| 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 | 32.8 | Very low | 36.4 | Very low | 242 Ų | 242 | 145.1 Ų | 145.1 | 100% | 1.192 | 78% | 0.784 | S | S | * | * | 0 | 94.6 | 0 | -175.6 | 174.8 | 179.5 | 0 | 0 | 107 | |||||
| 2 | V | 28 | Very low | 37.1 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -86.1 | 119 | -171.2 | -177.6 | 0 | 0 | 0 | 0 | 109 | L4 | V2-L4 PolarHBondContact O-N 3.5Š| ||
| 3 | K | 35.1 | Very low | 38.1 | Very low | 192 Ų | 192 | 147 Ų | 147 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -81.2 | 108 | 167.8 | -84.2 | -179.2 | 173.3 | 178.1 | 0 | 107.8 | S5 | K3-S5 VanDerWaalsContact C-N 3.26Å; K3-S5 PolarHBondContact O-N 2.84Å | ||
| 4 | L | 30.8 | Very low | 38.7 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -81.2 | 76.7 | 170.8 | -160.4 | 79.1 | 0 | 0 | 0 | 109.2 | V2 I6 | V2-L4 PolarHBondContact O-N 3.5Å; L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 HydrophobicContact CD2-CD1 4.08Å; L4-I6 HydrophobicContact CD2-CG1 4.11Å; L4-I6 HydrophobicContact CG-CG1 4.14Å; L4-I6 PolarHBondContact O-N 3.16Å; L4-I6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | S | 35.7 | Very low | 39.7 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -76 | 89.1 | 166.4 | 49 | 0 | 0 | 0 | 0 | 108.4 | K3 V7 | K3-S5 VanDerWaalsContact C-N 3.26Å; K3-S5 PolarHBondContact O-N 2.84Å; S5-V7 VanDerWaalsContact C-N 3.3Å; S5-V7 PolarHBondContact O-N 3.17Å | ||
| 6 | I | 38.3 | Very low | 40.9 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 60% | 0.6 | 76% | 0.763 | S | S | * | * | trans | -66.4 | 99.3 | 164.1 | -60.2 | 173.9 | 0 | 0 | 0 | 105.9 | L4 L8 | L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 HydrophobicContact CD2-CD1 4.08Å; L4-I6 HydrophobicContact CD2-CG1 4.11Å; L4-I6 HydrophobicContact CG-CG1 4.14Å; L4-I6 PolarHBondContact O-N 3.16Å; L4-I6 VanDerWaalsContact O-N 3.1Å; I6-L8 HydrophobicContact CG2-CD1 4.19Å; I6-L8 PolarHBondContact O-N 3.1Å; I6-L8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | V | 34.3 | Very low | 41.6 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | trans | -66.6 | 103 | 170.2 | 174.5 | 0 | 0 | 0 | 0 | 106.2 | S5 T9 | S5-V7 VanDerWaalsContact C-N 3.3Å; S5-V7 PolarHBondContact O-N 3.17Å; V7-T9 PolarHBondContact O-N 3.22Å | ||
| 8 | L | 38.4 | Very low | 43 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | -66.7 | 105.5 | 165.9 | -94.4 | 80.4 | 0 | 0 | 0 | 107.6 | I6 | I6-L8 HydrophobicContact CG2-CD1 4.19Å; I6-L8 PolarHBondContact O-N 3.1Å; I6-L8 VanDerWaalsContact O-N 3.08Å | ||
| 9 | T | 39.3 | Very low | 43.9 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | trans | -61.5 | 136.9 | 170.8 | 4.4 | 0 | 0 | 0 | 0 | 109.8 | V7 Q11 | V7-T9 PolarHBondContact O-N 3.22Å; T9-Q11 VanDerWaalsContact C-N 3.3Å; T9-Q11 PolarHBondContact O-N 2.89Å | ||
| 10 | P | 43.9 | Very low | 44.9 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 84% | 0.844 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 64.6 | -169.6 | 35.7 | -37.5 | 0 | 0 | 0 | 112 | ||
| 11 | Q | 44.1 | Very low | 45.8 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 4.8 | 176 | -73.9 | -153.9 | -0.8 | 0 | 0 | 115.6 | T9 L13 | T9-Q11 VanDerWaalsContact C-N 3.3Å; T9-Q11 PolarHBondContact O-N 2.89Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.21Å |
| 12 | F | 44.7 | Very low | 47.7 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | trans | -94.3 | 60.8 | 173.8 | -61.6 | -71.8 | 0 | 0 | 0 | 112 | L20 | F12-L20 HydrophobicContact CB-CD1 3.8Å; F12-L20 HydrophobicContact CD1-CD1 4.15Å; F12-L20 HydrophobicContact CG-CD1 4.06Å | ||
| 13 | L | 50.3 | Low | 49.5 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 95% | 0.948 | 66% | 0.66 | S | S | * | * | trans | -99 | 71.6 | 168.1 | -155.8 | 93.4 | 0 | 0 | 0 | 109.3 | Q11 | Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.21Å | ||
| 14 | S | 46.4 | Very low | 51 | Low | 83 Ų | 83 | 121.5 Ų | 121.5 | 58% | 0.58 | 65% | 0.647 | S | S | * | * | trans | -127.3 | 139.3 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | D16 | S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 2.92Å | ||
| 15 | H | 53.7 | Low | 52.7 | Low | 203 Ų | 203 | 119.6 Ų | 119.6 | 94% | 0.94 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -91.3 | 29.7 | -163.9 | -152.8 | 80.3 | 0 | 0 | 0 | 113.7 | ||
| 16 | D | 58 | Low | 54.3 | Low | 99 Ų | 99 | 121.2 Ų | 121.2 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | trans | -137.9 | 112.9 | 177.1 | -165.7 | -20.8 | 0 | 0 | 0 | 112.5 | S14 G18 Q19 L20 | S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 2.92Å; D16-G18 PolarHBondContact O-N 2.95Å; D16-G18 PolarHBondContact OD1-N 3.08Å; D16-Q19 HydrophobicContact CB-CB 4.46Å; D16-Q19 PolarHBondContact O-N 2.99Å; D16-Q19 VanDerWaalsContact O-N 3.16Å; D16-L20 PolarHBondContact O-N 3.44Å | ||
| 17 | Q | 53.5 | Low | 55.4 | Low | 167 Ų | 167 | 120.9 Ų | 120.9 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.9 | -26.1 | -179.4 | -171.1 | 173.4 | -14.2 | 0 | 0 | 112.7 | Q19 T21 | Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q17-T21 WeakPolarHBondContact O-CG2 3.46Å; Q17-T21 PolarHBondContact O-N 2.78Å; Q17-T21 PolarHBondContact O-OG1 3.22Å |
| 18 | G | 66.6 | Low | 56.8 | Low | 34 Ų | 34 | 118.7 Ų | 118.7 | 35% | 0.351 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.9 | -19.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D16 T21 K22 | D16-G18 PolarHBondContact O-N 2.95Å; D16-G18 PolarHBondContact OD1-N 3.08Å; G18-T21 PolarHBondContact O-OG1 3.48Å; G18-K22 WeakPolarHBondContact O-CD 3.33Å; G18-K22 WeakPolarHBondContact O-CG 3.29Å |
| 19 | Q | 59.5 | Low | 58.1 | Low | 109 Ų | 109 | 117.9 Ų | 117.9 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -90.8 | -43.4 | 177.1 | -160.9 | 176.9 | 29.1 | 0 | 0 | 111.3 | D16 Q17 T21 K22 E23 | D16-Q19 HydrophobicContact CB-CB 4.46Å; D16-Q19 PolarHBondContact O-N 2.99Å; D16-Q19 VanDerWaalsContact O-N 3.16Å; Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q19-T21 VanDerWaalsContact C-N 3.26Å; Q19-T21 PolarHBondContact O-N 3.2Å; Q19-K22 PolarHBondContact O-N 3.24Å; Q19-K22 VanDerWaalsContact O-N 3.09Å; Q19-E23 PolarHBondContact O-N 3.36Å; Q19-E23 VanDerWaalsContact O-N 3.14Å |
| 20 | L | 64.6 | Low | 58.9 | Low | 85 Ų | 85 | 117.6 Ų | 117.6 | 45% | 0.445 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -57.4 | -38.5 | 177 | -174.4 | 68.2 | 0 | 0 | 0 | 112.6 | F12 D16 L24 | F12-L20 HydrophobicContact CB-CD1 3.8Å; F12-L20 HydrophobicContact CD1-CD1 4.15Å; F12-L20 HydrophobicContact CG-CD1 4.06Å; D16-L20 PolarHBondContact O-N 3.44Å; L20-L24 VanDerWaalsContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 PolarHBondContact O-N 3.47Å |
| 21 | T | 64.3 | Low | 59.4 | Low | 81 Ų | 81 | 116 Ų | 116 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.1 | -34.9 | 177.8 | 42.6 | 0 | 0 | 0 | 0 | 112.7 | Q17 G18 Q19 Q25 | Q17-T21 WeakPolarHBondContact O-CG2 3.46Å; Q17-T21 PolarHBondContact O-N 2.78Å; Q17-T21 PolarHBondContact O-OG1 3.22Å; G18-T21 PolarHBondContact O-OG1 3.48Å; Q19-T21 VanDerWaalsContact C-N 3.26Å; Q19-T21 PolarHBondContact O-N 3.2Å; T21-Q25 WeakPolarHBondContact O-CB 3.48Å; T21-Q25 PolarHBondContact O-N 2.81Å |
| 22 | K | 72.3 | Confident | 59.7 | Low | 144 Ų | 144 | 110.7 Ų | 110.7 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69 | -48 | 175.8 | -67.9 | 172.8 | -175.2 | 174.4 | 0 | 111.3 | G18 Q19 Q25 Q26 | G18-K22 WeakPolarHBondContact O-CD 3.33Å; G18-K22 WeakPolarHBondContact O-CG 3.29Å; Q19-K22 PolarHBondContact O-N 3.24Å; Q19-K22 VanDerWaalsContact O-N 3.09Å; K22-Q25 PolarHBondContact O-N 3.4Å; K22-Q26 WeakPolarHBondContact O-CB 3.46Å; K22-Q26 PolarHBondContact O-N 3.45Å |
| 23 | E | 65.2 | Low | 59.6 | Low | 96 Ų | 96 | 107.8 Ų | 107.8 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.2 | -48.1 | 175.8 | -73.9 | -58.9 | 133.1 | 0 | 0 | 111.9 | Q19 Q25 Q26 H27 | Q19-E23 PolarHBondContact O-N 3.36Å; Q19-E23 VanDerWaalsContact O-N 3.14Å; E23-Q25 VanDerWaalsContact C-N 3.33Å; E23-Q25 PolarHBondContact O-N 2.97Å; E23-Q26 PolarHBondContact O-N 3.12Å; E23-H27 WeakPolarHBondContact O-CB 3.41Å; E23-H27 PolarHBondContact O-N 3.23Å |
| 24 | L | 67.8 | Low | 59.3 | Low | 109 Ų | 109 | 104.8 Ų | 104.8 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62 | -41.1 | 177 | -175.3 | 65 | 0 | 0 | 0 | 111.7 | L20 H27 V28 | L20-L24 VanDerWaalsContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 PolarHBondContact O-N 3.47Å; L24-H27 PolarHBondContact O-N 2.93Å; L24-V28 WeakPolarHBondContact O-CB 3.36Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.36Å; L24-V28 PolarHBondContact O-N 3.42Å |
| 25 | Q | 66.9 | Low | 59.4 | Low | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.3 | -35 | 177.6 | -160.3 | -166.9 | 53.4 | 0 | 0 | 111.8 | T21 K22 E23 K29 | T21-Q25 WeakPolarHBondContact O-CB 3.48Å; T21-Q25 PolarHBondContact O-N 2.81Å; K22-Q25 PolarHBondContact O-N 3.4Å; E23-Q25 VanDerWaalsContact C-N 3.33Å; E23-Q25 PolarHBondContact O-N 2.97Å; Q25-K29 HydrophobicContact CG-CD 4.4Å; Q25-K29 VanDerWaalsContact O-CB 3.31Å; Q25-K29 WeakPolarHBondContact O-CB 3.26Å; Q25-K29 WeakPolarHBondContact O-CD 3.47Å; Q25-K29 WeakPolarHBondContact O-CG 3.36Å; Q25-K29 PolarHBondContact O-N 3.42Å |
| 26 | Q | 67.8 | Low | 59.3 | Low | 129 Ų | 129 | 101 Ų | 101 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70 | -40.1 | 175.6 | -172.8 | 156.6 | -34.4 | 0 | 0 | 111.7 | K22 E23 K29 S30 | K22-Q26 WeakPolarHBondContact O-CB 3.46Å; K22-Q26 PolarHBondContact O-N 3.45Å; E23-Q26 PolarHBondContact O-N 3.12Å; Q26-K29 PolarHBondContact O-N 3.45Å; Q26-S30 PolarHBondContact O-N 3.05Å; Q26-S30 PolarHBondContact O-OG 3.4Å |
| 27 | H | 61.3 | Low | 58.7 | Low | 110 Ų | 110 | 105.3 Ų | 105.3 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.2 | -42 | 172.7 | -170 | 59.6 | 0 | 0 | 0 | 112.1 | E23 L24 K29 S30 V31 | E23-H27 WeakPolarHBondContact O-CB 3.41Å; E23-H27 PolarHBondContact O-N 3.23Å; L24-H27 PolarHBondContact O-N 2.93Å; H27-K29 VanDerWaalsContact C-N 3.34Å; H27-K29 PolarHBondContact O-N 3.49Å; H27-S30 PolarHBondContact O-N 3.3Å; H27-S30 PolarHBondContact O-OG 3.16Å; H27-S30 VanDerWaalsContact O-OG 3.07Å; H27-V31 WeakPolarHBondContact O-CB 3.39Å; H27-V31 VanDerWaalsContact O-CG2 3.26Å; H27-V31 WeakPolarHBondContact O-CG2 3.44Å; H27-V31 PolarHBondContact O-N 3.13Å |
| 28 | V | 64.8 | Low | 58.7 | Low | 72 Ų | 72 | 101.4 Ų | 101.4 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 173.1 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L24 T32 | L24-V28 WeakPolarHBondContact O-CB 3.36Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.36Å; L24-V28 PolarHBondContact O-N 3.42Å; V28-T32 WeakPolarHBondContact O-CA 3.32Å; V28-T32 WeakPolarHBondContact O-CB 3.34Å; V28-T32 PolarHBondContact O-N 2.86Å; V28-T32 PolarHBondContact O-OG1 2.91Å |
| 29 | K | 64.3 | Low | 58.1 | Low | 129 Ų | 129 | 105.7 Ų | 105.7 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.5 | -37.7 | 175.2 | -78.6 | 163.2 | 178 | 167.9 | 0 | 112.8 | Q25 Q26 H27 | Q25-K29 HydrophobicContact CG-CD 4.4Å; Q25-K29 VanDerWaalsContact O-CB 3.31Å; Q25-K29 WeakPolarHBondContact O-CB 3.26Å; Q25-K29 WeakPolarHBondContact O-CD 3.47Å; Q25-K29 WeakPolarHBondContact O-CG 3.36Å; Q25-K29 PolarHBondContact O-N 3.42Å; Q26-K29 PolarHBondContact O-N 3.45Å; H27-K29 VanDerWaalsContact C-N 3.34Å; H27-K29 PolarHBondContact O-N 3.49Å |
