 0 | 0 | 0 | 115.6 | L175 Q179 K180 A181 | L175-N177 PolarHBondContact O-N 3.17Å; N177-Q179 PolarHBondContact O-N 2.88Å; N177-Q179 VanDerWaalsContact O-N 3.17Å; N177-K180 VanDerWaalsContact CG-CB 3.43Å; N177-K180 WeakPolarHBondContact ND2-CD 3.36Å; N177-K180 PolarHBondContact O-N 2.68Å; N177-K180 VanDerWaalsContact O-N 3.08Å; N177-K180 WeakPolarHBondContact OD1-CB 3.37Å; N177-A181 PolarHBondContact O-N 2.79Å; N177-A181 VanDerWaalsContact O-N 3.1Å |
| 178 | S | 70.9 | Confident | 76.4 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -46.5 | -41.2 | 169.7 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | L175 K180 A181 V182 | L175-S178 PolarHBondContact O-N 3.32Å; S178-K180 PolarHBondContact O-N 2.74Å; S178-A181 PolarHBondContact O-N 3.06Å; S178-V182 WeakPolarHBondContact O-CB 3.43Å; S178-V182 WeakPolarHBondContact O-CG2 3.35Å; S178-V182 PolarHBondContact O-N 2.88Å |
| 179 | Q | 75.2 | Confident | 76.5 | Confident | 82 Ų | 82 | 50.9 Ų | 50.9 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 178.8 | -66 | -62.1 | -47.8 | 0 | 0 | 113.2 | N177 K183 | N177-Q179 PolarHBondContact O-N 2.88Å; N177-Q179 VanDerWaalsContact O-N 3.17Å; Q179-K183 WeakPolarHBondContact O-CB 3.36Å; Q179-K183 VanDerWaalsContact O-CG 3.26Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 3.19Å |
| 180 | K | 79.3 | Confident | 76.6 | Confident | 145 Ų | 145 | 50.5 Ų | 50.5 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70.5 | -39.8 | 178 | -173.7 | 179.9 | -177.7 | -179.8 | 0 | 111.2 | N177 S178 A184 | N177-K180 VanDerWaalsContact CG-CB 3.43Å; N177-K180 WeakPolarHBondContact ND2-CD 3.36Å; N177-K180 PolarHBondContact O-N 2.68Å; N177-K180 VanDerWaalsContact O-N 3.08Å; N177-K180 WeakPolarHBondContact OD1-CB 3.37Å; S178-K180 PolarHBondContact O-N 2.74Å; K180-A184 VanDerWaalsContact O-CB 3.23Å; K180-A184 WeakPolarHBondContact O-CB 3.27Å; K180-A184 PolarHBondContact O-N 2.88Å |
| 181 | A | 75.6 | Confident | 76.8 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -54.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L175 N177 S178 K183 A184 L185 | L175-A181 HydrophobicContact CD2-CB 3.64Å; N177-A181 PolarHBondContact O-N 2.79Å; N177-A181 VanDerWaalsContact O-N 3.1Å; S178-A181 PolarHBondContact O-N 3.06Å; A181-K183 PolarHBondContact O-N 2.87Å; A181-A184 CarbonylContact O-C 3.6Å; A181-A184 WeakPolarHBondContact O-CA 3.5Å; A181-A184 WeakPolarHBondContact O-CB 3.43Å; A181-A184 PolarHBondContact O-N 3.1Å; A181-L185 HydrophobicContact CB-CD1 4.36Å; A181-L185 WeakPolarHBondContact O-CD1 3.26Å; A181-L185 PolarHBondContact O-N 3.45Å |
| 182 | V | 80.1 | Confident | 77 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | -180 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | L151 S178 A184 L185 G186 I189 F191 L201 | L151-V182 HydrophobicContact CD2-CG2 4.03Å; S178-V182 WeakPolarHBondContact O-CB 3.43Å; S178-V182 WeakPolarHBondContact O-CG2 3.35Å; S178-V182 PolarHBondContact O-N 2.88Å; V182-A184 VanDerWaalsContact C-N 3.32Å; V182-A184 PolarHBondContact O-N 3.1Å; V182-L185 CarbonylContact O-C 3.59Å; V182-L185 PolarHBondContact O-N 2.91Å; V182-L185 VanDerWaalsContact O-N 3.12Å; V182-G186 WeakPolarHBondContact O-CA 3.49Å; V182-G186 PolarHBondContact O-N 3.49Å; V182-I189 HydrophobicContact CG1-CD1 4.17Å; V182-I189 HydrophobicContact CG2-CD1 4.48Å; V182-F191 HydrophobicContact CG1-CE1 3.61Å; V182-F191 HydrophobicContact CG1-CE2 4.23Å; V182-F191 HydrophobicContact CG1-CZ 3.24Å; V182-L201 HydrophobicContact CG1-CD2 3.78Å; V182-L201 HydrophobicContact CG2-CD1 3.98Å; V182-L201 HydrophobicContact CG2-CD2 4.44Å |
| 183 | K | 80.8 | Confident | 77.4 | Confident | 169 Ų | 169 | 57.2 Ų | 57.2 | 74% | 0.735 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.5 | -41.7 | 173.5 | -77.6 | -178.6 | 178.7 | -172.9 | 0 | 112.3 | Q179 A181 L185 G186 | Q179-K183 WeakPolarHBondContact O-CB 3.36Å; Q179-K183 VanDerWaalsContact O-CG 3.26Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 3.19Å; A181-K183 PolarHBondContact O-N 2.87Å; K183-L185 VanDerWaalsContact C-N 3.26Å; K183-L185 PolarHBondContact O-N 3.39Å; K183-G186 PolarHBondContact O-N 2.74Å |
| 184 | A | 81.8 | Confident | 77.5 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 49% | 0.488 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.8 | -21.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K148 K180 A181 V182 | K148-A184 HydrophobicContact CD-CB 4.3Å; K148-A184 WeakPolarHBondContact CE-O 3.43Å; K148-A184 VanDerWaalsContact NZ-C 3.33Å; K148-A184 PolarHBondContact NZ-O 3.44Å; K180-A184 VanDerWaalsContact O-CB 3.23Å; K180-A184 WeakPolarHBondContact O-CB 3.27Å; K180-A184 PolarHBondContact O-N 2.88Å; A181-A184 CarbonylContact O-C 3.6Å; A181-A184 WeakPolarHBondContact O-CA 3.5Å; A181-A184 WeakPolarHBondContact O-CB 3.43Å; A181-A184 PolarHBondContact O-N 3.1Å; V182-A184 VanDerWaalsContact C-N 3.32Å; V182-A184 PolarHBondContact O-N 3.1Å |
| 185 | L | 77.7 | Confident | 78 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -90.8 | -7.7 | 171.7 | -79.1 | 109.5 | 0 | 0 | 0 | 112.9 | K148 L151 L152 A181 V182 K183 D187 Q188 I189 | K148-L185 HydrophobicContact CB-CD1 4.17Å; K148-L185 HydrophobicContact CD-CD1 3.84Å; K148-L185 HydrophobicContact CD-CG 4.23Å; K148-L185 VanDerWaalsContact CE-CG 3.4Å; K148-L185 HydrophobicContact CG-CD1 3.46Å; K148-L185 VanDerWaalsContact CG-CD1 3.46Å; K148-L185 HydrophobicContact CG-CD2 4.47Å; K148-L185 HydrophobicContact CG-CG 4.01Å; L151-L185 HydrophobicContact CD2-CD1 4.31Å; L152-L185 HydrophobicContact CB-CD2 3.79Å; L152-L185 HydrophobicContact CD1-CD2 3.83Å; L152-L185 HydrophobicContact CG-CD2 4.26Å; A181-L185 HydrophobicContact CB-CD1 4.36Å; A181-L185 WeakPolarHBondContact O-CD1 3.26Å; A181-L185 PolarHBondContact O-N 3.45Å; V182-L185 CarbonylContact O-C 3.59Å; V182-L185 PolarHBondContact O-N 2.91Å; V182-L185 VanDerWaalsContact O-N 3.12Å; K183-L185 VanDerWaalsContact C-N 3.26Å; K183-L185 PolarHBondContact O-N 3.39Å; L185-D187 PolarHBondContact O-N 3Å; L185-Q188 WeakPolarHBondContact O-CB 3.47Å; L185-Q188 PolarHBondContact O-N 3.28Å; L185-I189 HydrophobicContact CB-CD1 3.52Å; L185-I189 HydrophobicContact CB-CG1 3.96Å; L185-I189 HydrophobicContact CD1-CD1 4.4Å; L185-I189 HydrophobicContact CD2-CD1 4.08Å; L185-I189 HydrophobicContact CD2-CG1 4.47Å; L185-I189 HydrophobicContact CG-CD1 4.18Å |
| 186 | G | 75.1 | Confident | 78.5 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 32% | 0.32 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -43.4 | -34.6 | -152.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | V182 K183 Q188 I189 | V182-G186 WeakPolarHBondContact O-CA 3.49Å; V182-G186 PolarHBondContact O-N 3.49Å; K183-G186 PolarHBondContact O-N 2.74Å; G186-Q188 VanDerWaalsContact C-N 3.29Å; G186-Q188 PolarHBondContact O-N 3.21Å; G186-I189 PolarHBondContact O-N 2.78Å |
| 187 | D | 77.8 | Confident | 79 | Confident | 93 Ų | 93 | 77.7 Ų | 77.7 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -72.4 | -18.1 | 179.1 | -147.3 | 40.3 | 0 | 0 | 0 | 114.5 | L185 N204 K206 | L185-D187 PolarHBondContact O-N 3Å; D187-N204 PolarHBondContact O-ND2 3.39Å; D187-K206 WeakPolarHBondContact O-CE 3.42Å; D187-K206 IonicContact OD2-NZ 2.69Å; D187-K206 PolarHBondContact OD2-NZ 3.03Å |
| 188 | Q | 78.9 | Confident | 79.7 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -97.3 | -3.1 | 177.7 | -65.4 | 176 | -25.2 | 0 | 0 | 112.9 | L152 L185 G186 N204 | L152-Q188 HydrophobicContact CD1-CB 3.88Å; L152-Q188 HydrophobicContact CD1-CG 4.42Å; L185-Q188 WeakPolarHBondContact O-CB 3.47Å; L185-Q188 PolarHBondContact O-N 3.28Å; G186-Q188 VanDerWaalsContact C-N 3.29Å; G186-Q188 PolarHBondContact O-N 3.21Å; Q188-N204 VanDerWaalsContact C-CB 3.46Å; Q188-N204 WeakPolarHBondContact O-CB 3.2Å; Q188-N204 PolarHBondContact O-N 3.47Å |
| 189 | I | 82.4 | Confident | 80.3 | Confident | 5 Ų | 5 | 80.8 Ų | 80.8 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 126.5 | -174.9 | -54.3 | 178.3 | 0 | 0 | 0 | 109.9 | L151 L155 V182 L185 G186 L201 F202 | L151-I189 HydrophobicContact CD2-CD1 4.41Å; L155-I189 HydrophobicContact CD1-CD1 3.8Å; L155-I189 HydrophobicContact CD1-CG1 3.81Å; L155-I189 HydrophobicContact CD1-CG2 4.32Å; V182-I189 HydrophobicContact CG1-CD1 4.17Å; V182-I189 HydrophobicContact CG2-CD1 4.48Å; L185-I189 HydrophobicContact CB-CD1 3.52Å; L185-I189 HydrophobicContact CB-CG1 3.96Å; L185-I189 HydrophobicContact CD1-CD1 4.4Å; L185-I189 HydrophobicContact CD2-CD1 4.08Å; L185-I189 HydrophobicContact CD2-CG1 4.47Å; L185-I189 HydrophobicContact CG-CD1 4.18Å; G186-I189 PolarHBondContact O-N 2.78Å; I189-L201 HydrophobicContact CG2-CB 3.95Å; I189-L201 HydrophobicContact CG2-CD2 3.58Å; I189-L201 HydrophobicContact CG2-CG 4.34Å; I189-F202 CarbonylContact C-O 3.58Å; I189-F202 VanDerWaalsContact CA-O 3.28Å; I189-F202 WeakPolarHBondContact CA-O 3.34Å; I189-F202 WeakPolarHBondContact CG2-O 3.43Å |
| 190 | L | 83.2 | Confident | 80.8 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 45% | 0.445 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.5 | 171.7 | -73.7 | 160.3 | 0 | 0 | 0 | 110.1 | F202 N204 | L190-F202 HydrophobicContact CB-CB 4.04Å; L190-F202 PolarHBondContact N-O 2.69Å; L190-F202 PolarHBondContact O-N 3.42Å; L190-N204 HydrophobicContact CD1-CB 4.12Å; L190-N204 HydrophobicContact CG-CB 3.84Å |
| 191 | F | 85.1 | Confident | 81.1 | Confident | 107 Ų | 107 | 71.2 Ų | 71.2 | 47% | 0.469 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.5 | 174.2 | -67.3 | -87.4 | 0 | 0 | 0 | 110.5 | V182 L201 | V182-F191 HydrophobicContact CG1-CE1 3.61Å; V182-F191 HydrophobicContact CG1-CE2 4.23Å; V182-F191 HydrophobicContact CG1-CZ 3.24Å; F191-L201 HydrophobicContact CD1-CD2 3.51Å; F191-L201 HydrophobicContact CE1-CD2 3.35Å; F191-L201 HydrophobicContact CG-CD2 4.44Å; F191-L201 HydrophobicContact CZ-CD2 4.17Å |
| 192 | V | 84.1 | Confident | 81.5 | Confident | 67 Ų | 67 | 74 Ų | 74 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 113.2 | 169.3 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | I200 F202 | V192-I200 HydrophobicContact CB-CB 4.37Å; V192-I200 PolarHBondContact N-O 2.89Å; V192-I200 PolarHBondContact O-N 3.28Å; V192-F202 HydrophobicContact CB-CD2 4.2Å; V192-F202 HydrophobicContact CB-CE2 3.95Å; V192-F202 HydrophobicContact CG2-CD2 3.6Å; V192-F202 HydrophobicContact CG2-CE2 3.61Å |
| 193 | S | 84 | Confident | 81.7 | Confident | 88 Ų | 88 | 76 Ų | 76 | 62% | 0.615 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.8 | 172.7 | -171 | 0 | 0 | 0 | 0 | 109.1 | ||
| 194 | R | 81.1 | Confident | 81.9 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | trans | -80.6 | 161.2 | 170.3 | -84 | -179.7 | 63.3 | 173.6 | 3.4 | 110.6 | D196 K197 K198 I200 | R194-D196 WeakPolarHBondContact CB-OD1 3.4Å; R194-D196 IonicContact CZ-OD2 2.88Å; R194-D196 IonicContact NE-OD2 3.87Å; R194-D196 PolarHBondContact NE-OD2 3.38Å; R194-D196 IonicContact NH1-OD2 3.04Å; R194-D196 IonicContact NH2-OD2 2.68Å; R194-D196 PolarHBondContact O-N 3.44Å; R194-D196 VanDerWaalsContact O-N 3.13Å; R194-K197 PolarHBondContact O-N 2.88Å; R194-K197 VanDerWaalsContact O-N 3.13Å; R194-K198 PolarHBondContact N-O 3.4Å; R194-I200 VanDerWaalsContact CD-CD1 3.45Å; R194-I200 HydrophobicContact CG-CD1 3.92Å | ||
| 195 | P | 79.6 | Confident | 81.8 | Confident | 134 Ų | 134 | 70 Ų | 70 | 87% | 0.87 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -15.9 | 176.7 | 25.8 | -35.6 | 0 | 0 | 0 | 113.4 | K197 | P195-K197 PolarHBondContact O-N 3.1Š|
| 196 | D | 79.7 | Confident | 81.5 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 9.5 | 175.7 | 60.8 | 7.5 | 0 | 0 | 0 | 113.7 | R194 K198 | R194-D196 WeakPolarHBondContact CB-OD1 3.4Å; R194-D196 IonicContact CZ-OD2 2.88Å; R194-D196 IonicContact NE-OD2 3.87Å; R194-D196 PolarHBondContact NE-OD2 3.38Å; R194-D196 IonicContact NH1-OD2 3.04Å; R194-D196 IonicContact NH2-OD2 2.68Å; R194-D196 PolarHBondContact O-N 3.44Å; R194-D196 VanDerWaalsContact O-N 3.13Å; D196-K198 HydrophobicContact CB-CG 4.34Å; D196-K198 PolarHBondContact O-N 3.29Å; D196-K198 VanDerWaalsContact O-N 3.13Å; D196-K198 VanDerWaalsContact OD1-CB 3.23Å; D196-K198 WeakPolarHBondContact OD1-CB 3.36Å; D196-K198 PolarHBondContact OD1-N 2.75Å |
| 197 | K | 78.7 | Confident | 81.4 | Confident | 189 Ų | 189 | 77.4 Ų | 77.4 | 82% | 0.822 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 62.4 | 6.7 | -173.5 | -54.9 | 177.2 | -179.5 | 176.2 | 0 | 114.2 | R194 P195 | R194-K197 PolarHBondContact O-N 2.88Å; R194-K197 VanDerWaalsContact O-N 3.13Å; P195-K197 PolarHBondContact O-N 3.1Å |