| 30 | S | 57.4 | Low | 57.9 | Low | 92 Ų | 92 | 108.2 Ų | 108.2 | 64% | 0.643 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -79.2 | -34.3 | 178.8 | 64.6 | 0 | 0 | 0 | 0 | 113.3 | Q26 H27 | Q26-S30 PolarHBondContact O-N 3.05Å; Q26-S30 PolarHBondContact O-OG 3.4Å; H27-S30 PolarHBondContact O-N 3.3Å; H27-S30 PolarHBondContact O-OG 3.16Å; H27-S30 VanDerWaalsContact O-OG 3.07Å |
| 31 | V | 53.7 | Low | 57.5 | Low | 98 Ų | 98 | 107.5 Ų | 107.5 | 59% | 0.594 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -79.1 | -23 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | H27 | H27-V31 WeakPolarHBondContact O-CB 3.39Å; H27-V31 VanDerWaalsContact O-CG2 3.26Å; H27-V31 WeakPolarHBondContact O-CG2 3.44Å; H27-V31 PolarHBondContact O-N 3.13Å |
| 32 | T | 50.2 | Low | 57.3 | Low | 64 Ų | 64 | 108 Ų | 108 | 39% | 0.393 | 55% | 0.548 | S | S | . | . | trans | -115.1 | 75.7 | -171.7 | -37.3 | 0 | 0 | 0 | 0 | 113.6 | V28 | V28-T32 WeakPolarHBondContact O-CA 3.32Å; V28-T32 WeakPolarHBondContact O-CB 3.34Å; V28-T32 PolarHBondContact O-N 2.86Å; V28-T32 PolarHBondContact O-OG1 2.91Å | ||
| 33 | C | 43.2 | Very low | 56.6 | Low | 72 Ų | 72 | 106.4 Ų | 106.4 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | trans | -145.5 | 129.9 | 156.4 | -154.8 | 0 | 0 | 0 | 0 | 108.4 | R39 | C33-R39 VanDerWaalsContact SG-CZ 3.59Å; C33-R39 PolarHBondContact SG-NH2 2.86Å | ||
| 34 | P | 44.9 | Very low | 56.1 | Low | 118 Ų | 118 | 105.9 Ų | 105.9 | 77% | 0.766 | 55% | 0.549 | S | S | * | . | S | Bend | cis | -122.7 | 118 | 28.2 | 35.6 | -19.6 | 0 | 0 | 0 | 114.8 | ||
| 35 | C | 47.4 | Very low | 55.2 | Low | 68 Ų | 68 | 105.7 Ų | 105.7 | 46% | 0.459 | 55% | 0.548 | S | S | . | . | trans | -142.5 | 86.5 | 161.6 | -87.2 | 0 | 0 | 0 | 0 | 108.8 | Y37 L38 R39 | C35-Y37 PolarHBondContact O-N 3.43Å; C35-Y37 VanDerWaalsContact O-N 3.09Å; C35-L38 HydrophobicContact CB-CB 4.06Å; C35-L38 HydrophobicContact CB-CD1 3.9Å; C35-L38 HydrophobicContact CB-CG 4.24Å; C35-L38 PolarHBondContact O-N 2.89Å; C35-R39 PolarHBondContact O-N 3.45Å | ||
| 36 | E | 50.7 | Low | 54.5 | Low | 138 Ų | 138 | 102.9 Ų | 102.9 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -48.2 | -35.8 | 173.6 | -78.1 | -65.1 | 110.7 | 0 | 0 | 112.4 | L38 R39 K40 | E36-L38 PolarHBondContact O-N 3.34Å; E36-R39 PolarHBondContact O-N 3.35Å; E36-R39 IonicContact OE1-NH1 3.55Å; E36-K40 PolarHBondContact O-N 3Å; E36-K40 VanDerWaalsContact O-N 3.1Å |
| 37 | Y | 46.2 | Very low | 53.5 | Low | 191 Ų | 191 | 102.9 Ų | 102.9 | 75% | 0.749 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61 | -40.5 | 176 | -160.5 | -94.5 | 0 | 0 | 0 | 113.5 | C35 K40 V41 | C35-Y37 PolarHBondContact O-N 3.43Å; C35-Y37 VanDerWaalsContact O-N 3.09Å; Y37-K40 PolarHBondContact O-N 3.39Å; Y37-V41 HydrophobicContact CD1-CG2 4.36Å; Y37-V41 HydrophobicContact CE1-CG2 4.17Å; Y37-V41 WeakPolarHBondContact O-CG2 3.48Å; Y37-V41 PolarHBondContact O-N 2.82Å |
| 38 | L | 53.1 | Low | 53 | Low | 85 Ų | 85 | 105 Ų | 105 | 45% | 0.445 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.2 | -39.7 | 179.6 | -84.9 | 167.3 | 0 | 0 | 0 | 111.8 | C35 E36 K40 V41 I42 | C35-L38 HydrophobicContact CB-CB 4.06Å; C35-L38 HydrophobicContact CB-CD1 3.9Å; C35-L38 HydrophobicContact CB-CG 4.24Å; C35-L38 PolarHBondContact O-N 2.89Å; E36-L38 PolarHBondContact O-N 3.34Å; L38-K40 VanDerWaalsContact C-N 3.29Å; L38-K40 PolarHBondContact O-N 3.45Å; L38-V41 PolarHBondContact O-N 3.39Å; L38-I42 WeakPolarHBondContact O-CB 3.5Å; L38-I42 WeakPolarHBondContact O-CD1 3.23Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.5Å; L38-I42 PolarHBondContact O-N 2.93Å |
| 39 | R | 53.9 | Low | 52.2 | Low | 123 Ų | 123 | 108.4 Ų | 108.4 | 46% | 0.464 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58.3 | -43.5 | 173.1 | -75.3 | 179.9 | 173.5 | 168.6 | -6.6 | 111.4 | C33 C35 E36 V41 I42 N43 | C33-R39 VanDerWaalsContact SG-CZ 3.59Å; C33-R39 PolarHBondContact SG-NH2 2.86Å; C35-R39 PolarHBondContact O-N 3.45Å; E36-R39 PolarHBondContact O-N 3.35Å; E36-R39 IonicContact OE1-NH1 3.55Å; R39-V41 PolarHBondContact O-N 3.08Å; R39-I42 PolarHBondContact O-N 3.31Å; R39-N43 WeakPolarHBondContact O-CB 3.32Å; R39-N43 PolarHBondContact O-N 3.44Å; R39-N43 PolarHBondContact O-OD1 3Å |
| 40 | K | 54.9 | Low | 51.3 | Low | 162 Ų | 162 | 110.3 Ų | 110.3 | 70% | 0.704 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.7 | -42.4 | 179.8 | -155.8 | 165.4 | -171.8 | 171.3 | 0 | 112.3 | E36 Y37 L38 T44 | E36-K40 PolarHBondContact O-N 3Å; E36-K40 VanDerWaalsContact O-N 3.1Å; Y37-K40 PolarHBondContact O-N 3.39Å; L38-K40 VanDerWaalsContact C-N 3.29Å; L38-K40 PolarHBondContact O-N 3.45Å; K40-T44 PolarHBondContact O-N 3.29Å; K40-T44 VanDerWaalsContact O-N 3.14Å; K40-T44 PolarHBondContact O-OG1 2.91Å |
| 41 | V | 57.3 | Low | 50.7 | Low | 71 Ų | 71 | 116.4 Ų | 116.4 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68 | -41.3 | 176.4 | 173.4 | 0 | 0 | 0 | 0 | 112.4 | Y37 L38 R39 T44 L45 | Y37-V41 HydrophobicContact CD1-CG2 4.36Å; Y37-V41 HydrophobicContact CE1-CG2 4.17Å; Y37-V41 WeakPolarHBondContact O-CG2 3.48Å; Y37-V41 PolarHBondContact O-N 2.82Å; L38-V41 PolarHBondContact O-N 3.39Å; R39-V41 PolarHBondContact O-N 3.08Å; V41-T44 WeakPolarHBondContact CA-OG1 3.36Å; V41-T44 PolarHBondContact O-OG1 3.45Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 PolarHBondContact O-N 3.02Å |
| 42 | I | 60.8 | Low | 50.4 | Low | 92 Ų | 92 | 115.5 Ų | 115.5 | 47% | 0.472 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.5 | -41.3 | 178.6 | -68.1 | 165.3 | 0 | 0 | 0 | 110.9 | L38 R39 L45 A46 | L38-I42 WeakPolarHBondContact O-CB 3.5Å; L38-I42 WeakPolarHBondContact O-CD1 3.23Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.5Å; L38-I42 PolarHBondContact O-N 2.93Å; R39-I42 PolarHBondContact O-N 3.31Å; I42-L45 PolarHBondContact O-N 3.18Å; I42-A46 WeakPolarHBondContact O-CB 3.42Å; I42-A46 PolarHBondContact O-N 3.17Å |
| 43 | N | 56.3 | Low | 50 | Low | 109 Ų | 109 | 117.2 Ų | 117.2 | 58% | 0.583 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.3 | -40.5 | 178.3 | -69.4 | -3.2 | 0 | 0 | 0 | 111.8 | R39 L45 A46 D47 | R39-N43 WeakPolarHBondContact O-CB 3.32Å; R39-N43 PolarHBondContact O-N 3.44Å; R39-N43 PolarHBondContact O-OD1 3Å; N43-L45 VanDerWaalsContact C-N 3.3Å; N43-L45 PolarHBondContact O-N 3.25Å; N43-A46 PolarHBondContact O-N 3.42Å; N43-D47 PolarHBondContact O-N 3.46Å; N43-D47 VanDerWaalsContact O-N 3.13Å |
| 44 | T | 54.5 | Low | 50.2 | Low | 85 Ų | 85 | 121.9 Ų | 121.9 | 52% | 0.521 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.4 | -30.4 | 173.4 | 47.7 | 0 | 0 | 0 | 0 | 113.2 | K40 V41 | K40-T44 PolarHBondContact O-N 3.29Å; K40-T44 VanDerWaalsContact O-N 3.14Å; K40-T44 PolarHBondContact O-OG1 2.91Å; V41-T44 WeakPolarHBondContact CA-OG1 3.36Å; V41-T44 PolarHBondContact O-OG1 3.45Å |
| 45 | L | 49.6 | Very low | 49.9 | Very low | 106 Ų | 106 | 124 Ų | 124 | 56% | 0.555 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -75.5 | -36.8 | 176.1 | -172.9 | 65.1 | 0 | 0 | 0 | 112 | V41 I42 N43 H48 H49 | V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 PolarHBondContact O-N 3.02Å; I42-L45 PolarHBondContact O-N 3.18Å; N43-L45 VanDerWaalsContact C-N 3.3Å; N43-L45 PolarHBondContact O-N 3.25Å; L45-H48 PolarHBondContact O-N 3.3Å; L45-H49 PolarHBondContact O-N 2.96Å |
| 46 | A | 51.9 | Low | 49.9 | Very low | 47 Ų | 47 | 124.3 Ų | 124.3 | 39% | 0.388 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.1 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I42 N43 H48 H49 | I42-A46 WeakPolarHBondContact O-CB 3.42Å; I42-A46 PolarHBondContact O-N 3.17Å; N43-A46 PolarHBondContact O-N 3.42Å; A46-H48 VanDerWaalsContact C-N 3.26Å; A46-H48 PolarHBondContact O-N 3.05Å; A46-H49 PolarHBondContact O-N 2.98Å |
| 47 | D | 48 | Very low | 49.8 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 68% | 0.684 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.8 | -32 | 178.1 | -152 | 45.4 | 0 | 0 | 0 | 112.2 | N43 H49 | N43-D47 PolarHBondContact O-N 3.46Å; N43-D47 VanDerWaalsContact O-N 3.13Å; D47-H49 VanDerWaalsContact C-N 3.35Å |
| 48 | H | 49.1 | Very low | 49.7 | Very low | 156 Ų | 156 | 114.2 Ų | 114.2 | 72% | 0.722 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.7 | -17.1 | 172.1 | -75.8 | 10.3 | 0 | 0 | 0 | 114.3 | L45 A46 | L45-H48 PolarHBondContact O-N 3.3Å; A46-H48 VanDerWaalsContact C-N 3.26Å; A46-H48 PolarHBondContact O-N 3.05Å |
| 49 | H | 48.5 | Very low | 49.7 | Very low | 142 Ų | 142 | 114.7 Ų | 114.7 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -87.1 | -12 | 179.1 | -97.8 | -81.4 | 0 | 0 | 0 | 114.2 | L45 A46 D47 | L45-H49 PolarHBondContact O-N 2.96Å; A46-H49 PolarHBondContact O-N 2.98Å; D47-H49 VanDerWaalsContact C-N 3.35Å |
| 50 | H | 45.3 | Very low | 49.5 | Very low | 170 Ų | 170 | 117.9 Ų | 117.9 | 79% | 0.787 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -89 | -11.1 | -177.3 | -92.8 | -66.4 | 0 | 0 | 0 | 115.5 | G52 | H50-G52 PolarHBondContact O-N 3.2Š|
| 51 | R | 44.8 | Very low | 49.6 | Very low | 220 Ų | 220 | 114.7 Ų | 114.7 | 83% | 0.83 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -87.6 | 91.5 | 167.1 | -91.8 | -174.8 | 140.1 | -153.6 | -6.1 | 110 | T53 | R51-T53 PolarHBondContact O-N 3.43Å; R51-T53 PolarHBondContact O-OG1 3Å; R51-T53 VanDerWaalsContact O-OG1 3.08Å |
| 52 | G | 48.5 | Very low | 49.5 | Very low | 78 Ų | 78 | 118.5 Ų | 118.5 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | trans | -49.1 | 105.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H50 | H50-G52 PolarHBondContact O-N 3.2Š| ||
| 53 | T | 40.2 | Very low | 49.3 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | trans | -144.5 | 123.2 | 171.6 | 34.9 | 0 | 0 | 0 | 0 | 107.3 | R51 F55 | R51-T53 PolarHBondContact O-N 3.43Å; R51-T53 PolarHBondContact O-OG1 3Å; R51-T53 VanDerWaalsContact O-OG1 3.08Å; T53-F55 VanDerWaalsContact C-N 3.27Å; T53-F55 PolarHBondContact O-N 2.7Å | ||
| 54 | D | 47.3 | Very low | 49.4 | Very low | 170 Ų | 170 | 117.5 Ų | 117.5 | 91% | 0.909 | 65% | 0.645 | S | S | * | * | trans | -72.5 | 75.2 | -172.5 | -58.7 | -73 | 0 | 0 | 0 | 112.3 | G56 | D54-G56 VanDerWaalsContact C-N 3.3Å; D54-G56 PolarHBondContact O-N 2.9Å | ||
| 55 | F | 39.4 | Very low | 49.6 | Very low | 163 Ų | 163 | 119.6 Ų | 119.6 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | trans | -90.4 | 66.3 | 170.6 | -92.9 | -78.9 | 0 | 0 | 0 | 112 | T53 G57 | T53-F55 VanDerWaalsContact C-N 3.27Å; T53-F55 PolarHBondContact O-N 2.7Å; F55-G57 PolarHBondContact O-N 3.14Å | ||
| 56 | G | 47 | Very low | 49.6 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | 129.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D54 S58 | D54-G56 VanDerWaalsContact C-N 3.3Å; D54-G56 PolarHBondContact O-N 2.9Å; G56-S58 PolarHBondContact O-N 3.48Å |
| 57 | G | 48.7 | Very low | 49.5 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.9 | 19.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118 | F55 P59 | F55-G57 PolarHBondContact O-N 3.14Å; G57-P59 VanDerWaalsContact O-CD 3.23Å; G57-P59 WeakPolarHBondContact O-CD 3.46Å |
| 58 | S | 45.4 | Very low | 49.9 | Very low | 43 Ų | 43 | 118.1 Ų | 118.1 | 30% | 0.301 | 65% | 0.646 | S | S | . | * | trans | -63.3 | 117.2 | 176 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | G56 W60 L61 | G56-S58 PolarHBondContact O-N 3.48Å; S58-W60 PolarHBondContact O-N 3.02Å; S58-L61 PolarHBondContact O-N 3.27Å | ||