| 198 | K | 82.5 | Confident | 80.9 | Confident | 72 Ų | 72 | 78.2 Ų | 78.2 | 31% | 0.313 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 139.6 | 174.7 | -56.2 | -173.4 | 176.3 | -129.4 | 0 | 109.2 | L167 E169 R194 D196 | L167-K198 HydrophobicContact CD1-CB 4.19Å; L167-K198 HydrophobicContact CD2-CD 4.22Å; E169-K198 VanDerWaalsContact CD-NZ 3.34Å; E169-K198 WeakPolarHBondContact OE1-CE 3.01Å; E169-K198 IonicContact OE1-NZ 3.95Å; E169-K198 PolarHBondContact OE1-NZ 2.48Å; E169-K198 IonicContact OE2-NZ 3.24Å; E169-K198 PolarHBondContact OE2-NZ 2.91Å; R194-K198 PolarHBondContact N-O 3.4Å; D196-K198 HydrophobicContact CB-CG 4.34Å; D196-K198 PolarHBondContact O-N 3.29Å; D196-K198 VanDerWaalsContact O-N 3.13Å; D196-K198 VanDerWaalsContact OD1-CB 3.23Å; D196-K198 WeakPolarHBondContact OD1-CB 3.36Å; D196-K198 PolarHBondContact OD1-N 2.75Å |
| 199 | K | 84.8 | Confident | 80.5 | Confident | 99 Ų | 99 | 80.7 Ų | 80.7 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.1 | 177.9 | -63 | -179.6 | -176.9 | 178.9 | 0 | 109 | L168 | L168-K199 HydrophobicContact CB-CB 4.16Å; L168-K199 VanDerWaalsContact CB-O 3.31Å; L168-K199 WeakPolarHBondContact CB-O 3.37Å; L168-K199 HydrophobicContact CD2-CB 4.01Å; L168-K199 HydrophobicContact CD2-CD 4.1Å; L168-K199 HydrophobicContact CD2-CG 4.49Å; L168-K199 PolarHBondContact N-O 2.88Å |
| 200 | I | 85.5 | Confident | 80.4 | Confident | 26 Ų | 26 | 88.9 Ų | 88.9 | 13% | 0.133 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.3 | 170.7 | -57.6 | 167.8 | 0 | 0 | 0 | 107.8 | L167 V192 R194 F202 | L167-I200 HydrophobicContact CD1-CG1 3.68Å; V192-I200 HydrophobicContact CB-CB 4.37Å; V192-I200 PolarHBondContact N-O 2.89Å; V192-I200 PolarHBondContact O-N 3.28Å; R194-I200 VanDerWaalsContact CD-CD1 3.45Å; R194-I200 HydrophobicContact CG-CD1 3.92Å; I200-F202 HydrophobicContact CB-CD2 4.41Å; I200-F202 HydrophobicContact CB-CE2 3.94Å; I200-F202 HydrophobicContact CG2-CD2 3.79Å; I200-F202 HydrophobicContact CG2-CE2 3.32Å; I200-F202 HydrophobicContact CG2-CZ 3.87Å |
| 201 | L | 84.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 90.1 Ų | 90.1 | 0% | 0 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.6 | 177.5 | -63.1 | 167.3 | 0 | 0 | 0 | 108.3 | L155 G165 I166 L168 I171 V182 I189 F191 | L155-L201 HydrophobicContact CD2-CB 4.43Å; G165-L201 CarbonylContact C-O 3.53Å; G165-L201 WeakPolarHBondContact CA-O 3.39Å; I166-L201 PolarHBondContact N-O 2.88Å; I166-L201 PolarHBondContact O-N 3.37Å; L168-L201 HydrophobicContact CB-CD1 4.42Å; L168-L201 HydrophobicContact CD1-CD1 3.68Å; L168-L201 HydrophobicContact CD1-CG 4.45Å; I171-L201 HydrophobicContact CB-CD1 4.42Å; I171-L201 HydrophobicContact CD1-CB 4.21Å; I171-L201 HydrophobicContact CD1-CD1 3.28Å; I171-L201 HydrophobicContact CD1-CG 4.31Å; I171-L201 HydrophobicContact CG1-CD1 4.4Å; V182-L201 HydrophobicContact CG1-CD2 3.78Å; V182-L201 HydrophobicContact CG2-CD1 3.98Å; V182-L201 HydrophobicContact CG2-CD2 4.44Å; I189-L201 HydrophobicContact CG2-CB 3.95Å; I189-L201 HydrophobicContact CG2-CD2 3.58Å; I189-L201 HydrophobicContact CG2-CG 4.34Å; F191-L201 HydrophobicContact CD1-CD2 3.51Å; F191-L201 HydrophobicContact CE1-CD2 3.35Å; F191-L201 HydrophobicContact CG-CD2 4.44Å; F191-L201 HydrophobicContact CZ-CD2 4.17Å |
| 202 | F | 85.2 | Confident | 80.3 | Confident | 70 Ų | 70 | 87.4 Ų | 87.4 | 31% | 0.307 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 152.4 | 173.5 | -74.8 | -88.5 | 0 | 0 | 0 | 110 | G165 I189 L190 V192 I200 | G165-F202 VanDerWaalsContact CA-CE1 3.43Å; I189-F202 CarbonylContact C-O 3.58Å; I189-F202 VanDerWaalsContact CA-O 3.28Å; I189-F202 WeakPolarHBondContact CA-O 3.34Å; I189-F202 WeakPolarHBondContact CG2-O 3.43Å; L190-F202 HydrophobicContact CB-CB 4.04Å; L190-F202 PolarHBondContact N-O 2.69Å; L190-F202 PolarHBondContact O-N 3.42Å; V192-F202 HydrophobicContact CB-CD2 4.2Å; V192-F202 HydrophobicContact CB-CE2 3.95Å; V192-F202 HydrophobicContact CG2-CD2 3.6Å; V192-F202 HydrophobicContact CG2-CE2 3.61Å; I200-F202 HydrophobicContact CB-CD2 4.41Å; I200-F202 HydrophobicContact CB-CE2 3.94Å; I200-F202 HydrophobicContact CG2-CD2 3.79Å; I200-F202 HydrophobicContact CG2-CE2 3.32Å; I200-F202 HydrophobicContact CG2-CZ 3.87Å |
| 203 | F | 84.6 | Confident | 80.6 | Confident | 46 Ų | 46 | 89.6 Ų | 89.6 | 20% | 0.202 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 135.2 | 167.6 | -172.9 | -107 | 0 | 0 | 0 | 109.5 | L152 L155 D156 D159 D205 | L152-F203 HydrophobicContact CD1-CD2 4.02Å; L152-F203 HydrophobicContact CD1-CE2 3.6Å; L152-F203 HydrophobicContact CG-CE2 4.32Å; L155-F203 HydrophobicContact CB-CB 4.05Å; L155-F203 HydrophobicContact CB-CD2 4.07Å; D156-F203 HydrophobicContact CB-CD2 4.27Å; D156-F203 HydrophobicContact CB-CE2 4.04Å; D156-F203 HydrophobicContact CB-CZ 4.37Å; D159-F203 HydrophobicContact CB-CB 4.01Å; D159-F203 HydrophobicContact CB-CD1 4.19Å; D159-F203 HydrophobicContact CB-CG 4.4Å; F203-D205 HydrophobicContact CE1-CB 4.48Å |
| 204 | N | 83.6 | Confident | 80.7 | Confident | 27 Ų | 27 | 93.3 Ų | 93.3 | 14% | 0.144 | 48% | 0.478 | C | S | . | . | trans | -97.3 | 107.7 | 172.3 | -168.5 | 19.7 | 0 | 0 | 0 | 109.1 | D187 Q188 L190 K206 | D187-N204 PolarHBondContact O-ND2 3.39Å; Q188-N204 VanDerWaalsContact C-CB 3.46Å; Q188-N204 WeakPolarHBondContact O-CB 3.2Å; Q188-N204 PolarHBondContact O-N 3.47Å; L190-N204 HydrophobicContact CD1-CB 4.12Å; L190-N204 HydrophobicContact CG-CB 3.84Å; N204-K206 PolarHBondContact O-N 2.88Å; N204-K206 VanDerWaalsContact O-N 3.13Å | ||
| 205 | D | 79.4 | Confident | 81.1 | Confident | 73 Ų | 73 | 94.7 Ų | 94.7 | 39% | 0.39 | 49% | 0.49 | S | S | . | . | trans | -72.7 | 106.7 | 170.6 | -173.2 | 4.4 | 0 | 0 | 0 | 109.8 | F203 S207 C208 | F203-D205 HydrophobicContact CE1-CB 4.48Å; D205-S207 PolarHBondContact O-N 3.37Å; D205-S207 VanDerWaalsContact O-N 3.17Å; D205-S207 WeakPolarHBondContact OD1-CB 3.33Å; D205-S207 PolarHBondContact OD1-N 3.27Å; D205-S207 PolarHBondContact OD1-OG 3.09Å; D205-C208 PolarHBondContact O-N 2.88Å | ||
| 206 | K | 72.5 | Confident | 81.6 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 41% | 0.409 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -67.2 | -11.2 | 178.6 | -64.9 | -166.5 | 170.8 | -146.5 | 0 | 113.2 | D187 N204 C208 | D187-K206 WeakPolarHBondContact O-CE 3.42Å; D187-K206 IonicContact OD2-NZ 2.69Å; D187-K206 PolarHBondContact OD2-NZ 3.03Å; N204-K206 PolarHBondContact O-N 2.88Å; N204-K206 VanDerWaalsContact O-N 3.13Å; K206-C208 PolarHBondContact O-N 3.17Å |
| 207 | S | 72.4 | Confident | 82.1 | Confident | 98 Ų | 98 | 94.4 Ų | 94.4 | 69% | 0.685 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -64.2 | -25.6 | 179.3 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | D205 | D205-S207 PolarHBondContact O-N 3.37Å; D205-S207 VanDerWaalsContact O-N 3.17Å; D205-S207 WeakPolarHBondContact OD1-CB 3.33Å; D205-S207 PolarHBondContact OD1-N 3.27Å; D205-S207 PolarHBondContact OD1-OG 3.09Å |
| 208 | C | 67.3 | Low | 82.6 | Confident | 110 Ų | 110 | 93.1 Ų | 93.1 | 74% | 0.743 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -125.9 | 41 | -175.6 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | D205 K206 F210 | D205-C208 PolarHBondContact O-N 2.88Å; K206-C208 PolarHBondContact O-N 3.17Å; C208-F210 PolarHBondContact O-N 2.91Å |
| 209 | Q | 70.5 | Confident | 83.1 | Confident | 117 Ų | 117 | 94.7 Ų | 94.7 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | trans | -80.6 | 109.6 | 177.2 | -164.8 | 168.3 | 18.1 | 0 | 0 | 110.5 | ||||
| 210 | F | 80.5 | Confident | 83.3 | Confident | 177 Ų | 177 | 100.2 Ų | 100.2 | 78% | 0.776 | 50% | 0.497 | S | S | * | . | trans | -124.6 | 112.6 | 173.1 | -175.8 | -118 | 0 | 0 | 0 | 109.4 | C208 V212 | C208-F210 PolarHBondContact O-N 2.91Å; F210-V212 HydrophobicContact CD1-CG2 3.49Å; F210-V212 VanDerWaalsContact CD1-CG2 3.49Å; F210-V212 HydrophobicContact CE1-CB 4.49Å; F210-V212 HydrophobicContact CE1-CG2 3.01Å; F210-V212 HydrophobicContact CE2-CG2 4.35Å; F210-V212 HydrophobicContact CG-CG2 4.35Å; F210-V212 HydrophobicContact CZ-CG2 3.51Å | ||
| 211 | S | 78.3 | Confident | 83.4 | Confident | 111 Ų | 111 | 107.7 Ų | 107.7 | 78% | 0.776 | 52% | 0.524 | S | S | * | . | trans | -103.3 | 132.7 | 174.2 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 212 | V | 87.6 | Confident | 83.6 | Confident | 51 Ų | 51 | 111.2 Ų | 111.2 | 31% | 0.309 | 55% | 0.548 | S | S | . | . | trans | -128.3 | 140.7 | 176.1 | -158.8 | 0 | 0 | 0 | 0 | 108.7 | F210 F216 Q217 | F210-V212 HydrophobicContact CD1-CG2 3.49Å; F210-V212 VanDerWaalsContact CD1-CG2 3.49Å; F210-V212 HydrophobicContact CE1-CB 4.49Å; F210-V212 HydrophobicContact CE1-CG2 3.01Å; F210-V212 HydrophobicContact CE2-CG2 4.35Å; F210-V212 HydrophobicContact CG-CG2 4.35Å; F210-V212 HydrophobicContact CZ-CG2 3.51Å; V212-F216 HydrophobicContact CG1-CB 3.41Å; V212-F216 VanDerWaalsContact CG1-CB 3.41Å; V212-F216 HydrophobicContact CG1-CD2 3.76Å; V212-F216 HydrophobicContact CG1-CG 3.91Å; V212-Q217 PolarHBondContact O-NE2 3.29Å | ||
| 213 | D | 91.3 | Very high | 83.7 | Confident | 113 Ų | 113 | 112 Ų | 112 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | trans | -58.1 | 150.4 | 177.7 | -55.7 | -46 | 0 | 0 | 0 | 112 | E215 F216 Q217 | D213-E215 PolarHBondContact O-N 2.93Å; D213-E215 VanDerWaalsContact O-N 3.16Å; D213-F216 HydrophobicContact CB-CD2 3.96Å; D213-F216 HydrophobicContact CB-CE2 4.45Å; D213-F216 PolarHBondContact O-N 2.91Å; D213-F216 VanDerWaalsContact O-N 3.11Å; D213-Q217 PolarHBondContact O-N 3.3Å; D213-Q217 VanDerWaalsContact O-N 3.13Å | ||
| 214 | E | 86.6 | Confident | 83.5 | Confident | 165 Ų | 165 | 114.4 Ų | 114.4 | 77% | 0.771 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60 | -29.1 | -177.2 | -67.1 | -168.8 | 163.3 | 0 | 0 | 112.8 | Q217 K218 | E214-Q217 PolarHBondContact O-N 3.13Å; E214-K218 WeakPolarHBondContact O-CB 3.31Å; E214-K218 PolarHBondContact O-N 3.33Å |
| 215 | E | 89.4 | Confident | 83.3 | Confident | 155 Ų | 155 | 117.4 Ų | 117.4 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.1 | -46.6 | 176.1 | -175 | 174.5 | -175.8 | 0 | 0 | 111.7 | D213 K218 L219 | D213-E215 PolarHBondContact O-N 2.93Å; D213-E215 VanDerWaalsContact O-N 3.16Å; E215-K218 PolarHBondContact O-N 3.27Å; E215-L219 WeakPolarHBondContact O-CB 3.36Å; E215-L219 PolarHBondContact O-N 2.78Å |
| 216 | F | 89.9 | Confident | 83.1 | Confident | 115 Ų | 115 | 120.3 Ų | 120.3 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.3 | -35.2 | 176.2 | -66.3 | -62.5 | 0 | 0 | 0 | 112 | V212 D213 K218 L219 W220 | V212-F216 HydrophobicContact CG1-CB 3.41Å; V212-F216 VanDerWaalsContact CG1-CB 3.41Å; V212-F216 HydrophobicContact CG1-CD2 3.76Å; V212-F216 HydrophobicContact CG1-CG 3.91Å; D213-F216 HydrophobicContact CB-CD2 3.96Å; D213-F216 HydrophobicContact CB-CE2 4.45Å; D213-F216 PolarHBondContact O-N 2.91Å; D213-F216 VanDerWaalsContact O-N 3.11Å; F216-K218 VanDerWaalsContact C-N 3.3Å; F216-K218 PolarHBondContact O-N 3.32Å; F216-L219 PolarHBondContact O-N 2.87Å; F216-W220 VanDerWaalsContact O-CB 3.32Å; F216-W220 WeakPolarHBondContact O-CB 3.49Å; F216-W220 PolarHBondContact O-N 2.82Å |
| 217 | Q | 88.9 | Confident | 83.2 | Confident | 75 Ų | 75 | 121 Ų | 121 | 35% | 0.35 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.1 | -39.7 | 173.5 | -64.3 | -177.9 | 34.4 | 0 | 0 | 111.5 | V212 D213 E214 R221 | V212-Q217 PolarHBondContact O-NE2 3.29Å; D213-Q217 PolarHBondContact O-N 3.3Å; D213-Q217 VanDerWaalsContact O-N 3.13Å; E214-Q217 PolarHBondContact O-N 3.13Å; Q217-R221 WeakPolarHBondContact O-CG 3.35Å; Q217-R221 PolarHBondContact O-N 3.14Å |
| 218 | K | 90.6 | Very high | 83.4 | Confident | 161 Ų | 161 | 120.1 Ų | 120.1 | 70% | 0.7 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.8 | -43.4 | 176.5 | -171.9 | 179.4 | 179.8 | -176 | 0 | 111.1 | E214 E215 F216 R221 S222 | E214-K218 WeakPolarHBondContact O-CB 3.31Å; E214-K218 PolarHBondContact O-N 3.33Å; E215-K218 PolarHBondContact O-N 3.27Å; F216-K218 VanDerWaalsContact C-N 3.3Å; F216-K218 PolarHBondContact O-N 3.32Å; K218-R221 PolarHBondContact O-N 2.9Å; K218-S222 WeakPolarHBondContact O-CB 3.38Å; K218-S222 PolarHBondContact O-N 3.25Å |
| 219 | L | 91.1 | Very high | 84 | Confident | 105 Ų | 105 | 120.6 Ų | 120.6 | 55% | 0.55 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.8 | -47.3 | 174.9 | -175.5 | 63.7 | 0 | 0 | 0 | 110.7 | E215 F216 R221 S222 V223 | E215-L219 WeakPolarHBondContact O-CB 3.36Å; E215-L219 PolarHBondContact O-N 2.78Å; F216-L219 PolarHBondContact O-N 2.87Å; L219-R221 PolarHBondContact O-N 3.42Å; L219-S222 PolarHBondContact O-N 3.16Å; L219-S222 VanDerWaalsContact O-N 3.12Å; L219-S222 PolarHBondContact O-OG 2.74Å; L219-V223 PolarHBondContact O-N 2.84Å |
| 220 | W | 89.6 | Confident | 84.5 | Confident | 215 Ų | 215 | 123.3 Ų | 123.3 | 81% | 0.814 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57.6 | -46.6 | 177.1 | -177.2 | -98.5 | 0 | 0 | 0 | 112.4 | F216 S222 V223 | F216-W220 VanDerWaalsContact O-CB 3.32Å; F216-W220 WeakPolarHBondContact O-CB 3.49Å; F216-W220 PolarHBondContact O-N 2.82Å; W220-S222 VanDerWaalsContact C-N 3.3Å; W220-S222 PolarHBondContact O-N 3.46Å; W220-V223 PolarHBondContact O-N 2.86Å |