| 59 | P | 52.1 | Low | 50.1 | Low | 94 Ų | 94 | 115.9 Ų | 115.9 | 61% | 0.61 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.5 | -19.4 | -173.1 | -26.3 | 36 | 0 | 0 | 0 | 114.5 | G57 L61 H62 V63 | G57-P59 VanDerWaalsContact O-CD 3.23Å; G57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-L61 VanDerWaalsContact C-N 3.32Å; P59-L61 PolarHBondContact O-N 3.39Å; P59-H62 PolarHBondContact O-N 2.99Å; P59-V63 PolarHBondContact O-N 3.22Å; P59-V63 VanDerWaalsContact O-N 3.14Å |
| 60 | W | 49.9 | Very low | 50.8 | Low | 191 Ų | 191 | 110.7 Ų | 110.7 | 72% | 0.723 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.4 | -34.5 | 177.6 | -93.7 | 72.9 | 0 | 0 | 0 | 114.1 | S58 V63 I64 | S58-W60 PolarHBondContact O-N 3.02Å; W60-V63 WeakPolarHBondContact O-CB 3.45Å; W60-V63 PolarHBondContact O-N 3.38Å; W60-I64 WeakPolarHBondContact O-CG1 3.49Å; W60-I64 PolarHBondContact O-N 3.41Å |
| 61 | L | 56.5 | Low | 51.9 | Low | 95 Ų | 95 | 108.2 Ų | 108.2 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.5 | -36.6 | 178.1 | -73.1 | 170.2 | 0 | 0 | 0 | 111.7 | S58 P59 I64 I65 | S58-L61 PolarHBondContact O-N 3.27Å; P59-L61 VanDerWaalsContact C-N 3.32Å; P59-L61 PolarHBondContact O-N 3.39Å; L61-I64 PolarHBondContact O-N 3.36Å; L61-I65 WeakPolarHBondContact O-CG1 3.33Å; L61-I65 PolarHBondContact O-N 3.13Å |
| 62 | H | 55.3 | Low | 53.3 | Low | 151 Ų | 151 | 104 Ų | 104 | 70% | 0.699 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.7 | -38 | 171 | -86.6 | -77.9 | 0 | 0 | 0 | 112.3 | P59 I65 A66 | P59-H62 PolarHBondContact O-N 2.99Å; H62-I65 PolarHBondContact O-N 2.89Å; H62-A66 WeakPolarHBondContact O-CB 3.43Å; H62-A66 PolarHBondContact O-N 3.39Å |
| 63 | V | 56.8 | Low | 54.5 | Low | 78 Ų | 78 | 104.5 Ų | 104.5 | 47% | 0.473 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.4 | -44.1 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | P59 W60 F67 | P59-V63 PolarHBondContact O-N 3.22Å; P59-V63 VanDerWaalsContact O-N 3.14Å; W60-V63 WeakPolarHBondContact O-CB 3.45Å; W60-V63 PolarHBondContact O-N 3.38Å; V63-F67 HydrophobicContact CG1-CD2 4.15Å; V63-F67 HydrophobicContact CG1-CE2 4.41Å; V63-F67 WeakPolarHBondContact O-CB 3.49Å; V63-F67 WeakPolarHBondContact O-CD2 3.35Å; V63-F67 PolarHBondContact O-N 2.92Å; V63-F67 VanDerWaalsContact O-N 3.08Å |
| 64 | I | 59.3 | Low | 56.4 | Low | 102 Ų | 102 | 103.3 Ų | 103.3 | 52% | 0.523 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.6 | -43.6 | 179.9 | -66.5 | 163 | 0 | 0 | 0 | 111.4 | W60 L61 F67 | W60-I64 WeakPolarHBondContact O-CG1 3.49Å; W60-I64 PolarHBondContact O-N 3.41Å; L61-I64 PolarHBondContact O-N 3.36Å; I64-F67 PolarHBondContact O-N 3.16Å |
| 65 | I | 57.7 | Low | 58 | Low | 129 Ų | 129 | 99.1 Ų | 99.1 | 66% | 0.662 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.5 | -24.9 | -178.5 | -63.4 | 170 | 0 | 0 | 0 | 112.5 | L61 H62 P68 | L61-I65 WeakPolarHBondContact O-CG1 3.33Å; L61-I65 PolarHBondContact O-N 3.13Å; H62-I65 PolarHBondContact O-N 2.89Å; I65-P68 WeakPolarHBondContact O-CD 3.5Å; I65-P68 WeakPolarHBondContact O-CG 3.45Å |
| 66 | A | 50 | Low | 59.9 | Low | 59 Ų | 59 | 95.3 Ų | 95.3 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -83.2 | -18.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H62 T69 | H62-A66 WeakPolarHBondContact O-CB 3.43Å; H62-A66 PolarHBondContact O-N 3.39Å; A66-T69 PolarHBondContact O-N 3.42Å; A66-T69 PolarHBondContact O-OG1 3.29Å |
| 67 | F | 49.8 | Very low | 61.6 | Low | 106 Ų | 106 | 97.2 Ų | 97.2 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -16.1 | -179.5 | -121.3 | -107.1 | 0 | 0 | 0 | 118.9 | V63 I64 T69 S70 Y71 V74 | V63-F67 HydrophobicContact CG1-CD2 4.15Å; V63-F67 HydrophobicContact CG1-CE2 4.41Å; V63-F67 WeakPolarHBondContact O-CB 3.49Å; V63-F67 WeakPolarHBondContact O-CD2 3.35Å; V63-F67 PolarHBondContact O-N 2.92Å; V63-F67 VanDerWaalsContact O-N 3.08Å; I64-F67 PolarHBondContact O-N 3.16Å; F67-T69 PolarHBondContact O-N 3.33Å; F67-T69 VanDerWaalsContact O-N 3.11Å; F67-S70 VanDerWaalsContact CD1-CB 3.5Å; F67-S70 WeakPolarHBondContact CD2-OG 3.17Å; F67-S70 WeakPolarHBondContact O-CA 3.13Å; F67-S70 VanDerWaalsContact O-CB 3.3Å; F67-S70 WeakPolarHBondContact O-CB 3.49Å; F67-S70 PolarHBondContact O-N 3.24Å; F67-Y71 PolarHBondContact O-N 3.3Å; F67-Y71 VanDerWaalsContact O-N 3.11Å; F67-V74 HydrophobicContact CE1-CG2 4.11Å |
| 68 | P | 56.7 | Low | 63.5 | Low | 84 Ų | 84 | 101.7 Ų | 101.7 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.5 | -1.2 | 171 | 27.2 | -32.6 | 0 | 0 | 0 | 113.6 | I65 Y71 | I65-P68 WeakPolarHBondContact O-CD 3.5Å; I65-P68 WeakPolarHBondContact O-CG 3.45Å; P68-Y71 WeakPolarHBondContact O-CD1 3.44Å; P68-Y71 WeakPolarHBondContact O-CE1 3.35Å |
| 69 | T | 53.8 | Low | 65.5 | Low | 110 Ų | 110 | 103.1 Ų | 103.1 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -87.4 | -35.1 | 161.5 | -37.7 | 0 | 0 | 0 | 0 | 111.2 | A66 F67 | A66-T69 PolarHBondContact O-N 3.42Å; A66-T69 PolarHBondContact O-OG1 3.29Å; F67-T69 PolarHBondContact O-N 3.33Å; F67-T69 VanDerWaalsContact O-N 3.11Å |
| 70 | S | 61.5 | Low | 67.4 | Low | 32 Ų | 32 | 102.5 Ų | 102.5 | 22% | 0.224 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -72.2 | -24.3 | -178.2 | -47.7 | 0 | 0 | 0 | 0 | 114.3 | F67 K72 V73 V74 | F67-S70 VanDerWaalsContact CD1-CB 3.5Å; F67-S70 WeakPolarHBondContact CD2-OG 3.17Å; F67-S70 WeakPolarHBondContact O-CA 3.13Å; F67-S70 VanDerWaalsContact O-CB 3.3Å; F67-S70 WeakPolarHBondContact O-CB 3.49Å; F67-S70 PolarHBondContact O-N 3.24Å; S70-K72 PolarHBondContact O-N 2.8Å; S70-K72 VanDerWaalsContact O-N 3.1Å; S70-V73 WeakPolarHBondContact O-CA 3.19Å; S70-V73 WeakPolarHBondContact O-CB 3.36Å; S70-V73 PolarHBondContact O-N 3.43Å; S70-V74 PolarHBondContact O-N 2.85Å |
| 71 | Y | 70 | Confident | 69.3 | Low | 118 Ų | 118 | 101.1 Ų | 101.1 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.8 | -31.6 | 179.2 | 85.1 | -103.7 | 0 | 0 | 0 | 112.1 | F67 P68 V73 V74 I75 | F67-Y71 PolarHBondContact O-N 3.3Å; F67-Y71 VanDerWaalsContact O-N 3.11Å; P68-Y71 WeakPolarHBondContact O-CD1 3.44Å; P68-Y71 WeakPolarHBondContact O-CE1 3.35Å; Y71-V73 VanDerWaalsContact C-N 3.34Å; Y71-V74 PolarHBondContact O-N 3.49Å; Y71-I75 HydrophobicContact CD2-CD1 3.7Å; Y71-I75 HydrophobicContact CD2-CG1 4.46Å; Y71-I75 HydrophobicContact CE2-CD1 4.18Å; Y71-I75 WeakPolarHBondContact O-CB 3.43Å; Y71-I75 VanDerWaalsContact O-CG1 3.28Å; Y71-I75 WeakPolarHBondContact O-CG1 3.39Å; Y71-I75 PolarHBondContact O-N 3.12Å |
| 72 | K | 72.8 | Confident | 71 | Confident | 132 Ų | 132 | 101.3 Ų | 101.3 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.4 | -37.1 | 175 | -70.5 | -178.6 | 179.3 | 168.5 | 0 | 112.2 | S70 T76 | S70-K72 PolarHBondContact O-N 2.8Å; S70-K72 VanDerWaalsContact O-N 3.1Å; K72-T76 VanDerWaalsContact O-CB 3.27Å; K72-T76 WeakPolarHBondContact O-CB 3.35Å; K72-T76 PolarHBondContact O-N 2.99Å; K72-T76 PolarHBondContact O-OG1 3.08Å |
| 73 | V | 73.4 | Confident | 72.6 | Confident | 88 Ų | 88 | 102.4 Ų | 102.4 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -46.1 | 174 | -175 | 0 | 0 | 0 | 0 | 109.7 | S70 Y71 I75 T76 L77 | S70-V73 WeakPolarHBondContact O-CA 3.19Å; S70-V73 WeakPolarHBondContact O-CB 3.36Å; S70-V73 PolarHBondContact O-N 3.43Å; Y71-V73 VanDerWaalsContact C-N 3.34Å; V73-I75 PolarHBondContact O-N 3.24Å; V73-T76 PolarHBondContact O-N 2.9Å; V73-L77 HydrophobicContact CG1-CD1 4Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CB 3.18Å; V73-L77 WeakPolarHBondContact O-CG 3.3Å; V73-L77 PolarHBondContact O-N 3.29Å |
| 74 | V | 81.1 | Confident | 74 | Confident | 77 Ų | 77 | 102.7 Ų | 102.7 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | F67 S70 Y71 T76 L77 W78 | F67-V74 HydrophobicContact CE1-CG2 4.11Å; S70-V74 PolarHBondContact O-N 2.85Å; Y71-V74 PolarHBondContact O-N 3.49Å; V74-T76 VanDerWaalsContact C-N 3.34Å; V74-T76 PolarHBondContact O-N 3.33Å; V74-L77 PolarHBondContact O-N 3.27Å; V74-W78 VanDerWaalsContact O-CB 3.31Å; V74-W78 WeakPolarHBondContact O-CB 3.33Å; V74-W78 PolarHBondContact O-N 3.39Å |
| 75 | I | 81.8 | Confident | 75.1 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 175.1 | -72.5 | 178.4 | 0 | 0 | 0 | 110.8 | Y71 V73 W78 I79 | Y71-I75 HydrophobicContact CD2-CD1 3.7Å; Y71-I75 HydrophobicContact CD2-CG1 4.46Å; Y71-I75 HydrophobicContact CE2-CD1 4.18Å; Y71-I75 WeakPolarHBondContact O-CB 3.43Å; Y71-I75 VanDerWaalsContact O-CG1 3.28Å; Y71-I75 WeakPolarHBondContact O-CG1 3.39Å; Y71-I75 PolarHBondContact O-N 3.12Å; V73-I75 PolarHBondContact O-N 3.24Å; I75-W78 PolarHBondContact O-N 2.92Å; I75-I79 HydrophobicContact CG2-CD1 3.6Å; I75-I79 HydrophobicContact CG2-CG1 4.27Å; I75-I79 WeakPolarHBondContact O-CB 3.4Å; I75-I79 WeakPolarHBondContact O-CG1 3.48Å; I75-I79 PolarHBondContact O-N 3.49Å |
| 76 | T | 79.4 | Confident | 76.3 | Confident | 82 Ų | 82 | 97.6 Ų | 97.6 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 178.5 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | K72 V73 V74 I79 V80 | K72-T76 VanDerWaalsContact O-CB 3.27Å; K72-T76 WeakPolarHBondContact O-CB 3.35Å; K72-T76 PolarHBondContact O-N 2.99Å; K72-T76 PolarHBondContact O-OG1 3.08Å; V73-T76 PolarHBondContact O-N 2.9Å; V74-T76 VanDerWaalsContact C-N 3.34Å; V74-T76 PolarHBondContact O-N 3.33Å; T76-I79 PolarHBondContact O-N 3.41Å; T76-V80 WeakPolarHBondContact O-CB 3.18Å; T76-V80 VanDerWaalsContact O-CG2 3.26Å; T76-V80 WeakPolarHBondContact O-CG2 3.39Å; T76-V80 PolarHBondContact O-N 3.02Å |
| 77 | L | 82.8 | Confident | 77.8 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 174 | -72.1 | 170.8 | 0 | 0 | 0 | 111.7 | V73 V74 V80 Y81 | V73-L77 HydrophobicContact CG1-CD1 4Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CB 3.18Å; V73-L77 WeakPolarHBondContact O-CG 3.3Å; V73-L77 PolarHBondContact O-N 3.29Å; V74-L77 PolarHBondContact O-N 3.27Å; L77-V80 PolarHBondContact O-N 3.41Å; L77-Y81 VanDerWaalsContact O-CB 3.24Å; L77-Y81 WeakPolarHBondContact O-CB 3.43Å; L77-Y81 PolarHBondContact O-N 3.14Å |
| 78 | W | 88.3 | Confident | 79.1 | Confident | 168 Ų | 168 | 102.2 Ų | 102.2 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -41.4 | 176.5 | -172.7 | 70.2 | 0 | 0 | 0 | 112.2 | V74 I75 Y81 L82 | V74-W78 VanDerWaalsContact O-CB 3.31Å; V74-W78 WeakPolarHBondContact O-CB 3.33Å; V74-W78 PolarHBondContact O-N 3.39Å; I75-W78 PolarHBondContact O-N 2.92Å; W78-Y81 PolarHBondContact O-N 3.44Å; W78-L82 VanDerWaalsContact O-CB 3.31Å; W78-L82 WeakPolarHBondContact O-CB 3.39Å; W78-L82 PolarHBondContact O-N 2.91Å |
| 79 | I | 87.5 | Confident | 79.7 | Confident | 74 Ų | 74 | 102.2 Ų | 102.2 | 38% | 0.379 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 172.5 | -73.1 | 169.1 | 0 | 0 | 0 | 110.3 | I75 T76 Y81 L82 W83 | I75-I79 HydrophobicContact CG2-CD1 3.6Å; I75-I79 HydrophobicContact CG2-CG1 4.27Å; I75-I79 WeakPolarHBondContact O-CB 3.4Å; I75-I79 WeakPolarHBondContact O-CG1 3.48Å; I75-I79 PolarHBondContact O-N 3.49Å; T76-I79 PolarHBondContact O-N 3.41Å; I79-Y81 VanDerWaalsContact C-N 3.34Å; I79-Y81 PolarHBondContact O-N 3.23Å; I79-L82 PolarHBondContact O-N 3.42Å; I79-W83 PolarHBondContact O-N 3.26Å |
| 80 | V | 92.1 | Very high | 80.5 | Confident | 81 Ų | 81 | 99.5 Ų | 99.5 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 177.8 | 168.8 | 0 | 0 | 0 | 0 | 111 | T76 L77 L82 W83 V84 | T76-V80 WeakPolarHBondContact O-CB 3.18Å; T76-V80 VanDerWaalsContact O-CG2 3.26Å; T76-V80 WeakPolarHBondContact O-CG2 3.39Å; T76-V80 PolarHBondContact O-N 3.02Å; L77-V80 PolarHBondContact O-N 3.41Å; V80-L82 PolarHBondContact O-N 2.85Å; V80-W83 PolarHBondContact O-N 2.89Å; V80-V84 HydrophobicContact CG1-CG2 4.38Å; V80-V84 WeakPolarHBondContact O-CB 3.26Å; V80-V84 WeakPolarHBondContact O-CG2 3.4Å; V80-V84 PolarHBondContact O-N 2.96Å |