| 221 | R | 87.5 | Confident | 84.6 | Confident | 184 Ų | 184 | 122.7 Ų | 122.7 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.7 | -22.1 | 177.8 | -68 | 176.9 | -167.6 | 139.7 | 10.6 | 113.6 | Q217 K218 L219 V223 | Q217-R221 WeakPolarHBondContact O-CG 3.35Å; Q217-R221 PolarHBondContact O-N 3.14Å; K218-R221 PolarHBondContact O-N 2.9Å; L219-R221 PolarHBondContact O-N 3.42Å; R221-V223 VanDerWaalsContact C-N 3.28Å |
| 222 | S | 88.4 | Confident | 84.7 | Confident | 73 Ų | 73 | 123.3 Ų | 123.3 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74 | -21.6 | 179.8 | 74 | 0 | 0 | 0 | 0 | 113.1 | K218 L219 W220 T224 | K218-S222 WeakPolarHBondContact O-CB 3.38Å; K218-S222 PolarHBondContact O-N 3.25Å; L219-S222 PolarHBondContact O-N 3.16Å; L219-S222 VanDerWaalsContact O-N 3.12Å; L219-S222 PolarHBondContact O-OG 2.74Å; W220-S222 VanDerWaalsContact C-N 3.3Å; W220-S222 PolarHBondContact O-N 3.46Å; S222-T224 PolarHBondContact O-N 3.27Å |
| 223 | V | 87 | Confident | 84.6 | Confident | 88 Ų | 88 | 123.3 Ų | 123.3 | 53% | 0.533 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -77.3 | 104.9 | 175.3 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | L219 W220 R221 V225 | L219-V223 PolarHBondContact O-N 2.84Å; W220-V223 PolarHBondContact O-N 2.86Å; R221-V223 VanDerWaalsContact C-N 3.28Å; V223-V225 HydrophobicContact CG1-CG1 4Å; V223-V225 PolarHBondContact O-N 2.88Å; V223-V225 VanDerWaalsContact O-N 3.15Å |
| 224 | T | 81.9 | Confident | 84.1 | Confident | 96 Ų | 96 | 120.6 Ų | 120.6 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | trans | -77.6 | 96.1 | 179.8 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | S222 | S222-T224 PolarHBondContact O-N 3.27Š| ||
| 225 | V | 79.2 | Confident | 84 | Confident | 90 Ų | 90 | 117.2 Ų | 117.2 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | trans | -100.7 | -9.5 | 175.1 | -63 | 0 | 0 | 0 | 0 | 113.2 | V223 S227 | V223-V225 HydrophobicContact CG1-CG1 4Å; V223-V225 PolarHBondContact O-N 2.88Å; V223-V225 VanDerWaalsContact O-N 3.15Å; V225-S227 VanDerWaalsContact C-N 3.34Å; V225-S227 PolarHBondContact O-N 3.46Å | ||
| 226 | D | 73.8 | Confident | 83.7 | Confident | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -27 | -176.7 | 59.8 | -9.7 | 0 | 0 | 0 | 114.1 | ||
| 227 | S | 74.9 | Confident | 83.5 | Confident | 108 Ų | 108 | 113.6 Ų | 113.6 | 76% | 0.755 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 7.3 | -176.3 | -49.8 | 0 | 0 | 0 | 0 | 113.1 | V225 | V225-S227 VanDerWaalsContact C-N 3.34Å; V225-S227 PolarHBondContact O-N 3.46Å |
| 228 | M | 76 | Confident | 83.3 | Confident | 80 Ų | 80 | 115.6 Ų | 115.6 | 39% | 0.394 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -109.1 | 140.4 | -177.9 | -65.9 | -162.5 | 71.9 | 0 | 0 | 111.4 | K232 I233 | M228-K232 HydrophobicContact CE-CD 3.81Å; M228-K232 HydrophobicContact CE-CG 3.98Å; M228-I233 HydrophobicContact CB-CD1 4.06Å; M228-I233 HydrophobicContact CB-CG1 4Å |
| 229 | D | 81.1 | Confident | 83 | Confident | 120 Ų | 120 | 116.9 Ų | 116.9 | 64% | 0.642 | 57% | 0.565 | S | S | * | * | trans | -69.4 | 138.4 | 174 | -61.3 | -46 | 0 | 0 | 0 | 111.1 | E231 K232 I233 | D229-E231 PolarHBondContact O-N 3.06Å; D229-K232 HydrophobicContact CB-CB 4.38Å; D229-K232 WeakPolarHBondContact O-CB 3.35Å; D229-K232 PolarHBondContact O-N 2.93Å; D229-I233 PolarHBondContact O-N 2.96Å; D229-I233 VanDerWaalsContact O-N 3.07Å | ||
| 230 | E | 81.3 | Confident | 82.6 | Confident | 173 Ų | 173 | 117.5 Ų | 117.5 | 81% | 0.808 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -52.9 | -38.3 | 177.5 | -105.6 | 174.8 | 169.6 | 0 | 0 | 112.5 | K232 I233 E234 | E230-K232 PolarHBondContact O-N 3.12Å; E230-I233 PolarHBondContact O-N 3.13Å; E230-E234 PolarHBondContact O-N 2.97Å |
| 231 | E | 81.9 | Confident | 82.1 | Confident | 164 Ų | 164 | 110.4 Ų | 110.4 | 77% | 0.766 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.8 | -38.7 | 176.8 | -73.6 | -176.5 | 158.4 | 0 | 0 | 112.5 | D229 E234 E235 | D229-E231 PolarHBondContact O-N 3.06Å; E231-E234 PolarHBondContact O-N 3.41Å; E231-E235 WeakPolarHBondContact O-CB 3.46Å; E231-E235 PolarHBondContact O-N 3.41Å |
| 232 | K | 81.8 | Confident | 81.7 | Confident | 125 Ų | 125 | 106.3 Ų | 106.3 | 54% | 0.543 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.5 | -33.7 | 179 | -168.7 | 174.4 | -177.9 | 175.2 | 0 | 111.3 | M228 D229 E230 Y236 | M228-K232 HydrophobicContact CE-CD 3.81Å; M228-K232 HydrophobicContact CE-CG 3.98Å; D229-K232 HydrophobicContact CB-CB 4.38Å; D229-K232 WeakPolarHBondContact O-CB 3.35Å; D229-K232 PolarHBondContact O-N 2.93Å; E230-K232 PolarHBondContact O-N 3.12Å; K232-Y236 WeakPolarHBondContact O-CB 3.09Å; K232-Y236 PolarHBondContact O-N 2.89Å |
| 233 | I | 84.4 | Confident | 80.5 | Confident | 50 Ų | 50 | 107.2 Ų | 107.2 | 26% | 0.256 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -46.1 | 172 | -61.7 | 169.5 | 0 | 0 | 0 | 109.5 | M228 D229 E230 E235 Y236 L237 | M228-I233 HydrophobicContact CB-CD1 4.06Å; M228-I233 HydrophobicContact CB-CG1 4Å; D229-I233 PolarHBondContact O-N 2.96Å; D229-I233 VanDerWaalsContact O-N 3.07Å; E230-I233 PolarHBondContact O-N 3.13Å; I233-E235 PolarHBondContact O-N 3Å; I233-Y236 PolarHBondContact O-N 3.21Å; I233-L237 HydrophobicContact CG2-CD1 4.01Å; I233-L237 HydrophobicContact CG2-CG 4.37Å; I233-L237 WeakPolarHBondContact O-CB 3.18Å; I233-L237 WeakPolarHBondContact O-CG 3.39Å; I233-L237 PolarHBondContact O-N 2.91Å |
| 234 | E | 81.6 | Confident | 79 | Confident | 56 Ų | 56 | 105.5 Ų | 105.5 | 26% | 0.262 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 177.7 | -168.8 | -175.7 | 162.5 | 0 | 0 | 112.5 | E230 E231 L237 K238 | E230-E234 PolarHBondContact O-N 2.97Å; E231-E234 PolarHBondContact O-N 3.41Å; E234-L237 PolarHBondContact O-N 2.92Å; E234-K238 HydrophobicContact CG-CD 4.49Å; E234-K238 WeakPolarHBondContact O-CB 3.34Å; E234-K238 WeakPolarHBondContact O-CG 3.09Å; E234-K238 PolarHBondContact O-N 3.3Å; E234-K238 WeakPolarHBondContact OE1-CE 3.45Å; E234-K238 IonicContact OE1-NZ 2.65Å; E234-K238 PolarHBondContact OE1-NZ 3.4Å |
| 235 | E | 84.3 | Confident | 77.7 | Confident | 95 Ų | 95 | 108.1 Ų | 108.1 | 44% | 0.444 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -41.3 | 175.9 | -166.3 | -171.9 | 174.3 | 0 | 0 | 111.7 | E231 I233 K238 R239 | E231-E235 WeakPolarHBondContact O-CB 3.46Å; E231-E235 PolarHBondContact O-N 3.41Å; I233-E235 PolarHBondContact O-N 3Å; E235-K238 PolarHBondContact O-N 3.49Å; E235-R239 WeakPolarHBondContact O-CB 3.44Å; E235-R239 WeakPolarHBondContact O-CG 3.13Å; E235-R239 PolarHBondContact O-N 3.04Å; E235-R239 IonicContact OE1-CZ 3.33Å; E235-R239 IonicContact OE1-NE 3.17Å; E235-R239 PolarHBondContact OE1-NE 3.13Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 3.23Å |
| 236 | Y | 83.2 | Confident | 76.6 | Confident | 142 Ų | 142 | 111.4 Ų | 111.4 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.8 | -44.1 | 174.7 | -179.2 | -97.9 | 0 | 0 | 0 | 111.7 | K232 I233 R239 Q240 | K232-Y236 WeakPolarHBondContact O-CB 3.09Å; K232-Y236 PolarHBondContact O-N 2.89Å; I233-Y236 PolarHBondContact O-N 3.21Å; Y236-R239 PolarHBondContact O-N 3.45Å; Y236-Q240 HydrophobicContact CD1-CG 4.44Å; Y236-Q240 HydrophobicContact CE1-CG 4.08Å; Y236-Q240 HydrophobicContact CE2-CG 4.38Å; Y236-Q240 WeakPolarHBondContact O-CG 3.44Å; Y236-Q240 PolarHBondContact O-N 3.21Å |
| 237 | L | 85.6 | Confident | 75.4 | Confident | 52 Ų | 52 | 111.3 Ų | 111.3 | 27% | 0.272 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.2 | -46.4 | 175.2 | -70.6 | 171.9 | 0 | 0 | 0 | 111.3 | I233 E234 R239 Q240 G241 I242 | I233-L237 HydrophobicContact CG2-CD1 4.01Å; I233-L237 HydrophobicContact CG2-CG 4.37Å; I233-L237 WeakPolarHBondContact O-CB 3.18Å; I233-L237 WeakPolarHBondContact O-CG 3.39Å; I233-L237 PolarHBondContact O-N 2.91Å; E234-L237 PolarHBondContact O-N 2.92Å; L237-R239 PolarHBondContact O-N 3.06Å; L237-Q240 CarbonylContact O-C 3.53Å; L237-Q240 PolarHBondContact O-N 2.89Å; L237-G241 PolarHBondContact O-N 2.86Å; L237-I242 CarbonylContact C-O 3.54Å; L237-I242 VanDerWaalsContact C-O 3.24Å; L237-I242 HydrophobicContact CB-CG1 4.08Å; L237-I242 WeakPolarHBondContact CB-O 3.37Å; L237-I242 HydrophobicContact CD2-CD1 3.28Å; L237-I242 HydrophobicContact CD2-CG1 3.69Å; L237-I242 CarbonylContact O-C 3.59Å; L237-I242 WeakPolarHBondContact O-CG1 3.33Å; L237-I242 PolarHBondContact O-N 3.03Å; L237-I242 VanDerWaalsContact O-O 3.07Å |
| 238 | K | 83.9 | Confident | 74.1 | Confident | 116 Ų | 116 | 110.5 Ų | 110.5 | 50% | 0.504 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.7 | -41.5 | 175.9 | -76.4 | 177.4 | -175.2 | 164.7 | 0 | 112.7 | E234 E235 Q240 G241 | E234-K238 HydrophobicContact CG-CD 4.49Å; E234-K238 WeakPolarHBondContact O-CB 3.34Å; E234-K238 WeakPolarHBondContact O-CG 3.09Å; E234-K238 PolarHBondContact O-N 3.3Å; E234-K238 WeakPolarHBondContact OE1-CE 3.45Å; E234-K238 IonicContact OE1-NZ 2.65Å; E234-K238 PolarHBondContact OE1-NZ 3.4Å; E235-K238 PolarHBondContact O-N 3.49Å; K238-Q240 VanDerWaalsContact C-N 3.29Å; K238-Q240 PolarHBondContact O-N 3.28Å; K238-G241 PolarHBondContact O-N 3.26Å |
| 239 | R | 84.3 | Confident | 72.8 | Confident | 188 Ų | 188 | 109 Ų | 109 | 71% | 0.709 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.5 | -33.8 | 175.7 | -77.6 | 176.4 | -170.2 | -120.2 | 8.7 | 112.3 | E235 Y236 L237 G241 | E235-R239 WeakPolarHBondContact O-CB 3.44Å; E235-R239 WeakPolarHBondContact O-CG 3.13Å; E235-R239 PolarHBondContact O-N 3.04Å; E235-R239 IonicContact OE1-CZ 3.33Å; E235-R239 IonicContact OE1-NE 3.17Å; E235-R239 PolarHBondContact OE1-NE 3.13Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 3.23Å; Y236-R239 PolarHBondContact O-N 3.45Å; L237-R239 PolarHBondContact O-N 3.06Å; R239-G241 PolarHBondContact O-N 2.57Å |
| 240 | Q | 82.3 | Confident | 71.6 | Confident | 118 Ų | 118 | 109.3 Ų | 109.3 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 3.7 | 174.4 | -65.3 | -61.1 | -33.6 | 0 | 0 | 113.2 | Y236 L237 K238 I242 | Y236-Q240 HydrophobicContact CD1-CG 4.44Å; Y236-Q240 HydrophobicContact CE1-CG 4.08Å; Y236-Q240 HydrophobicContact CE2-CG 4.38Å; Y236-Q240 WeakPolarHBondContact O-CG 3.44Å; Y236-Q240 PolarHBondContact O-N 3.21Å; L237-Q240 CarbonylContact O-C 3.53Å; L237-Q240 PolarHBondContact O-N 2.89Å; K238-Q240 VanDerWaalsContact C-N 3.29Å; K238-Q240 PolarHBondContact O-N 3.28Å; Q240-I242 HydrophobicContact CB-CD1 4.38Å; Q240-I242 HydrophobicContact CB-CG1 4.07Å; Q240-I242 PolarHBondContact O-N 3.01Å |
| 241 | G | 79.7 | Confident | 70.1 | Confident | 67 Ų | 67 | 108.5 Ų | 108.5 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.5 | 4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L237 K238 R239 S243 | L237-G241 PolarHBondContact O-N 2.86Å; K238-G241 PolarHBondContact O-N 3.26Å; R239-G241 PolarHBondContact O-N 2.57Å; G241-S243 PolarHBondContact O-N 3.2Å |
| 242 | I | 79.7 | Confident | 68.7 | Low | 98 Ų | 98 | 110.5 Ų | 110.5 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | trans | -91.8 | 91.4 | 172.9 | 46.1 | -177.6 | 0 | 0 | 0 | 108.2 | L237 Q240 S244 | L237-I242 CarbonylContact C-O 3.54Å; L237-I242 VanDerWaalsContact C-O 3.24Å; L237-I242 HydrophobicContact CB-CG1 4.08Å; L237-I242 WeakPolarHBondContact CB-O 3.37Å; L237-I242 HydrophobicContact CD2-CD1 3.28Å; L237-I242 HydrophobicContact CD2-CG1 3.69Å; L237-I242 CarbonylContact O-C 3.59Å; L237-I242 WeakPolarHBondContact O-CG1 3.33Å; L237-I242 PolarHBondContact O-N 3.03Å; L237-I242 VanDerWaalsContact O-O 3.07Å; Q240-I242 HydrophobicContact CB-CD1 4.38Å; Q240-I242 HydrophobicContact CB-CG1 4.07Å; Q240-I242 PolarHBondContact O-N 3.01Å; I242-S244 PolarHBondContact O-N 3.49Å | ||
| 243 | S | 63.8 | Low | 67.3 | Low | 92 Ų | 92 | 110.8 Ų | 110.8 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | trans | -69.2 | 124.4 | 176.2 | -163.4 | 0 | 0 | 0 | 0 | 109.6 | G241 M245 | G241-S243 PolarHBondContact O-N 3.2Å; S243-M245 PolarHBondContact O-N 2.94Å; S243-M245 VanDerWaalsContact O-N 3.09Å | ||
| 244 | S | 53.8 | Low | 65.8 | Low | 51 Ų | 51 | 112 Ų | 112 | 36% | 0.357 | 60% | 0.597 | S | S | . | * | trans | -49 | 116.7 | 165.8 | 170.7 | 0 | 0 | 0 | 0 | 108.7 | I242 Q246 | I242-S244 PolarHBondContact O-N 3.49Å; S244-Q246 PolarHBondContact O-N 3.39Å | ||
| 245 | M | 55.4 | Low | 64.2 | Low | 151 Ų | 151 | 115 Ų | 115 | 74% | 0.744 | 62% | 0.622 | S | S | * | * | trans | -75.1 | 80.6 | 179.9 | -169.5 | 170 | 69.4 | 0 | 0 | 108.7 | S243 E247 | S243-M245 PolarHBondContact O-N 2.94Å; S243-M245 VanDerWaalsContact O-N 3.09Å; M245-E247 PolarHBondContact O-N 3.14Å | ||