| 81 | Y | 89.8 | Confident | 80.4 | Confident | 162 Ų | 162 | 102.7 Ų | 102.7 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | 176 | -178.4 | -97.8 | 0 | 0 | 0 | 112.3 | L77 W78 I79 V84 S85 | L77-Y81 VanDerWaalsContact O-CB 3.24Å; L77-Y81 WeakPolarHBondContact O-CB 3.43Å; L77-Y81 PolarHBondContact O-N 3.14Å; W78-Y81 PolarHBondContact O-N 3.44Å; I79-Y81 VanDerWaalsContact C-N 3.34Å; I79-Y81 PolarHBondContact O-N 3.23Å; Y81-V84 PolarHBondContact O-N 3.14Å; Y81-S85 VanDerWaalsContact O-CB 3.28Å; Y81-S85 WeakPolarHBondContact O-CB 3.5Å; Y81-S85 PolarHBondContact O-N 3.05Å; Y81-S85 PolarHBondContact O-OG 3.24Å |
| 82 | L | 92.1 | Very high | 79.5 | Confident | 98 Ų | 98 | 107.3 Ų | 107.3 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 175.2 | -173.9 | 64.9 | 0 | 0 | 0 | 111.5 | W78 I79 V80 S85 L86 | W78-L82 VanDerWaalsContact O-CB 3.31Å; W78-L82 WeakPolarHBondContact O-CB 3.39Å; W78-L82 PolarHBondContact O-N 2.91Å; I79-L82 PolarHBondContact O-N 3.42Å; V80-L82 PolarHBondContact O-N 2.85Å; L82-S85 PolarHBondContact O-N 3.28Å; L82-L86 VanDerWaalsContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 PolarHBondContact O-N 3.44Å |
| 83 | W | 87.6 | Confident | 78.5 | Confident | 174 Ų | 174 | 104.8 Ų | 104.8 | 66% | 0.659 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -42.4 | 174.1 | -82.9 | 107.6 | 0 | 0 | 0 | 112.7 | I79 V80 L86 L87 | I79-W83 PolarHBondContact O-N 3.26Å; V80-W83 PolarHBondContact O-N 2.89Å; W83-L86 HydrophobicContact CE3-CD2 4.32Å; W83-L86 HydrophobicContact CZ3-CD2 4.33Å; W83-L86 PolarHBondContact O-N 3.09Å; W83-L87 VanDerWaalsContact O-CB 3.24Å; W83-L87 WeakPolarHBondContact O-CB 3.27Å; W83-L87 PolarHBondContact O-N 3.28Å |
| 84 | V | 85.6 | Confident | 77.3 | Confident | 84 Ų | 84 | 106.8 Ų | 106.8 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | V80 Y81 L87 K88 | V80-V84 HydrophobicContact CG1-CG2 4.38Å; V80-V84 WeakPolarHBondContact O-CB 3.26Å; V80-V84 WeakPolarHBondContact O-CG2 3.4Å; V80-V84 PolarHBondContact O-N 2.96Å; Y81-V84 PolarHBondContact O-N 3.14Å; V84-L87 PolarHBondContact O-N 2.93Å; V84-K88 VanDerWaalsContact O-CB 3.29Å; V84-K88 WeakPolarHBondContact O-CB 3.36Å; V84-K88 PolarHBondContact O-N 3.2Å |
| 85 | S | 83.4 | Confident | 75.6 | Confident | 41 Ų | 41 | 108.9 Ų | 108.9 | 29% | 0.287 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | Y81 L82 K88 T89 | Y81-S85 VanDerWaalsContact O-CB 3.28Å; Y81-S85 WeakPolarHBondContact O-CB 3.5Å; Y81-S85 PolarHBondContact O-N 3.05Å; Y81-S85 PolarHBondContact O-OG 3.24Å; L82-S85 PolarHBondContact O-N 3.28Å; S85-K88 PolarHBondContact O-N 3.47Å; S85-T89 PolarHBondContact O-N 2.97Å; S85-T89 PolarHBondContact O-OG1 2.95Å |
| 86 | L | 81.8 | Confident | 74 | Confident | 83 Ų | 83 | 107.6 Ų | 107.6 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 173.7 | -177.6 | 65 | 0 | 0 | 0 | 111.9 | L82 W83 K88 T89 I90 | L82-L86 VanDerWaalsContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 PolarHBondContact O-N 3.44Å; W83-L86 HydrophobicContact CE3-CD2 4.32Å; W83-L86 HydrophobicContact CZ3-CD2 4.33Å; W83-L86 PolarHBondContact O-N 3.09Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-T89 PolarHBondContact O-OG1 2.78Å; L86-I90 HydrophobicContact CD1-CD1 4.08Å; L86-I90 HydrophobicContact CG-CD1 3.88Å; L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 WeakPolarHBondContact O-CD1 3.42Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 3.47Å |
| 87 | L | 82.7 | Confident | 72.6 | Confident | 105 Ų | 105 | 109.5 Ų | 109.5 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 177.1 | -164.1 | 69 | 0 | 0 | 0 | 110.9 | W83 V84 I90 F91 | W83-L87 VanDerWaalsContact O-CB 3.24Å; W83-L87 WeakPolarHBondContact O-CB 3.27Å; W83-L87 PolarHBondContact O-N 3.28Å; V84-L87 PolarHBondContact O-N 2.93Å; L87-I90 PolarHBondContact O-N 2.82Å; L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 PolarHBondContact O-N 3.35Å |
| 88 | K | 76.6 | Confident | 70.9 | Confident | 157 Ų | 157 | 110.5 Ų | 110.5 | 68% | 0.683 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | 176.7 | -167 | 173.1 | 175.9 | 74.7 | 0 | 111.6 | V84 S85 L86 F91 W92 | V84-K88 VanDerWaalsContact O-CB 3.29Å; V84-K88 WeakPolarHBondContact O-CB 3.36Å; V84-K88 PolarHBondContact O-N 3.2Å; S85-K88 PolarHBondContact O-N 3.47Å; L86-K88 VanDerWaalsContact C-N 3.34Å; K88-F91 PolarHBondContact O-N 2.94Å; K88-W92 VanDerWaalsContact O-CB 3.3Å; K88-W92 WeakPolarHBondContact O-CB 3.43Å; K88-W92 PolarHBondContact O-N 2.86Å |
| 89 | T | 70.6 | Confident | 69 | Low | 84 Ų | 84 | 105.8 Ų | 105.8 | 52% | 0.515 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 173.9 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | S85 L86 W92 S93 | S85-T89 PolarHBondContact O-N 2.97Å; S85-T89 PolarHBondContact O-OG1 2.95Å; L86-T89 PolarHBondContact O-OG1 2.78Å; T89-W92 PolarHBondContact O-N 2.88Å; T89-S93 WeakPolarHBondContact O-CB 3.42Å; T89-S93 PolarHBondContact O-N 3.31Å |
| 90 | I | 69.7 | Low | 67.2 | Low | 53 Ų | 53 | 105.9 Ų | 105.9 | 27% | 0.272 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.1 | -37.6 | 175.6 | -69 | 167.3 | 0 | 0 | 0 | 112.4 | L86 L87 S93 R94 | L86-I90 HydrophobicContact CD1-CD1 4.08Å; L86-I90 HydrophobicContact CG-CD1 3.88Å; L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 WeakPolarHBondContact O-CD1 3.42Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 3.47Å; L87-I90 PolarHBondContact O-N 2.82Å; I90-S93 PolarHBondContact O-OG 3.15Å; I90-R94 PolarHBondContact O-N 3.11Å |
| 91 | F | 59.4 | Low | 65.3 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 44% | 0.439 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.8 | -37.7 | 177.6 | -118.6 | -83.2 | 0 | 0 | 0 | 112.2 | L87 K88 S93 R94 N95 | L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 PolarHBondContact O-N 3.35Å; K88-F91 PolarHBondContact O-N 2.94Å; F91-S93 VanDerWaalsContact C-N 3.34Å; F91-R94 PolarHBondContact O-N 3.43Å; F91-R94 VanDerWaalsContact O-N 3.08Å; F91-N95 PolarHBondContact O-N 2.86Å |
| 92 | W | 51.3 | Low | 63.5 | Low | 214 Ų | 214 | 102.1 Ų | 102.1 | 81% | 0.811 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.4 | -36.5 | 177.2 | -150.3 | 28.1 | 0 | 0 | 0 | 111.4 | K88 T89 R94 G96 | K88-W92 VanDerWaalsContact O-CB 3.3Å; K88-W92 WeakPolarHBondContact O-CB 3.43Å; K88-W92 PolarHBondContact O-N 2.86Å; T89-W92 PolarHBondContact O-N 2.88Å; W92-R94 PolarHBondContact O-N 3.11Å; W92-G96 PolarHBondContact O-N 3.1Å |
| 93 | S | 51.9 | Low | 61.6 | Low | 79 Ų | 79 | 102.5 Ų | 102.5 | 55% | 0.552 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.4 | -9.2 | 172.2 | 93.7 | 0 | 0 | 0 | 0 | 114.4 | T89 I90 F91 | T89-S93 WeakPolarHBondContact O-CB 3.42Å; T89-S93 PolarHBondContact O-N 3.31Å; I90-S93 PolarHBondContact O-OG 3.15Å; F91-S93 VanDerWaalsContact C-N 3.34Å |
| 94 | R | 46.9 | Very low | 59.8 | Low | 131 Ų | 131 | 100.9 Ų | 100.9 | 49% | 0.494 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -103.2 | -42.3 | 176.1 | -175.8 | 146 | 59.5 | -170.1 | -0.3 | 112.1 | I90 F91 W92 G96 | I90-R94 PolarHBondContact O-N 3.11Å; F91-R94 PolarHBondContact O-N 3.43Å; F91-R94 VanDerWaalsContact O-N 3.08Å; W92-R94 PolarHBondContact O-N 3.11Å; R94-G96 VanDerWaalsContact C-N 3.28Å; R94-G96 PolarHBondContact O-N 3.46Å |
| 95 | N | 46.5 | Very low | 58.2 | Low | 121 Ų | 121 | 102.5 Ų | 102.5 | 65% | 0.647 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -77 | -12.5 | -179.3 | -69.6 | 18.8 | 0 | 0 | 0 | 113.6 | F91 | F91-N95 PolarHBondContact O-N 2.86Å |
| 96 | G | 48.1 | Very low | 56.6 | Low | 55 Ų | 55 | 109 Ų | 109 | 57% | 0.567 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -6.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | W92 R94 | W92-G96 PolarHBondContact O-N 3.1Å; R94-G96 VanDerWaalsContact C-N 3.28Å; R94-G96 PolarHBondContact O-N 3.46Å |
| 97 | H | 50 | Low | 55.1 | Low | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -117.5 | -11.3 | -166.8 | -91.5 | -51.5 | 0 | 0 | 0 | 117.2 | G99 T101 | H97-G99 VanDerWaalsContact C-N 3.34Å; H97-G99 PolarHBondContact O-N 2.92Å; H97-T101 PolarHBondContact O-OG1 3.42Å |
| 98 | D | 46.4 | Very low | 53.4 | Low | 135 Ų | 135 | 110.8 Ų | 110.8 | 72% | 0.722 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -9.1 | -172.8 | -67.4 | -16.1 | 0 | 0 | 0 | 114 | ||
| 99 | G | 48.6 | Very low | 52.1 | Low | 69 Ų | 69 | 112 Ų | 112 | 71% | 0.711 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -22.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | H97 | H97-G99 VanDerWaalsContact C-N 3.34Å; H97-G99 PolarHBondContact O-N 2.92Å |
| 100 | S | 49.4 | Very low | 50.9 | Low | 76 Ų | 76 | 112.1 Ų | 112.1 | 53% | 0.531 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.4 | -20.5 | -169.8 | -173.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 101 | T | 52.6 | Low | 50 | Low | 79 Ų | 79 | 114.2 Ų | 114.2 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -77.1 | -33 | -174.5 | 46.3 | 0 | 0 | 0 | 0 | 113.4 | H97 Q105 | H97-T101 PolarHBondContact O-OG1 3.42Å; T101-Q105 WeakPolarHBondContact O-CB 3.44Å; T101-Q105 PolarHBondContact O-N 3.45Å |
| 102 | D | 52.2 | Low | 49.4 | Very low | 84 Ų | 84 | 117.1 Ų | 117.1 | 45% | 0.449 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.6 | -43.2 | 180 | -163.6 | -98 | 0 | 0 | 0 | 112.4 | Q105 R106 | D102-Q105 PolarHBondContact O-N 3.4Å; D102-R106 WeakPolarHBondContact O-CB 3.46Å; D102-R106 PolarHBondContact O-N 3.34Å; D102-R106 IonicContact OD1-CZ 2.72Å; D102-R106 IonicContact OD1-NE 3.51Å; D102-R106 PolarHBondContact OD1-NE 2.89Å; D102-R106 IonicContact OD1-NH2 3.18Å; D102-R106 PolarHBondContact OD1-NH2 3.41Å |
| 103 | V | 52.9 | Low | 49.4 | Very low | 106 Ų | 106 | 117.5 Ų | 117.5 | 64% | 0.642 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.3 | -44.5 | 178.5 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | R106 A107 | V103-R106 PolarHBondContact O-N 3.17Å; V103-A107 WeakPolarHBondContact O-CB 3.32Å; V103-A107 PolarHBondContact O-N 3.5Å |
| 104 | Q | 50.1 | Low | 49.2 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 66% | 0.659 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.3 | -45.1 | 174.2 | -78.4 | -86.4 | -47.1 | 0 | 0 | 111.5 | A107 W108 | Q104-A107 PolarHBondContact O-N 2.86Å; Q104-W108 WeakPolarHBondContact O-CB 3.43Å; Q104-W108 PolarHBondContact O-N 3.46Å |
| 105 | Q | 50.5 | Low | 49 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.5 | -31.4 | -177.8 | -167.5 | 160.6 | -67.5 | 0 | 0 | 112.9 | T101 D102 R109 | T101-Q105 WeakPolarHBondContact O-CB 3.44Å; T101-Q105 PolarHBondContact O-N 3.45Å; D102-Q105 PolarHBondContact O-N 3.4Å; Q105-R109 WeakPolarHBondContact O-CG 3.41Å; Q105-R109 PolarHBondContact O-N 2.86Å; Q105-R109 VanDerWaalsContact O-N 3.09Å |
| 106 | R | 51.6 | Low | 49.1 | Very low | 178 Ų | 178 | 125.6 Ų | 125.6 | 67% | 0.672 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.9 | -43.6 | 173.1 | -162.3 | 178.8 | -60.7 | -150.7 | 2 | 111.5 | D102 V103 S110 | D102-R106 WeakPolarHBondContact O-CB 3.46Å; D102-R106 PolarHBondContact O-N 3.34Å; D102-R106 IonicContact OD1-CZ 2.72Å; D102-R106 IonicContact OD1-NE 3.51Å; D102-R106 PolarHBondContact OD1-NE 2.89Å; D102-R106 IonicContact OD1-NH2 3.18Å; D102-R106 PolarHBondContact OD1-NH2 3.41Å; V103-R106 PolarHBondContact O-N 3.17Å; R106-S110 PolarHBondContact O-N 3.21Å |
| 107 | A | 49.1 | Very low | 49.2 | Very low | 62 Ų | 62 | 126.2 Ų | 126.2 | 51% | 0.512 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.9 | -42.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V103 Q104 R109 S110 N111 | V103-A107 WeakPolarHBondContact O-CB 3.32Å; V103-A107 PolarHBondContact O-N 3.5Å; Q104-A107 PolarHBondContact O-N 2.86Å; A107-R109 PolarHBondContact O-N 2.94Å; A107-S110 PolarHBondContact O-N 3.44Å; A107-N111 PolarHBondContact O-N 2.91Å; A107-N111 VanDerWaalsContact O-N 3.12Å |
| 108 | W | 46.3 | Very low | 48.9 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67 | -37.5 | -179 | -153.4 | 86 | 0 | 0 | 0 | 112.9 | Q104 S110 N111 R112 | Q104-W108 WeakPolarHBondContact O-CB 3.43Å; Q104-W108 PolarHBondContact O-N 3.46Å; W108-S110 VanDerWaalsContact C-N 3.34Å; W108-N111 PolarHBondContact O-N 3.28Å; W108-R112 PolarHBondContact O-N 3.41Å |
| 109 | R | 49.9 | Very low | 49 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.2 | -32.6 | 173.5 | -79.4 | -176.1 | 177.5 | 173.8 | 0.3 | 113.4 | Q105 A107 | Q105-R109 WeakPolarHBondContact O-CG 3.41Å; Q105-R109 PolarHBondContact O-N 2.86Å; Q105-R109 VanDerWaalsContact O-N 3.09Å; A107-R109 PolarHBondContact O-N 2.94Å |
| 110 | S | 46.6 | Very low | 49.1 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.1 | -42.1 | 176.3 | -168 | 0 | 0 | 0 | 0 | 111.8 | R106 A107 W108 R112 R113 | R106-S110 PolarHBondContact O-N 3.21Å; A107-S110 PolarHBondContact O-N 3.44Å; W108-S110 VanDerWaalsContact C-N 3.34Å; S110-R112 VanDerWaalsContact C-N 3.34Å; S110-R112 PolarHBondContact O-N 3.31Å; S110-R113 PolarHBondContact O-N 2.96Å |
| 111 | N | 49.9 | Very low | 48.9 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 52% | 0.519 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.8 | -27 | -177.4 | -146.1 | -14 | 0 | 0 | 0 | 113.2 | A107 W108 R113 R114 Q115 | A107-N111 PolarHBondContact O-N 2.91Å; A107-N111 VanDerWaalsContact O-N 3.12Å; W108-N111 PolarHBondContact O-N 3.28Å; N111-R113 VanDerWaalsContact C-N 3.26Å; N111-R113 PolarHBondContact O-N 3.01Å; N111-R114 PolarHBondContact O-N 3.41Å; N111-Q115 PolarHBondContact O-N 2.94Å |
| 112 | R | 46.8 | Very low | 48.2 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -60.6 | -32.9 | 177.7 | -159.3 | 174.6 | -138 | -172.4 | 3.8 | 113.3 | W108 S110 R114 | W108-R112 PolarHBondContact O-N 3.41Å; S110-R112 VanDerWaalsContact C-N 3.34Å; S110-R112 PolarHBondContact O-N 3.31Å; R112-R114 VanDerWaalsContact C-N 3.32Å; R112-R114 PolarHBondContact O-N 2.96Å |
| 113 | R | 51.3 | Low | 47.9 | Very low | 221 Ų | 221 | 143.3 Ų | 143.3 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -11.4 | 175.8 | -65.4 | -167.7 | -174.4 | -137.9 | 5.4 | 114.3 | S110 N111 | S110-R113 PolarHBondContact O-N 2.96Å; N111-R113 VanDerWaalsContact C-N 3.26Å; N111-R113 PolarHBondContact O-N 3.01Å |
| 114 | R | 48.6 | Very low | 47 | Very low | 203 Ų | 203 | 145.6 Ų | 145.6 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -22.5 | 173.9 | -74.7 | -165.1 | 179.5 | -148.3 | 1.8 | 113.7 | N111 R112 | N111-R114 PolarHBondContact O-N 3.41Å; R112-R114 VanDerWaalsContact C-N 3.32Å; R112-R114 PolarHBondContact O-N 2.96Å |
| 115 | Q | 42.7 | Very low | 47 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 65% | 0.654 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -80.3 | -11.3 | -179.8 | -74.7 | -147.9 | -21.5 | 0 | 0 | 115.2 | N111 G117 L118 | N111-Q115 PolarHBondContact O-N 2.94Å; Q115-G117 PolarHBondContact O-N 2.95Å; Q115-L118 PolarHBondContact O-N 2.76Å |
| 116 | E | 48.3 | Very low | 46.2 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -68.7 | -18.3 | 173.6 | -73 | 168 | 174.7 | 0 | 0 | 112.5 | ||
| 117 | G | 50.4 | Low | 45.7 | Very low | 67 Ų | 67 | 149.7 Ų | 149.7 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -96.2 | -2.4 | 177 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q115 | Q115-G117 PolarHBondContact O-N 2.95Š|
| 118 | L | 43.7 | Very low | 45.2 | Very low | 145 Ų | 145 | 157.5 Ų | 157.5 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -130.4 | 60.1 | -176.1 | -71.1 | 174.7 | 0 | 0 | 0 | 111.6 | Q115 | Q115-L118 PolarHBondContact O-N 2.76Š| ||
| 119 | R | 47.9 | Very low | 45 | Very low | 239 Ų | 239 | 155.7 Ų | 155.7 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | -92.1 | 15.5 | -179.5 | -109 | -174.1 | -175.8 | -124.2 | 6 | 115.2 | ||||
| 120 | S | 49.7 | Very low | 44.6 | Very low | 93 Ų | 93 | 151.9 Ų | 151.9 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | trans | -135.7 | 150.9 | 174.4 | 59 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 121 | I | 45.4 | Very low | 44.4 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 95.6 | 121.6 | 170.6 | -53.8 | 162.3 | 0 | 0 | 0 | 116.6 | ||
| 122 | C | 39.3 | Very low | 44.1 | Very low | 99 Ų | 99 | 156.7 Ų | 156.7 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | 72.2 | 84.2 | 163.2 | -152.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 123 | M | 44.1 | Very low | 44.2 | Very low | 181 Ų | 181 | 160.7 Ų | 160.7 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | trans | -84.5 | 109.7 | 143.7 | -86.6 | -80.4 | 103.4 | 0 | 0 | 109.2 | ||||
| 124 | H | 35.7 | Very low | 44 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -140.7 | 103.2 | 160.3 | -98.8 | -74.4 | 0 | 0 | 0 | 113.8 | ||||
| 125 | T | 48.5 | Very low | 44.2 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | trans | 39.1 | 95.3 | 141.6 | 54.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 126 | K | 34.5 | Very low | 44.8 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -136.3 | 86.3 | 140.2 | -133.9 | 160.4 | -169.5 | 164.6 | 0 | 110.9 | R128 | K126-R128 PolarHBondContact O-N 2.72Š| ||
| 127 | K | 40.8 | Very low | 45.2 | Very low | 202 Ų | 202 | 147.8 Ų | 147.8 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | trans | -57 | 103.2 | 168.4 | -87 | -178.1 | 175.1 | 175 | 0 | 108.6 | ||||
| 128 | R | 39.8 | Very low | 45.5 | Very low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -97.9 | 99.3 | 153.7 | -75.1 | -165.4 | -176.1 | -122.7 | 5.6 | 108 | K126 S130 | K126-R128 PolarHBondContact O-N 2.72Å; R128-S130 PolarHBondContact O-N 3.5Å; R128-S130 VanDerWaalsContact O-N 3.15Å | ||
| 129 | V | 41.1 | Very low | 46.7 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | trans | -71.8 | 101.9 | 170.6 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 130 | S | 41.6 | Very low | 47.8 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -143.1 | 52.5 | 165.4 | 71.6 | 0 | 0 | 0 | 0 | 110.4 | R128 F132 | R128-S130 PolarHBondContact O-N 3.5Å; R128-S130 VanDerWaalsContact O-N 3.15Å; S130-F132 VanDerWaalsContact C-N 3.26Å; S130-F132 PolarHBondContact O-N 2.81Å | ||
| 131 | S | 43 | Very low | 48.7 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -78.8 | 66.5 | 178.2 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | R133 | S131-R133 PolarHBondContact O-N 3.47Š| ||
| 132 | F | 43.4 | Very low | 50 | Low | 185 Ų | 185 | 138.8 Ų | 138.8 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | trans | -71.5 | 76.6 | 162.6 | -97.4 | -83.4 | 0 | 0 | 0 | 109.9 | S130 G134 | S130-F132 VanDerWaalsContact C-N 3.26Å; S130-F132 PolarHBondContact O-N 2.81Å; F132-G134 PolarHBondContact O-N 3.37Å; F132-G134 VanDerWaalsContact O-N 3.13Å | ||
| 133 | R | 48.1 | Very low | 51.8 | Low | 245 Ų | 245 | 137.4 Ų | 137.4 | 93% | 0.925 | 69% | 0.687 | S | S | * | * | trans | -84.4 | 39 | -178.9 | -160.2 | 179.7 | -176.8 | -112.6 | 6.2 | 112 | S131 | S131-R133 PolarHBondContact O-N 3.47Š| ||
| 134 | G | 46.8 | Very low | 53.6 | Low | 43 Ų | 43 | 133 Ų | 133 | 44% | 0.443 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -113.3 | -57.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F132 K136 | F132-G134 PolarHBondContact O-N 3.37Å; F132-G134 VanDerWaalsContact O-N 3.13Å; G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.91Å |
| 135 | N | 52.9 | Low | 55.6 | Low | 126 Ų | 126 | 130.7 Ų | 130.7 | 67% | 0.674 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -1.9 | -165.4 | -69 | 2 | 0 | 0 | 0 | 116 | I137 L139 | N135-I137 VanDerWaalsContact C-N 3.35Å; N135-I137 PolarHBondContact O-N 2.83Å; N135-L139 WeakPolarHBondContact O-CB 3.34Å; N135-L139 PolarHBondContact O-N 3.38Å |
| 136 | K | 55.5 | Low | 57.2 | Low | 160 Ų | 160 | 130.8 Ų | 130.8 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.7 | -19.6 | -176.9 | -72 | -170.6 | 179.6 | -177.8 | 0 | 114.5 | G134 K140 | G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.91Å; K136-K140 WeakPolarHBondContact O-CD 3.31Å; K136-K140 VanDerWaalsContact O-CG 3.3Å; K136-K140 WeakPolarHBondContact O-CG 3.36Å |
| 137 | I | 56.4 | Low | 59.4 | Low | 122 Ų | 122 | 129.9 Ų | 129.9 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.4 | -60.7 | 176.3 | -62.7 | 171.4 | 0 | 0 | 0 | 108.2 | N135 L139 K140 D141 | N135-I137 VanDerWaalsContact C-N 3.35Å; N135-I137 PolarHBondContact O-N 2.83Å; I137-L139 VanDerWaalsContact C-N 3.3Å; I137-L139 PolarHBondContact O-N 3.1Å; I137-L139 VanDerWaalsContact O-N 3.15Å; I137-K140 WeakPolarHBondContact O-CB 3.4Å; I137-K140 PolarHBondContact O-N 3.09Å; I137-D141 PolarHBondContact O-N 3.33Å; I137-D141 VanDerWaalsContact O-N 3.12Å |
| 138 | V | 57.3 | Low | 61.3 | Low | 94 Ų | 94 | 124.3 Ų | 124.3 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -50.2 | -44.7 | 178.7 | -173.6 | 0 | 0 | 0 | 0 | 113 | K140 D141 V142 | V138-K140 PolarHBondContact O-N 2.81Å; V138-D141 PolarHBondContact O-N 3.19Å; V138-V142 HydrophobicContact CG1-CG2 4.37Å; V138-V142 WeakPolarHBondContact O-CB 3.1Å; V138-V142 VanDerWaalsContact O-CG2 3.29Å; V138-V142 WeakPolarHBondContact O-CG2 3.01Å; V138-V142 PolarHBondContact O-N 2.89Å |
| 139 | L | 67.8 | Low | 63.4 | Low | 109 Ų | 109 | 117.2 Ų | 117.2 | 57% | 0.571 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.6 | -36.5 | 179.8 | -176.9 | 61.2 | 0 | 0 | 0 | 112.9 | N135 I137 I143 | N135-L139 WeakPolarHBondContact O-CB 3.34Å; N135-L139 PolarHBondContact O-N 3.38Å; I137-L139 VanDerWaalsContact C-N 3.3Å; I137-L139 PolarHBondContact O-N 3.1Å; I137-L139 VanDerWaalsContact O-N 3.15Å; L139-I143 HydrophobicContact CD1-CD1 4.1Å; L139-I143 HydrophobicContact CD1-CG1 4.39Å; L139-I143 HydrophobicContact CG-CD1 3.94Å; L139-I143 WeakPolarHBondContact O-CB 3.09Å; L139-I143 WeakPolarHBondContact O-CD1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.49Å; L139-I143 PolarHBondContact O-N 2.92Å |
| 140 | K | 71.2 | Confident | 65.2 | Low | 143 Ų | 143 | 114 Ų | 114 | 62% | 0.622 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.2 | -45.2 | 175.1 | -75.2 | 175.6 | 178.9 | -175 | 0 | 110.6 | K136 I137 V138 V142 I143 T144 | K136-K140 WeakPolarHBondContact O-CD 3.31Å; K136-K140 VanDerWaalsContact O-CG 3.3Å; K136-K140 WeakPolarHBondContact O-CG 3.36Å; I137-K140 WeakPolarHBondContact O-CB 3.4Å; I137-K140 PolarHBondContact O-N 3.09Å; V138-K140 PolarHBondContact O-N 2.81Å; K140-V142 PolarHBondContact O-N 3.44Å; K140-I143 PolarHBondContact O-N 3.08Å; K140-T144 WeakPolarHBondContact O-CB 3.28Å; K140-T144 PolarHBondContact O-N 3.46Å; K140-T144 PolarHBondContact O-OG1 3.33Å |
| 141 | D | 70.3 | Confident | 67.3 | Low | 95 Ų | 95 | 113.1 Ų | 113.1 | 51% | 0.508 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.9 | -40.9 | -177.5 | -58.4 | -31.2 | 0 | 0 | 0 | 111.1 | I137 V138 I143 T144 L145 | I137-D141 PolarHBondContact O-N 3.33Å; I137-D141 VanDerWaalsContact O-N 3.12Å; V138-D141 PolarHBondContact O-N 3.19Å; D141-I143 PolarHBondContact O-N 2.74Å; D141-T144 PolarHBondContact O-N 2.93Å; D141-L145 VanDerWaalsContact O-CB 3.26Å; D141-L145 WeakPolarHBondContact O-CB 3.37Å; D141-L145 PolarHBondContact O-N 2.97Å |