| 246 | Q | 55.3 | Low | 62.8 | Low | 159 Ų | 159 | 117.6 Ų | 117.6 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | trans | -80.5 | 11.9 | 170 | -80.4 | -170.5 | -17.6 | 0 | 0 | 113.3 | S244 | S244-Q246 PolarHBondContact O-N 3.39Š| ||
| 247 | E | 48.6 | Very low | 61.5 | Low | 132 Ų | 132 | 119.2 Ų | 119.2 | 62% | 0.617 | 65% | 0.65 | S | S | * | * | trans | -135.8 | 59.9 | -177.3 | -154.4 | 167 | -169.9 | 0 | 0 | 113.6 | M245 K251 | M245-E247 PolarHBondContact O-N 3.14Å; E247-K251 WeakPolarHBondContact OE1-CE 3.41Å; E247-K251 IonicContact OE1-NZ 3.65Å | ||
| 248 | S | 47.9 | Very low | 60 | Low | 92 Ų | 92 | 128.3 Ų | 128.3 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | trans | -120.8 | 23.6 | 153.6 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 249 | G | 49.6 | Very low | 58.5 | Low | 49 Ų | 49 | 134.4 Ų | 134.4 | 51% | 0.505 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -76.2 | 136.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | K251 | G249-K251 PolarHBondContact O-N 3.33Š|
| 250 | P | 55.9 | Low | 56.9 | Low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | trans | -55.4 | 115.1 | 173.8 | 23.1 | -32.1 | 0 | 0 | 0 | 107.8 | K252 | P250-K252 PolarHBondContact O-N 3.36Š| ||
| 251 | K | 48.9 | Very low | 55.5 | Low | 157 Ų | 157 | 138.8 Ų | 138.8 | 68% | 0.683 | 72% | 0.723 | S | S | * | * | trans | -43.9 | 114.3 | 171.3 | -83.5 | 179.2 | 175.1 | 174.9 | 0 | 106.7 | E247 G249 V253 | E247-K251 WeakPolarHBondContact OE1-CE 3.41Å; E247-K251 IonicContact OE1-NZ 3.65Å; G249-K251 PolarHBondContact O-N 3.33Å; K251-V253 PolarHBondContact O-N 3.48Å | ||
| 252 | K | 52.1 | Low | 53.8 | Low | 206 Ų | 206 | 142 Ų | 142 | 90% | 0.896 | 73% | 0.732 | S | S | * | * | trans | -57.3 | 99.4 | 171.7 | -75.4 | -173.7 | 179.1 | 179 | 0 | 105.7 | P250 A254 | P250-K252 PolarHBondContact O-N 3.36Å; K252-A254 PolarHBondContact O-N 2.96Å | ||
| 253 | V | 52.4 | Low | 52.3 | Low | 130 Ų | 130 | 141.8 Ų | 141.8 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | trans | -54.5 | 115.2 | 172.4 | -159.3 | 0 | 0 | 0 | 0 | 104.3 | K251 | K251-V253 PolarHBondContact O-N 3.48Š| ||
| 254 | A | 53.5 | Low | 51.8 | Low | 75 Ų | 75 | 142.4 Ų | 142.4 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | trans | -47.5 | 137.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | K252 I256 | K252-A254 PolarHBondContact O-N 2.96Å; A254-I256 PolarHBondContact O-N 3.4Å | ||
| 255 | P | 47.4 | Very low | 51.8 | Low | 121 Ų | 121 | 149.3 Ų | 149.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -61 | 111.9 | -177.8 | 24.8 | -30.8 | 0 | 0 | 0 | 107.2 | Q257 | P255-Q257 PolarHBondContact O-N 3.06Š| ||
| 256 | I | 55.8 | Low | 51.8 | Low | 148 Ų | 148 | 151.3 Ų | 151.3 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -50.5 | 110 | 170.4 | -75.5 | 164.2 | 0 | 0 | 0 | 105.9 | A254 R258 | A254-I256 PolarHBondContact O-N 3.4Å; I256-R258 PolarHBondContact O-N 2.98Å | ||
| 257 | Q | 55.4 | Low | 51.9 | Low | 177 Ų | 177 | 153.4 Ų | 153.4 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -52.3 | 115.4 | 174.1 | -73.1 | -179.5 | -12.9 | 0 | 0 | 106.8 | P255 R259 | P255-Q257 PolarHBondContact O-N 3.06Å; Q257-R259 VanDerWaalsContact C-N 3.3Å; Q257-R259 PolarHBondContact O-N 2.69Å | ||
| 258 | R | 54.7 | Low | 52.4 | Low | 243 Ų | 243 | 157.3 Ų | 157.3 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -55.3 | 95.9 | 175.3 | -77.3 | -179.7 | 151.5 | -165.2 | -5.7 | 108.3 | I256 K260 | I256-R258 PolarHBondContact O-N 2.98Å; R258-K260 PolarHBondContact O-N 3.42Å | ||
| 259 | R | 51.2 | Low | 52.8 | Low | 243 Ų | 243 | 164.8 Ų | 164.8 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -61.6 | 130.4 | 167.5 | -96.3 | 179.5 | 143.9 | 178.9 | -6.1 | 107.9 | Q257 | Q257-R259 VanDerWaalsContact C-N 3.3Å; Q257-R259 PolarHBondContact O-N 2.69Å | ||
| 260 | K | 52.1 | Low | 53.3 | Low | 205 Ų | 205 | 170.3 Ų | 170.3 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -51.1 | 144.4 | 179.5 | -68.1 | 176.4 | 175.8 | 177.9 | 0 | 111.2 | R258 | R258-K260 PolarHBondContact O-N 3.42Š| ||
| 261 | K | 52.3 | Low | 53.7 | Low | 194 Ų | 194 | 173.9 Ų | 173.9 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -18.2 | 129.2 | 176.1 | -63.7 | 175.7 | 177.2 | 179.7 | 0 | 115.4 | A263 | K261-A263 PolarHBondContact O-N 2.92Š| ||
| 262 | P | 44.7 | Very low | 54.4 | Low | 134 Ų | 134 | 172.1 Ų | 172.1 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -74.3 | 118.6 | 169.7 | 29.3 | -29.5 | 0 | 0 | 0 | 110 | ||||
| 263 | A | 48.2 | Very low | 54.6 | Low | 93 Ų | 93 | 170 Ų | 170 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -67.4 | 132.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | K261 | K261-A263 PolarHBondContact O-N 2.92Š| ||
| 264 | S | 51.8 | Low | 54.9 | Low | 105 Ų | 105 | 168.5 Ų | 168.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | 54.7 | 100.9 | 160.5 | -171.6 | 0 | 0 | 0 | 0 | 116.6 | K266 | S264-K266 VanDerWaalsContact C-N 3.34Å; S264-K266 PolarHBondContact O-N 2.72Å | ||
| 265 | Q | 55.1 | Low | 55.5 | Low | 197 Ų | 197 | 173 Ų | 173 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -61.5 | 93.2 | 163.3 | -74.1 | -172.2 | -14.8 | 0 | 0 | 109.9 | K267 | Q265-K267 PolarHBondContact O-N 3.47Š| ||
| 266 | K | 54.3 | Low | 56.4 | Low | 193 Ų | 193 | 174.3 Ų | 174.3 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -65.2 | 113.5 | 160.5 | -90.7 | -178.3 | 175.5 | 176.7 | 0 | 108 | S264 R268 | S264-K266 VanDerWaalsContact C-N 3.34Å; S264-K266 PolarHBondContact O-N 2.72Å; K266-R268 PolarHBondContact O-N 3.25Å | ||
| 267 | K | 58.3 | Low | 56.8 | Low | 202 Ų | 202 | 170.8 Ų | 170.8 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -46.2 | 114.4 | 171.7 | -74.9 | -177.7 | 176 | -176.4 | 0 | 109.3 | Q265 R269 | Q265-K267 PolarHBondContact O-N 3.47Å; K267-R269 PolarHBondContact O-N 2.95Å; K267-R269 VanDerWaalsContact O-N 3.12Å | ||
| 268 | R | 57.8 | Low | 57.1 | Low | 214 Ų | 214 | 166.1 Ų | 166.1 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -59.6 | 113.5 | 168.1 | -89.1 | 178.6 | 151.4 | -176.4 | -7.2 | 107.4 | K266 F270 | K266-R268 PolarHBondContact O-N 3.25Å; R268-F270 HydrophobicContact CB-CD2 4.34Å; R268-F270 HydrophobicContact CB-CE2 4.13Å; R268-F270 PolarHBondContact O-N 3.02Å | ||