| 142 | V | 71.8 | Confident | 69.3 | Low | 81 Ų | 81 | 114.6 Ų | 114.6 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -42.8 | 172.2 | 170.6 | 0 | 0 | 0 | 0 | 112 | V138 K140 R146 | V138-V142 HydrophobicContact CG1-CG2 4.37Å; V138-V142 WeakPolarHBondContact O-CB 3.1Å; V138-V142 VanDerWaalsContact O-CG2 3.29Å; V138-V142 WeakPolarHBondContact O-CG2 3.01Å; V138-V142 PolarHBondContact O-N 2.89Å; K140-V142 PolarHBondContact O-N 3.44Å; V142-R146 WeakPolarHBondContact O-CB 3.46Å; V142-R146 PolarHBondContact O-N 3.47Å |
| 143 | I | 77.4 | Confident | 71.4 | Confident | 71 Ų | 71 | 109.4 Ų | 109.4 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 176.5 | -70.3 | 165.9 | 0 | 0 | 0 | 111.3 | L139 K140 D141 R146 R147 | L139-I143 HydrophobicContact CD1-CD1 4.1Å; L139-I143 HydrophobicContact CD1-CG1 4.39Å; L139-I143 HydrophobicContact CG-CD1 3.94Å; L139-I143 WeakPolarHBondContact O-CB 3.09Å; L139-I143 WeakPolarHBondContact O-CD1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.49Å; L139-I143 PolarHBondContact O-N 2.92Å; K140-I143 PolarHBondContact O-N 3.08Å; D141-I143 PolarHBondContact O-N 2.74Å; I143-R146 PolarHBondContact O-N 3.33Å; I143-R147 WeakPolarHBondContact O-CG 3.47Å; I143-R147 PolarHBondContact O-N 3.07Å |
| 144 | T | 80.9 | Confident | 73 | Confident | 88 Ų | 88 | 104.3 Ų | 104.3 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.4 | -44.4 | -179.9 | -47.2 | 0 | 0 | 0 | 0 | 110.7 | K140 D141 R147 H148 | K140-T144 WeakPolarHBondContact O-CB 3.28Å; K140-T144 PolarHBondContact O-N 3.46Å; K140-T144 PolarHBondContact O-OG1 3.33Å; D141-T144 PolarHBondContact O-N 2.93Å; T144-R147 PolarHBondContact O-N 3.36Å; T144-H148 PolarHBondContact O-N 3.05Å |
| 145 | L | 77.5 | Confident | 74.5 | Confident | 106 Ų | 106 | 104.5 Ų | 104.5 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61 | -44.5 | 173.6 | -176.2 | 61.6 | 0 | 0 | 0 | 111.5 | D141 R147 H148 V149 | D141-L145 VanDerWaalsContact O-CB 3.26Å; D141-L145 WeakPolarHBondContact O-CB 3.37Å; D141-L145 PolarHBondContact O-N 2.97Å; L145-R147 PolarHBondContact O-N 2.9Å; L145-H148 PolarHBondContact O-N 3.44Å; L145-V149 HydrophobicContact CD1-CG2 4.4Å; L145-V149 WeakPolarHBondContact O-CG2 3.49Å; L145-V149 PolarHBondContact O-N 3.23Å |
| 146 | R | 82.5 | Confident | 75.9 | Confident | 126 Ų | 126 | 106.4 Ų | 106.4 | 48% | 0.475 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57 | -46.7 | 174.6 | -177.1 | -175.8 | -176 | -81.1 | 5 | 111.8 | V142 I143 V149 E150 | V142-R146 WeakPolarHBondContact O-CB 3.46Å; V142-R146 PolarHBondContact O-N 3.47Å; I143-R146 PolarHBondContact O-N 3.33Å; R146-V149 PolarHBondContact O-N 2.93Å; R146-E150 IonicContact CZ-OE1 2.78Å; R146-E150 IonicContact NE-OE1 2.76Å; R146-E150 IonicContact NH1-OE1 2.63Å; R146-E150 PolarHBondContact NH1-OE1 2.86Å; R146-E150 IonicContact NH2-OE1 3.14Å; R146-E150 WeakPolarHBondContact O-CB 3.43Å; R146-E150 PolarHBondContact O-N 3.48Å |
| 147 | R | 82.3 | Confident | 77.1 | Confident | 178 Ų | 178 | 103.8 Ų | 103.8 | 67% | 0.672 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | 176.3 | -74.3 | 174.6 | 177.5 | -169.9 | -1.1 | 112 | I143 T144 L145 E150 T151 | I143-R147 WeakPolarHBondContact O-CG 3.47Å; I143-R147 PolarHBondContact O-N 3.07Å; T144-R147 PolarHBondContact O-N 3.36Å; L145-R147 PolarHBondContact O-N 2.9Å; R147-E150 PolarHBondContact O-N 3.4Å; R147-T151 WeakPolarHBondContact O-CG2 3.32Å; R147-T151 PolarHBondContact O-N 3.5Å; R147-T151 PolarHBondContact O-OG1 3.25Å |
| 148 | H | 79.4 | Confident | 78.1 | Confident | 86 Ų | 86 | 107 Ų | 107 | 40% | 0.398 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -37.4 | 178.7 | 167.3 | -113.5 | 0 | 0 | 0 | 113.4 | T144 L145 T151 K152 | T144-H148 PolarHBondContact O-N 3.05Å; L145-H148 PolarHBondContact O-N 3.44Å; H148-T151 PolarHBondContact O-OG1 2.87Å; H148-K152 PolarHBondContact CE1-NZ 3.42Å; H148-K152 VanDerWaalsContact CE1-NZ 3.31Å; H148-K152 WeakPolarHBondContact NE2-CE 3.3Å; H148-K152 PolarHBondContact NE2-NZ 3.29Å; H148-K152 PolarHBondContact O-N 2.8Å; H148-K152 VanDerWaalsContact O-N 3.14Å |
| 149 | V | 85.1 | Confident | 78.9 | Confident | 77 Ų | 77 | 110.1 Ų | 110.1 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 173 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | L145 R146 T151 K152 V153 | L145-V149 HydrophobicContact CD1-CG2 4.4Å; L145-V149 WeakPolarHBondContact O-CG2 3.49Å; L145-V149 PolarHBondContact O-N 3.23Å; R146-V149 PolarHBondContact O-N 2.93Å; V149-T151 PolarHBondContact O-N 3.18Å; V149-K152 PolarHBondContact O-N 2.93Å; V149-V153 HydrophobicContact CG1-CG2 4.29Å; V149-V153 WeakPolarHBondContact O-CB 3.28Å; V149-V153 WeakPolarHBondContact O-CG2 3.24Å; V149-V153 PolarHBondContact O-N 3.36Å |
| 150 | E | 78.7 | Confident | 79.1 | Confident | 56 Ų | 56 | 114 Ų | 114 | 26% | 0.262 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.7 | -84.3 | -166.8 | -131.7 | 0 | 0 | 113 | R146 R147 V153 R154 | R146-E150 IonicContact CZ-OE1 2.78Å; R146-E150 IonicContact NE-OE1 2.76Å; R146-E150 IonicContact NH1-OE1 2.63Å; R146-E150 PolarHBondContact NH1-OE1 2.86Å; R146-E150 IonicContact NH2-OE1 3.14Å; R146-E150 WeakPolarHBondContact O-CB 3.43Å; R146-E150 PolarHBondContact O-N 3.48Å; R147-E150 PolarHBondContact O-N 3.4Å; E150-V153 PolarHBondContact O-N 3.03Å; E150-R154 WeakPolarHBondContact O-CB 3.26Å; E150-R154 WeakPolarHBondContact O-CG 3.42Å; E150-R154 PolarHBondContact O-N 2.77Å; E150-R154 IonicContact OE2-CZ 3.56Å; E150-R154 IonicContact OE2-NE 3.41Å; E150-R154 IonicContact OE2-NH2 3.98Å; E150-R154 PolarHBondContact OE2-NH2 2.93Å |
| 151 | T | 85.6 | Confident | 79.1 | Confident | 84 Ų | 84 | 114.2 Ų | 114.2 | 52% | 0.515 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 177.9 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | R147 H148 V149 R154 A155 | R147-T151 WeakPolarHBondContact O-CG2 3.32Å; R147-T151 PolarHBondContact O-N 3.5Å; R147-T151 PolarHBondContact O-OG1 3.25Å; H148-T151 PolarHBondContact O-OG1 2.87Å; V149-T151 PolarHBondContact O-N 3.18Å; T151-R154 PolarHBondContact O-N 3.43Å; T151-A155 VanDerWaalsContact O-CB 3.25Å; T151-A155 WeakPolarHBondContact O-CB 3.31Å; T151-A155 PolarHBondContact O-N 2.74Å |
| 152 | K | 84.8 | Confident | 79 | Confident | 132 Ų | 132 | 113.6 Ų | 113.6 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 173.8 | -81.9 | -177.1 | 167.3 | 166.7 | 0 | 112.6 | H148 V149 A155 K156 | H148-K152 PolarHBondContact CE1-NZ 3.42Å; H148-K152 VanDerWaalsContact CE1-NZ 3.31Å; H148-K152 WeakPolarHBondContact NE2-CE 3.3Å; H148-K152 PolarHBondContact NE2-NZ 3.29Å; H148-K152 PolarHBondContact O-N 2.8Å; H148-K152 VanDerWaalsContact O-N 3.14Å; V149-K152 PolarHBondContact O-N 2.93Å; K152-A155 PolarHBondContact O-N 3.45Å; K152-K156 WeakPolarHBondContact O-CB 3.49Å; K152-K156 PolarHBondContact O-N 3.44Å |
| 153 | V | 87.1 | Confident | 78.3 | Confident | 76 Ų | 76 | 113.3 Ų | 113.3 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 111 | V149 E150 A155 K156 I157 | V149-V153 HydrophobicContact CG1-CG2 4.29Å; V149-V153 WeakPolarHBondContact O-CB 3.28Å; V149-V153 WeakPolarHBondContact O-CG2 3.24Å; V149-V153 PolarHBondContact O-N 3.36Å; E150-V153 PolarHBondContact O-N 3.03Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.1Å; V153-K156 PolarHBondContact O-N 2.86Å; V153-I157 HydrophobicContact CG1-CD1 3.75Å; V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 WeakPolarHBondContact O-CG1 3.35Å; V153-I157 PolarHBondContact O-N 3.05Å |
| 154 | R | 81.1 | Confident | 77.5 | Confident | 137 Ų | 137 | 114.2 Ų | 114.2 | 52% | 0.517 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 176.3 | -70.2 | 173.5 | -166.7 | -146.9 | 11.4 | 111.8 | E150 T151 I157 R158 | E150-R154 WeakPolarHBondContact O-CB 3.26Å; E150-R154 WeakPolarHBondContact O-CG 3.42Å; E150-R154 PolarHBondContact O-N 2.77Å; E150-R154 IonicContact OE2-CZ 3.56Å; E150-R154 IonicContact OE2-NE 3.41Å; E150-R154 IonicContact OE2-NH2 3.98Å; E150-R154 PolarHBondContact OE2-NH2 2.93Å; T151-R154 PolarHBondContact O-N 3.43Å; R154-I157 PolarHBondContact O-N 2.83Å; R154-R158 WeakPolarHBondContact O-CB 3.33Å; R154-R158 WeakPolarHBondContact O-CG 3.37Å; R154-R158 PolarHBondContact O-N 3.37Å |
| 155 | A | 79.9 | Confident | 76.3 | Confident | 47 Ų | 47 | 117.3 Ų | 117.3 | 39% | 0.388 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | T151 K152 V153 R158 K159 | T151-A155 VanDerWaalsContact O-CB 3.25Å; T151-A155 WeakPolarHBondContact O-CB 3.31Å; T151-A155 PolarHBondContact O-N 2.74Å; K152-A155 PolarHBondContact O-N 3.45Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.1Å; A155-R158 PolarHBondContact O-N 2.85Å; A155-K159 WeakPolarHBondContact O-CB 3.19Å; A155-K159 WeakPolarHBondContact O-CG 3.33Å; A155-K159 PolarHBondContact O-N 3.3Å |
| 156 | K | 81.4 | Confident | 75.3 | Confident | 167 Ų | 167 | 117.6 Ų | 117.6 | 73% | 0.726 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.2 | -37.5 | 177.4 | -156.2 | 167 | -172.7 | 174.7 | 0 | 112 | K152 V153 R160 | K152-K156 WeakPolarHBondContact O-CB 3.49Å; K152-K156 PolarHBondContact O-N 3.44Å; V153-K156 PolarHBondContact O-N 2.86Å; K156-R160 VanDerWaalsContact O-CB 3.3Å; K156-R160 WeakPolarHBondContact O-CB 3.27Å; K156-R160 PolarHBondContact O-N 2.97Å |
| 157 | I | 80.3 | Confident | 73.9 | Confident | 105 Ų | 105 | 117.2 Ų | 117.2 | 54% | 0.538 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.8 | -45.3 | 171.7 | -68.1 | 167.7 | 0 | 0 | 0 | 110.9 | V153 R154 R160 K161 | V153-I157 HydrophobicContact CG1-CD1 3.75Å; V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 WeakPolarHBondContact O-CG1 3.35Å; V153-I157 PolarHBondContact O-N 3.05Å; R154-I157 PolarHBondContact O-N 2.83Å; I157-R160 PolarHBondContact O-N 3.3Å; I157-K161 WeakPolarHBondContact O-CB 3.29Å; I157-K161 PolarHBondContact O-N 2.97Å |
| 158 | R | 77.1 | Confident | 72.6 | Confident | 190 Ų | 190 | 116.4 Ų | 116.4 | 72% | 0.717 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.9 | -49.2 | 175.8 | -76.3 | 177 | 179.2 | -178.9 | -1.9 | 111.3 | R154 A155 R160 K161 V162 | R154-R158 WeakPolarHBondContact O-CB 3.33Å; R154-R158 WeakPolarHBondContact O-CG 3.37Å; R154-R158 PolarHBondContact O-N 3.37Å; A155-R158 PolarHBondContact O-N 2.85Å; R158-R160 PolarHBondContact O-N 3.19Å; R158-K161 PolarHBondContact O-N 3.4Å; R158-V162 WeakPolarHBondContact O-CB 3.45Å; R158-V162 WeakPolarHBondContact O-CG2 3.34Å; R158-V162 PolarHBondContact O-N 2.92Å |
| 159 | K | 75.7 | Confident | 71.4 | Confident | 158 Ų | 158 | 120 Ų | 120 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -56.5 | -46.6 | 174.4 | -75.5 | -171.8 | 176.7 | -167.6 | 0 | 111.5 | A155 K161 V162 T163 | A155-K159 WeakPolarHBondContact O-CB 3.19Å; A155-K159 WeakPolarHBondContact O-CG 3.33Å; A155-K159 PolarHBondContact O-N 3.3Å; K159-K161 PolarHBondContact O-N 3.33Å; K159-V162 PolarHBondContact O-N 2.83Å; K159-T163 WeakPolarHBondContact O-CG2 3.3Å; K159-T163 PolarHBondContact O-N 2.81Å; K159-T163 PolarHBondContact O-OG1 2.94Å |
| 160 | R | 70.5 | Confident | 69.8 | Low | 190 Ų | 190 | 121.8 Ų | 121.8 | 72% | 0.717 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.4 | -41.6 | 176.1 | -169.5 | 178.1 | -176.9 | -171.7 | 1.3 | 112.6 | K156 I157 R158 T163 T164 | K156-R160 VanDerWaalsContact O-CB 3.3Å; K156-R160 WeakPolarHBondContact O-CB 3.27Å; K156-R160 PolarHBondContact O-N 2.97Å; I157-R160 PolarHBondContact O-N 3.3Å; R158-R160 PolarHBondContact O-N 3.19Å; R160-T163 PolarHBondContact O-N 3.32Å; R160-T163 PolarHBondContact O-OG1 2.98Å; R160-T163 VanDerWaalsContact O-OG1 3.13Å; R160-T164 WeakPolarHBondContact O-CB 3.44Å; R160-T164 PolarHBondContact O-N 3.01Å; R160-T164 PolarHBondContact O-OG1 2.84Å |
| 161 | K | 72.8 | Confident | 68.6 | Low | 149 Ų | 149 | 129.1 Ų | 129.1 | 65% | 0.648 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.9 | -35.8 | 177.7 | -167.9 | 173.1 | -176 | 177.6 | 0 | 111.9 | I157 R158 K159 K165 | I157-K161 WeakPolarHBondContact O-CB 3.29Å; I157-K161 PolarHBondContact O-N 2.97Å; R158-K161 PolarHBondContact O-N 3.4Å; K159-K161 PolarHBondContact O-N 3.33Å; K161-K165 PolarHBondContact O-N 3.41Å |
| 162 | V | 67.6 | Low | 67.2 | Low | 81 Ų | 81 | 129.2 Ų | 129.2 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.9 | -48.4 | 173 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | R158 K159 T164 K165 I166 | R158-V162 WeakPolarHBondContact O-CB 3.45Å; R158-V162 WeakPolarHBondContact O-CG2 3.34Å; R158-V162 PolarHBondContact O-N 2.92Å; K159-V162 PolarHBondContact O-N 2.83Å; V162-T164 VanDerWaalsContact C-N 3.31Å; V162-T164 PolarHBondContact O-N 3.32Å; V162-K165 PolarHBondContact O-N 3.46Å; V162-K165 VanDerWaalsContact O-N 3.11Å; V162-I166 HydrophobicContact CG1-CD1 3.73Å; V162-I166 HydrophobicContact CG1-CG1 4.41Å; V162-I166 WeakPolarHBondContact O-CG1 3.24Å; V162-I166 PolarHBondContact O-N 3.45Å |
| 163 | T | 57.8 | Low | 65.7 | Low | 75 Ų | 75 | 129.1 Ų | 129.1 | 46% | 0.46 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.9 | -32 | 176.9 | 58 | 0 | 0 | 0 | 0 | 112.7 | K159 R160 N167 | K159-T163 WeakPolarHBondContact O-CG2 3.3Å; K159-T163 PolarHBondContact O-N 2.81Å; K159-T163 PolarHBondContact O-OG1 2.94Å; R160-T163 PolarHBondContact O-N 3.32Å; R160-T163 PolarHBondContact O-OG1 2.98Å; R160-T163 VanDerWaalsContact O-OG1 3.13Å; T163-N167 WeakPolarHBondContact O-CB 3.27Å; T163-N167 PolarHBondContact O-N 2.88Å; T163-N167 PolarHBondContact O-ND2 3.05Å |
| 164 | T | 59.3 | Low | 64 | Low | 90 Ų | 90 | 127.8 Ų | 127.8 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.1 | -38.2 | 170.3 | -59 | 0 | 0 | 0 | 0 | 112.3 | R160 V162 H168 | R160-T164 WeakPolarHBondContact O-CB 3.44Å; R160-T164 PolarHBondContact O-N 3.01Å; R160-T164 PolarHBondContact O-OG1 2.84Å; V162-T164 VanDerWaalsContact C-N 3.31Å; V162-T164 PolarHBondContact O-N 3.32Å; T164-H168 PolarHBondContact O-N 3.29Å |
| 165 | K | 55.7 | Low | 62.7 | Low | 153 Ų | 153 | 130.2 Ų | 130.2 | 67% | 0.665 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.2 | -42.6 | 172.4 | -88 | -162.9 | 166.5 | -160.2 | 0 | 112.5 | K161 V162 N167 H168 | K161-K165 PolarHBondContact O-N 3.41Å; V162-K165 PolarHBondContact O-N 3.46Å; V162-K165 VanDerWaalsContact O-N 3.11Å; K165-N167 VanDerWaalsContact C-N 3.33Å; K165-N167 PolarHBondContact O-N 2.88Å; K165-H168 WeakPolarHBondContact O-CB 3.42Å; K165-H168 PolarHBondContact O-N 3.37Å |
| 166 | I | 56.8 | Low | 61.5 | Low | 112 Ų | 112 | 138.5 Ų | 138.5 | 57% | 0.574 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61 | -43.3 | 177.1 | -67.6 | 165.9 | 0 | 0 | 0 | 110.4 | V162 H168 H169 | V162-I166 HydrophobicContact CG1-CD1 3.73Å; V162-I166 HydrophobicContact CG1-CG1 4.41Å; V162-I166 WeakPolarHBondContact O-CG1 3.24Å; V162-I166 PolarHBondContact O-N 3.45Å; I166-H168 PolarHBondContact O-N 3.35Å; I166-H168 VanDerWaalsContact O-N 3.08Å; I166-H169 PolarHBondContact O-N 3.23Å |
| 167 | N | 53.3 | Low | 60.2 | Low | 118 Ų | 118 | 136.7 Ų | 136.7 | 63% | 0.631 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -2.1 | 174.9 | -83.1 | -89 | 0 | 0 | 0 | 114.9 | T163 K165 | T163-N167 WeakPolarHBondContact O-CB 3.27Å; T163-N167 PolarHBondContact O-N 2.88Å; T163-N167 PolarHBondContact O-ND2 3.05Å; K165-N167 VanDerWaalsContact C-N 3.33Å; K165-N167 PolarHBondContact O-N 2.88Å |
| 168 | H | 55.4 | Low | 59.3 | Low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.745 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -8.3 | 176.4 | -157.7 | 60.8 | 0 | 0 | 0 | 113.5 | T164 K165 I166 | T164-H168 PolarHBondContact O-N 3.29Å; K165-H168 WeakPolarHBondContact O-CB 3.42Å; K165-H168 PolarHBondContact O-N 3.37Å; I166-H168 PolarHBondContact O-N 3.35Å; I166-H168 VanDerWaalsContact O-N 3.08Å |
| 169 | H | 53.2 | Low | 58.9 | Low | 162 Ų | 162 | 129.2 Ų | 129.2 | 75% | 0.75 | 63% | 0.63 | S | S | * | * | trans | -93.8 | -6.7 | 178.2 | -91.6 | -81.3 | 0 | 0 | 0 | 115 | I166 K171 | I166-H169 PolarHBondContact O-N 3.23Å; H169-K171 VanDerWaalsContact C-N 3.34Å; H169-K171 PolarHBondContact O-N 3.39Å | ||
| 170 | D | 52.8 | Low | 58.9 | Low | 115 Ų | 115 | 130.4 Ų | 130.4 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | trans | -65.5 | 96.1 | 163.1 | -80.7 | -6.1 | 0 | 0 | 0 | 109.1 | I172 | D170-I172 HydrophobicContact CB-CG1 4.24Å; D170-I172 WeakPolarHBondContact O-CG1 3.49Å; D170-I172 PolarHBondContact O-N 2.9Å | ||
| 171 | K | 52.5 | Low | 59.1 | Low | 209 Ų | 209 | 128.8 Ų | 128.8 | 91% | 0.909 | 63% | 0.629 | S | S | * | * | trans | -63.6 | 76.1 | 163.9 | -80.8 | -176.5 | 176.4 | 176.9 | 0 | 109.1 | H169 N173 | H169-K171 VanDerWaalsContact C-N 3.34Å; H169-K171 PolarHBondContact O-N 3.39Å; K171-N173 PolarHBondContact O-N 3.21Å | ||
| 172 | I | 56.1 | Low | 59.1 | Low | 86 Ų | 86 | 127.3 Ų | 127.3 | 44% | 0.441 | 62% | 0.624 | S | S | . | * | trans | -57.7 | 111.3 | 175.6 | -72.8 | 152.2 | 0 | 0 | 0 | 108 | D170 G174 K177 | D170-I172 HydrophobicContact CB-CG1 4.24Å; D170-I172 WeakPolarHBondContact O-CG1 3.49Å; D170-I172 PolarHBondContact O-N 2.9Å; I172-G174 WeakPolarHBondContact O-CA 3.41Å; I172-G174 PolarHBondContact O-N 3.42Å; I172-K177 HydrophobicContact CG2-CD 3.54Å; I172-K177 HydrophobicContact CG2-CG 3.81Å | ||
| 173 | N | 54.3 | Low | 60.1 | Low | 130 Ų | 130 | 130.2 Ų | 130.2 | 70% | 0.695 | 63% | 0.63 | S | S | * | * | trans | -54.6 | 101.8 | 178.2 | -164.9 | -22.9 | 0 | 0 | 0 | 110.2 | K171 K175 R176 | K171-N173 PolarHBondContact O-N 3.21Å; N173-K175 PolarHBondContact O-N 3.47Å; N173-R176 PolarHBondContact O-N 3.02Å | ||
| 174 | G | 51.5 | Low | 61.5 | Low | 48 Ų | 48 | 131.9 Ų | 131.9 | 50% | 0.495 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.7 | -21.3 | -154.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I172 T178 | I172-G174 WeakPolarHBondContact O-CA 3.41Å; I172-G174 PolarHBondContact O-N 3.42Å; G174-T178 PolarHBondContact O-OG1 3.08Å |
| 175 | K | 53.7 | Low | 62.8 | Low | 188 Ų | 188 | 133.7 Ų | 133.7 | 82% | 0.817 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.7 | -33.2 | -176.3 | -64.9 | -175.7 | 176.8 | -179.1 | 0 | 113.2 | N173 | N173-K175 PolarHBondContact O-N 3.47Å |
| 176 | R | 54.4 | Low | 64.4 | Low | 221 Ų | 221 | 131.6 Ų | 131.6 | 83% | 0.834 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -81.4 | -31.3 | -171.6 | -149 | 175.4 | -165.4 | 176.9 | 5.5 | 114.1 | N173 R180 | N173-R176 PolarHBondContact O-N 3.02Å; R176-R180 PolarHBondContact O-N 3.5Å |
| 177 | K | 54.2 | Low | 66.1 | Low | 130 Ų | 130 | 135.5 Ų | 135.5 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.1 | -35.5 | -180 | -68.4 | -155.2 | -174.2 | 169 | 0 | 112.7 | I172 R180 K181 | I172-K177 HydrophobicContact CG2-CD 3.54Å; I172-K177 HydrophobicContact CG2-CG 3.81Å; K177-R180 PolarHBondContact O-N 2.93Å; K177-K181 WeakPolarHBondContact O-CB 3.46Å; K177-K181 PolarHBondContact O-N 3.02Å |
| 178 | T | 60.9 | Low | 67.8 | Low | 90 Ų | 90 | 132.5 Ų | 132.5 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.1 | -48.4 | 177.3 | -47.4 | 0 | 0 | 0 | 0 | 111.3 | G174 R180 K181 Q182 | G174-T178 PolarHBondContact O-OG1 3.08Å; T178-R180 PolarHBondContact O-N 3.29Å; T178-K181 PolarHBondContact O-N 2.86Å; T178-Q182 WeakPolarHBondContact O-CB 3.5Å; T178-Q182 PolarHBondContact O-N 3.43Å |
| 179 | A | 69.2 | Low | 69.5 | Low | 47 Ų | 47 | 129.6 Ų | 129.6 | 39% | 0.388 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.2 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | K183 | A179-K183 WeakPolarHBondContact O-CB 3.36Å; A179-K183 WeakPolarHBondContact O-CG 3.19Å; A179-K183 PolarHBondContact O-N 3.41Å |
| 180 | R | 74.2 | Confident | 71.4 | Confident | 184 Ų | 184 | 125.5 Ų | 125.5 | 69% | 0.694 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.4 | -40.5 | 175.8 | -170.8 | 175.8 | 176.8 | 173.9 | -0.1 | 111.7 | R176 K177 T178 M184 | R176-R180 PolarHBondContact O-N 3.5Å; K177-R180 PolarHBondContact O-N 2.93Å; T178-R180 PolarHBondContact O-N 3.29Å; R180-M184 HydrophobicContact CG-CE 4.28Å; R180-M184 WeakPolarHBondContact O-CG 3.4Å; R180-M184 PolarHBondContact O-N 3.43Å |
| 181 | K | 75.1 | Confident | 73.3 | Confident | 156 Ų | 156 | 125.6 Ų | 125.6 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.4 | -42.6 | 177.3 | -168.1 | 178.5 | -179.3 | -174.4 | 0 | 111.7 | K177 T178 M184 F185 | K177-K181 WeakPolarHBondContact O-CB 3.46Å; K177-K181 PolarHBondContact O-N 3.02Å; T178-K181 PolarHBondContact O-N 2.86Å; K181-M184 PolarHBondContact O-N 2.98Å; K181-F185 PolarHBondContact O-N 2.87Å |
| 182 | Q | 74 | Confident | 75 | Confident | 117 Ų | 117 | 123.8 Ų | 123.8 | 55% | 0.547 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.1 | -43.3 | 176.4 | -168.4 | 174.1 | 6.8 | 0 | 0 | 111.9 | T178 M184 F185 Q186 | T178-Q182 WeakPolarHBondContact O-CB 3.5Å; T178-Q182 PolarHBondContact O-N 3.43Å; Q182-M184 VanDerWaalsContact C-N 3.34Å; Q182-M184 PolarHBondContact O-N 3.03Å; Q182-F185 PolarHBondContact O-N 2.72Å; Q182-Q186 WeakPolarHBondContact O-CG 3.22Å; Q182-Q186 PolarHBondContact O-N 3.48Å |
| 183 | K | 88 | Confident | 76.6 | Confident | 143 Ų | 143 | 127.3 Ų | 127.3 | 62% | 0.622 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.7 | -37.7 | 172.6 | -75.4 | -177.7 | 177.7 | -172.5 | 0 | 112.9 | A179 R187 | A179-K183 WeakPolarHBondContact O-CB 3.36Å; A179-K183 WeakPolarHBondContact O-CG 3.19Å; A179-K183 PolarHBondContact O-N 3.41Å; K183-R187 WeakPolarHBondContact O-CB 3.18Å; K183-R187 WeakPolarHBondContact O-CG 3.33Å; K183-R187 PolarHBondContact O-N 3.31Å |
| 184 | M | 87.8 | Confident | 78.2 | Confident | 109 Ų | 109 | 128.5 Ų | 128.5 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.8 | -38.9 | 174.2 | -71.4 | -175.5 | -57.1 | 0 | 0 | 112.1 | R180 K181 Q182 R187 A188 | R180-M184 HydrophobicContact CG-CE 4.28Å; R180-M184 WeakPolarHBondContact O-CG 3.4Å; R180-M184 PolarHBondContact O-N 3.43Å; K181-M184 PolarHBondContact O-N 2.98Å; Q182-M184 VanDerWaalsContact C-N 3.34Å; Q182-M184 PolarHBondContact O-N 3.03Å; M184-R187 PolarHBondContact O-N 2.71Å; M184-A188 WeakPolarHBondContact O-CB 3.36Å; M184-A188 PolarHBondContact O-N 3Å |
| 185 | F | 86 | Confident | 79.7 | Confident | 128 Ų | 128 | 129 Ų | 129 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65 | -45 | 175.8 | -174.7 | -105.7 | 0 | 0 | 0 | 112.1 | K181 Q182 R187 A188 Q189 | K181-F185 PolarHBondContact O-N 2.87Å; Q182-F185 PolarHBondContact O-N 2.72Å; F185-R187 PolarHBondContact O-N 2.89Å; F185-A188 PolarHBondContact O-N 3.48Å; F185-Q189 HydrophobicContact CE1-CG 4.24Å; F185-Q189 VanDerWaalsContact CE1-NE2 3.27Å; F185-Q189 HydrophobicContact CZ-CG 4.4Å; F185-Q189 PolarHBondContact O-N 2.83Å |
| 186 | Q | 90 | Very high | 80.9 | Confident | 109 Ų | 109 | 124 Ų | 124 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.6 | -44.7 | 173 | -74.6 | 175 | -21.3 | 0 | 0 | 111.9 | Q182 A188 Q189 E190 | Q182-Q186 WeakPolarHBondContact O-CG 3.22Å; Q182-Q186 PolarHBondContact O-N 3.48Å; Q186-A188 VanDerWaalsContact C-N 3.32Å; Q186-A188 PolarHBondContact O-N 2.89Å; Q186-Q189 PolarHBondContact O-N 3.28Å; Q186-E190 WeakPolarHBondContact O-CB 3.42Å; Q186-E190 PolarHBondContact O-N 3.08Å |