| 269 | R | 56.8 | Low | 57.4 | Low | 250 Ų | 250 | 158.5 Ų | 158.5 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | trans | -67.5 | 97.4 | 166.1 | -80.7 | -177.4 | 164.7 | -164 | -5.2 | 107.5 | K267 | K267-R269 PolarHBondContact O-N 2.95Å; K267-R269 VanDerWaalsContact O-N 3.12Å | ||
| 270 | F | 61.3 | Low | 58.1 | Low | 164 Ų | 164 | 152.7 Ų | 152.7 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -67.8 | 133.4 | 163.1 | -79.5 | -88 | 0 | 0 | 0 | 107.9 | R268 T272 | R268-F270 HydrophobicContact CB-CD2 4.34Å; R268-F270 HydrophobicContact CB-CE2 4.13Å; R268-F270 PolarHBondContact O-N 3.02Å; F270-T272 PolarHBondContact O-N 2.91Å | ||
| 271 | K | 64.3 | Low | 58.6 | Low | 200 Ų | 200 | 148.3 Ų | 148.3 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | trans | -74.8 | 99.8 | 179.1 | -164.3 | 153.1 | -178.1 | 173.7 | 0 | 107.7 | H273 | K271-H273 PolarHBondContact O-N 3.43Å; K271-H273 VanDerWaalsContact O-N 3.12Å | ||
| 272 | T | 62.7 | Low | 59.2 | Low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 98 | 174.8 | 47 | 0 | 0 | 0 | 0 | 108.4 | F270 | F270-T272 PolarHBondContact O-N 2.91Š| ||
| 273 | H | 55.8 | Low | 60 | Low | 162 Ų | 162 | 147.2 Ų | 147.2 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -76.7 | 130.5 | 158.2 | -124.2 | -87 | 0 | 0 | 0 | 105.9 | K271 | K271-H273 PolarHBondContact O-N 3.43Å; K271-H273 VanDerWaalsContact O-N 3.12Å |
| 274 | N | 59.1 | Low | 60.5 | Low | 98 Ų | 98 | 150.1 Ų | 150.1 | 52% | 0.524 | 74% | 0.738 | S | S | . | * | trans | 105.1 | 43.6 | -178.2 | -45.8 | -29.7 | 0 | 0 | 0 | 116.3 | H276 L277 | N274-H276 PolarHBondContact O-N 3.47Å; N274-L277 PolarHBondContact O-N 3.01Å | ||
| 275 | E | 66.3 | Low | 61 | Low | 171 Ų | 171 | 149.3 Ų | 149.3 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -59.2 | -24.9 | 171.7 | -167.4 | 171.7 | 179.4 | 0 | 0 | 113.6 | L277 A278 | E275-L277 VanDerWaalsContact C-N 3.27Å; E275-L277 PolarHBondContact O-N 3.02Å; E275-A278 WeakPolarHBondContact O-CB 3.41Å; E275-A278 PolarHBondContact O-N 2.82Å |
| 276 | H | 66.1 | Low | 61.1 | Low | 147 Ų | 147 | 146.9 Ų | 146.9 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -74.8 | -8 | -179.2 | 63.1 | -84.6 | 0 | 0 | 0 | 114.9 | N274 | N274-H276 PolarHBondContact O-N 3.47Š|
| 277 | L | 64.1 | Low | 61.1 | Low | 74 Ų | 74 | 143.6 Ų | 143.6 | 39% | 0.387 | 72% | 0.716 | S | S | . | * | G | 310 helix | trans | -108.1 | 3.5 | 177.4 | -64.3 | 175.3 | 0 | 0 | 0 | 113.3 | N274 E275 G279 V280 L281 | N274-L277 PolarHBondContact O-N 3.01Å; E275-L277 VanDerWaalsContact C-N 3.27Å; E275-L277 PolarHBondContact O-N 3.02Å; L277-G279 PolarHBondContact O-N 3.19Å; L277-G279 VanDerWaalsContact O-N 3.12Å; L277-V280 PolarHBondContact O-N 3.01Å; L277-L281 HydrophobicContact CB-CD1 4.02Å; L277-L281 PolarHBondContact O-N 2.97Å |
| 278 | A | 61.3 | Low | 60.7 | Low | 80 Ų | 80 | 140.1 Ų | 140.1 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -21.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | E275 | E275-A278 WeakPolarHBondContact O-CB 3.41Å; E275-A278 PolarHBondContact O-N 2.82Å |
| 279 | G | 62.6 | Low | 60.4 | Low | 83 Ų | 83 | 135.3 Ų | 135.3 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -5.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L277 | L277-G279 PolarHBondContact O-N 3.19Å; L277-G279 VanDerWaalsContact O-N 3.12Å |
| 280 | V | 65.9 | Low | 59.9 | Low | 120 Ų | 120 | 126.6 Ų | 126.6 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -31.8 | -177.2 | -179 | 0 | 0 | 0 | 0 | 111.3 | L277 | L277-V280 PolarHBondContact O-N 3.01Š|
| 281 | L | 62.1 | Low | 58.7 | Low | 113 Ų | 113 | 132.3 Ų | 132.3 | 59% | 0.592 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -82.5 | 126.3 | 177 | -90 | 78.8 | 0 | 0 | 0 | 111.1 | L277 | L277-L281 HydrophobicContact CB-CD1 4.02Å; L277-L281 PolarHBondContact O-N 2.97Å |
| 282 | K | 65.2 | Low | 58.5 | Low | 168 Ų | 168 | 129 Ų | 129 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | trans | -84.5 | 113 | 170.2 | -126.2 | 167.8 | -178.1 | 171.1 | 0 | 108.3 | Y284 | K282-Y284 HydrophobicContact CB-CD2 4.46Å; K282-Y284 HydrophobicContact CB-CE2 3.81Å; K282-Y284 VanDerWaalsContact O-CD2 3.24Å; K282-Y284 WeakPolarHBondContact O-CD2 3.39Å | ||
| 283 | D | 59.9 | Low | 58.2 | Low | 137 Ų | 137 | 129.4 Ų | 129.4 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | -79.1 | 121.3 | 176.4 | -77.3 | -23.3 | 0 | 0 | 0 | 110.5 | ||||
| 284 | Y | 60 | Low | 58.4 | Low | 155 Ų | 155 | 127.6 Ų | 127.6 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | trans | -102.2 | 16 | 178.7 | -72.1 | -88.8 | 0 | 0 | 0 | 112.9 | K282 D286 I287 | K282-Y284 HydrophobicContact CB-CD2 4.46Å; K282-Y284 HydrophobicContact CB-CE2 3.81Å; K282-Y284 VanDerWaalsContact O-CD2 3.24Å; K282-Y284 WeakPolarHBondContact O-CD2 3.39Å; Y284-D286 PolarHBondContact O-N 3.18Å; Y284-D286 VanDerWaalsContact O-N 3.13Å; Y284-I287 HydrophobicContact CD1-CD1 3.56Å; Y284-I287 HydrophobicContact CE1-CD1 4.23Å; Y284-I287 PolarHBondContact O-N 3.09Å | ||
| 285 | S | 62.4 | Low | 58.3 | Low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -14.3 | -177.7 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 286 | D | 57.1 | Low | 57.8 | Low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -4 | -178.7 | -68.4 | -19.6 | 0 | 0 | 0 | 114 | Y284 | Y284-D286 PolarHBondContact O-N 3.18Å; Y284-D286 VanDerWaalsContact O-N 3.13Å |
| 287 | I | 54.3 | Low | 57.3 | Low | 124 Ų | 124 | 125.4 Ų | 125.4 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -10.4 | -173.3 | -80.2 | 151.4 | 0 | 0 | 0 | 114.5 | Y284 | Y284-I287 HydrophobicContact CD1-CD1 3.56Å; Y284-I287 HydrophobicContact CE1-CD1 4.23Å; Y284-I287 PolarHBondContact O-N 3.09Å |
| 288 | T | 50.3 | Low | 56.8 | Low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 15.1 | -177 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 289 | S | 50.9 | Low | 56.4 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -108.3 | 62.9 | 176.2 | -39.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 290 | G | 45.9 | Very low | 55.9 | Low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | -175.1 | 61.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 291 | K | 37.2 | Very low | 55 | Low | 285 Ų | 285 | 138.5 Ų | 138.5 | 100% | 1.239 | 75% | 0.746 | S | S | * | * | trans | -179.1 | 0 | 140.2 | -104.3 | 173.1 | -178.4 | 177.9 | 0 | 110.4 |
Retrieved 291 of 291 residues in 339.9 ms
(Link to these results)