| 187 | R | 90.9 | Very high | 82.4 | Confident | 194 Ų | 194 | 117.1 Ų | 117.1 | 73% | 0.732 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.8 | -37 | 174.3 | -78.6 | -173.6 | 176.1 | -160.2 | -1.3 | 112.8 | K183 M184 F185 E190 L191 | K183-R187 WeakPolarHBondContact O-CB 3.18Å; K183-R187 WeakPolarHBondContact O-CG 3.33Å; K183-R187 PolarHBondContact O-N 3.31Å; M184-R187 PolarHBondContact O-N 2.71Å; F185-R187 PolarHBondContact O-N 2.89Å; R187-E190 PolarHBondContact O-N 2.87Å; R187-L191 WeakPolarHBondContact O-CB 3.46Å; R187-L191 VanDerWaalsContact O-CG 3.3Å; R187-L191 WeakPolarHBondContact O-CG 3.44Å; R187-L191 PolarHBondContact O-N 3.27Å |
| 188 | A | 90.6 | Very high | 83.4 | Confident | 56 Ų | 56 | 117.8 Ų | 117.8 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | M184 F185 Q186 R192 | M184-A188 WeakPolarHBondContact O-CB 3.36Å; M184-A188 PolarHBondContact O-N 3Å; F185-A188 PolarHBondContact O-N 3.48Å; Q186-A188 VanDerWaalsContact C-N 3.32Å; Q186-A188 PolarHBondContact O-N 2.89Å; A188-R192 WeakPolarHBondContact O-CB 3.2Å; A188-R192 PolarHBondContact O-N 3.42Å |
| 189 | Q | 90.9 | Very high | 83.9 | Confident | 100 Ų | 100 | 119.3 Ų | 119.3 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 173.3 | -72.1 | -176.2 | -36.4 | 0 | 0 | 112.2 | F185 Q186 R192 R193 | F185-Q189 HydrophobicContact CE1-CG 4.24Å; F185-Q189 VanDerWaalsContact CE1-NE2 3.27Å; F185-Q189 HydrophobicContact CZ-CG 4.4Å; F185-Q189 PolarHBondContact O-N 2.83Å; Q186-Q189 PolarHBondContact O-N 3.28Å; Q189-R192 WeakPolarHBondContact O-CB 3.32Å; Q189-R192 PolarHBondContact O-N 3.05Å; Q189-R193 PolarHBondContact O-N 3.45Å |
| 190 | E | 91.9 | Very high | 83.9 | Confident | 76 Ų | 76 | 121.7 Ų | 121.7 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 176.6 | -179.7 | 59.4 | -165.4 | 0 | 0 | 112.2 | Q186 R187 R192 R193 R194 | Q186-E190 WeakPolarHBondContact O-CB 3.42Å; Q186-E190 PolarHBondContact O-N 3.08Å; R187-E190 PolarHBondContact O-N 2.87Å; E190-R192 VanDerWaalsContact C-N 3.28Å; E190-R192 PolarHBondContact O-N 2.86Å; E190-R193 PolarHBondContact O-N 3.46Å; E190-R194 WeakPolarHBondContact O-CG 3.47Å; E190-R194 PolarHBondContact O-N 3.5Å; E190-R194 IonicContact OE1-CZ 3.57Å; E190-R194 IonicContact OE1-NE 3.44Å; E190-R194 PolarHBondContact OE1-NE 3.13Å; E190-R194 IonicContact OE1-NH2 2.69Å; E190-R194 PolarHBondContact OE1-NH2 3.47Å |
| 191 | L | 92.5 | Very high | 83.6 | Confident | 117 Ų | 117 | 118.4 Ų | 118.4 | 61% | 0.613 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.4 | -37.8 | 173.4 | -74.2 | 170.9 | 0 | 0 | 0 | 112 | R187 R194 A195 | R187-L191 WeakPolarHBondContact O-CB 3.46Å; R187-L191 VanDerWaalsContact O-CG 3.3Å; R187-L191 WeakPolarHBondContact O-CG 3.44Å; R187-L191 PolarHBondContact O-N 3.27Å; L191-R194 PolarHBondContact O-N 2.81Å; L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 2.91Å |
| 192 | R | 89.6 | Confident | 83.4 | Confident | 170 Ų | 170 | 117.4 Ų | 117.4 | 64% | 0.642 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.4 | -47.2 | 174.5 | 178.5 | 176.4 | 173.7 | 165.7 | 2.7 | 111.7 | A188 Q189 E190 R194 A195 E196 | A188-R192 WeakPolarHBondContact O-CB 3.2Å; A188-R192 PolarHBondContact O-N 3.42Å; Q189-R192 WeakPolarHBondContact O-CB 3.32Å; Q189-R192 PolarHBondContact O-N 3.05Å; E190-R192 VanDerWaalsContact C-N 3.28Å; E190-R192 PolarHBondContact O-N 2.86Å; R192-R194 PolarHBondContact O-N 3.19Å; R192-A195 PolarHBondContact O-N 3.11Å; R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact CZ-OE1 3.31Å; R192-E196 IonicContact NE-OE1 3.52Å; R192-E196 PolarHBondContact NE-OE1 2.69Å; R192-E196 IonicContact NH2-OE1 2.71Å; R192-E196 PolarHBondContact NH2-OE1 2.86Å; R192-E196 WeakPolarHBondContact O-CG 3.5Å; R192-E196 PolarHBondContact O-N 2.98Å |
| 193 | R | 88.3 | Confident | 83 | Confident | 161 Ų | 161 | 113.7 Ų | 113.7 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.2 | -46.6 | 175.4 | -76.4 | -179.2 | 172.8 | 174.8 | -3.6 | 111.7 | Q189 E190 A195 E196 D197 | Q189-R193 PolarHBondContact O-N 3.45Å; E190-R193 PolarHBondContact O-N 3.46Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 2.86Å; R193-E196 PolarHBondContact O-N 3.38Å; R193-E196 VanDerWaalsContact O-N 3.15Å; R193-D197 WeakPolarHBondContact O-CB 3.33Å; R193-D197 PolarHBondContact O-N 3.33Å |
| 194 | R | 87.3 | Confident | 82.1 | Confident | 155 Ų | 155 | 110.1 Ų | 110.1 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -35.9 | 176.4 | -68.5 | 176.8 | -166.4 | -176.1 | 1 | 113.3 | E190 L191 R192 Y198 | E190-R194 WeakPolarHBondContact O-CG 3.47Å; E190-R194 PolarHBondContact O-N 3.5Å; E190-R194 IonicContact OE1-CZ 3.57Å; E190-R194 IonicContact OE1-NE 3.44Å; E190-R194 PolarHBondContact OE1-NE 3.13Å; E190-R194 IonicContact OE1-NH2 2.69Å; E190-R194 PolarHBondContact OE1-NH2 3.47Å; L191-R194 PolarHBondContact O-N 2.81Å; R192-R194 PolarHBondContact O-N 3.19Å; R194-Y198 WeakPolarHBondContact O-CB 3.3Å; R194-Y198 PolarHBondContact O-N 2.86Å |
| 195 | A | 84 | Confident | 80.9 | Confident | 59 Ų | 59 | 110 Ų | 110 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L191 R192 R193 H199 | L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 2.91Å; R192-A195 PolarHBondContact O-N 3.11Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 2.86Å; A195-H199 WeakPolarHBondContact O-CB 3.47Å; A195-H199 PolarHBondContact O-N 2.88Å |
| 196 | E | 80 | Confident | 79.8 | Confident | 82 Ų | 82 | 108 Ų | 108 | 38% | 0.383 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 174.7 | -71.4 | 171 | -169.7 | 0 | 0 | 111.5 | R192 R193 H199 K200 | R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact CZ-OE1 3.31Å; R192-E196 IonicContact NE-OE1 3.52Å; R192-E196 PolarHBondContact NE-OE1 2.69Å; R192-E196 IonicContact NH2-OE1 2.71Å; R192-E196 PolarHBondContact NH2-OE1 2.86Å; R192-E196 WeakPolarHBondContact O-CG 3.5Å; R192-E196 PolarHBondContact O-N 2.98Å; R193-E196 PolarHBondContact O-N 3.38Å; R193-E196 VanDerWaalsContact O-N 3.15Å; E196-H199 PolarHBondContact O-N 2.83Å; E196-K200 WeakPolarHBondContact O-CG 3.34Å; E196-K200 PolarHBondContact O-N 3.01Å |
| 197 | D | 84.5 | Confident | 78.4 | Confident | 76 Ų | 76 | 104.5 Ų | 104.5 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74.5 | -36 | 177.6 | -66.2 | -30.3 | 0 | 0 | 0 | 112.6 | R193 H199 K200 C201 | R193-D197 WeakPolarHBondContact O-CB 3.33Å; R193-D197 PolarHBondContact O-N 3.33Å; D197-H199 VanDerWaalsContact C-N 3.33Å; D197-H199 PolarHBondContact O-N 3.45Å; D197-K200 WeakPolarHBondContact O-CB 3.21Å; D197-K200 PolarHBondContact O-N 2.63Å; D197-K200 IonicContact OD1-NZ 2.8Å; D197-K200 PolarHBondContact OD1-NZ 2.86Å; D197-C201 WeakPolarHBondContact O-CB 3.41Å; D197-C201 PolarHBondContact O-N 3.37Å; D197-C201 PolarHBondContact O-SG 3.33Å; D197-C201 VanDerWaalsContact O-SG 3.33Å |
| 198 | Y | 75.9 | Confident | 77.1 | Confident | 145 Ų | 145 | 100 Ų | 100 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 169.3 | -178.7 | -102 | 0 | 0 | 0 | 111.8 | R194 C201 K202 | R194-Y198 WeakPolarHBondContact O-CB 3.3Å; R194-Y198 PolarHBondContact O-N 2.86Å; Y198-C201 PolarHBondContact O-N 3.4Å; Y198-K202 HydrophobicContact CD1-CD 4.24Å; Y198-K202 HydrophobicContact CE1-CD 3.65Å; Y198-K202 HydrophobicContact CE1-CG 4.48Å; Y198-K202 VanDerWaalsContact CZ-CE 3.46Å; Y198-K202 WeakPolarHBondContact O-CB 3.21Å; Y198-K202 PolarHBondContact O-N 3.37Å; Y198-K202 WeakPolarHBondContact OH-CE 3.39Å; Y198-K202 PolarHBondContact OH-NZ 3.45Å |
| 199 | H | 71.9 | Confident | 75.9 | Confident | 121 Ų | 121 | 104.7 Ų | 104.7 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 174.9 | -172.9 | 62.4 | 0 | 0 | 0 | 111.8 | A195 E196 D197 K202 I203 | A195-H199 WeakPolarHBondContact O-CB 3.47Å; A195-H199 PolarHBondContact O-N 2.88Å; E196-H199 PolarHBondContact O-N 2.83Å; D197-H199 VanDerWaalsContact C-N 3.33Å; D197-H199 PolarHBondContact O-N 3.45Å; H199-K202 PolarHBondContact O-N 2.92Å; H199-I203 WeakPolarHBondContact O-CG1 3.37Å; H199-I203 PolarHBondContact O-N 3.23Å |
| 200 | K | 69.1 | Low | 74.6 | Confident | 97 Ų | 97 | 102.9 Ų | 102.9 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57 | -54.9 | 170.3 | -75.4 | 173 | -159.8 | 156.9 | 0 | 110.8 | E196 D197 K202 I203 R208 | E196-K200 WeakPolarHBondContact O-CG 3.34Å; E196-K200 PolarHBondContact O-N 3.01Å; D197-K200 WeakPolarHBondContact O-CB 3.21Å; D197-K200 PolarHBondContact O-N 2.63Å; D197-K200 IonicContact OD1-NZ 2.8Å; D197-K200 PolarHBondContact OD1-NZ 2.86Å; K200-K202 PolarHBondContact O-N 2.96Å; K200-I203 PolarHBondContact O-N 3.18Å; K200-I203 VanDerWaalsContact O-N 3.12Å; K200-R208 PolarHBondContact O-NH2 3.48Å |
| 201 | C | 68 | Low | 73.1 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 78% | 0.784 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -25.2 | -176.9 | -67.1 | 0 | 0 | 0 | 0 | 113.4 | D197 Y198 | D197-C201 WeakPolarHBondContact O-CB 3.41Å; D197-C201 PolarHBondContact O-N 3.37Å; D197-C201 PolarHBondContact O-SG 3.33Å; D197-C201 VanDerWaalsContact O-SG 3.33Å; Y198-C201 PolarHBondContact O-N 3.4Å |
| 202 | K | 71.2 | Confident | 71.6 | Confident | 135 Ų | 135 | 101.5 Ų | 101.5 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.2 | -21.7 | 173.5 | -87.5 | -168.4 | 160.5 | -179.3 | 0 | 115.6 | Y198 H199 K200 P204 | Y198-K202 HydrophobicContact CD1-CD 4.24Å; Y198-K202 HydrophobicContact CE1-CD 3.65Å; Y198-K202 HydrophobicContact CE1-CG 4.48Å; Y198-K202 VanDerWaalsContact CZ-CE 3.46Å; Y198-K202 WeakPolarHBondContact O-CB 3.21Å; Y198-K202 PolarHBondContact O-N 3.37Å; Y198-K202 WeakPolarHBondContact OH-CE 3.39Å; Y198-K202 PolarHBondContact OH-NZ 3.45Å; H199-K202 PolarHBondContact O-N 2.92Å; K200-K202 PolarHBondContact O-N 2.96Å; K202-P204 WeakPolarHBondContact O-CD 3.29Å |
| 203 | I | 63.8 | Low | 70.5 | Confident | 38 Ų | 38 | 97.6 Ų | 97.6 | 20% | 0.195 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -95.3 | 111.3 | 176.4 | -55.4 | 168.1 | 0 | 0 | 0 | 108.7 | H199 K200 A207 R208 | H199-I203 WeakPolarHBondContact O-CG1 3.37Å; H199-I203 PolarHBondContact O-N 3.23Å; K200-I203 PolarHBondContact O-N 3.18Å; K200-I203 VanDerWaalsContact O-N 3.12Å; I203-A207 HydrophobicContact CG2-CB 3.71Å; I203-R208 HydrophobicContact CB-CG 3.98Å; I203-R208 HydrophobicContact CG2-CG 3.45Å; I203-R208 VanDerWaalsContact CG2-CG 3.45Å; I203-R208 PolarHBondContact O-NE 3.05Å |
| 204 | P | 69.3 | Low | 69.5 | Low | 69 Ų | 69 | 98.1 Ų | 98.1 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | trans | -59.1 | 147 | 177.9 | 23.7 | -32.3 | 0 | 0 | 0 | 110.6 | K202 S206 A207 R208 | K202-P204 WeakPolarHBondContact O-CD 3.29Å; P204-S206 PolarHBondContact O-N 2.93Å; P204-A207 HydrophobicContact CG-CB 3.97Å; P204-A207 PolarHBondContact O-N 2.89Å; P204-R208 PolarHBondContact O-N 3.34Å | ||
| 205 | P | 63.6 | Low | 68.7 | Low | 105 Ų | 105 | 95 Ų | 95 | 68% | 0.682 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -55 | -31.1 | -173.9 | -28.6 | 35.7 | 0 | 0 | 0 | 114.6 | R208 K209 | P205-R208 PolarHBondContact O-N 3.47Å; P205-K209 PolarHBondContact O-N 2.9Å; P205-K209 VanDerWaalsContact O-N 3.17Å |
| 206 | S | 62 | Low | 67.7 | Low | 86 Ų | 86 | 100.5 Ų | 100.5 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -47.5 | 173.5 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | P204 R208 K209 A210 | P204-S206 PolarHBondContact O-N 2.93Å; S206-R208 VanDerWaalsContact C-N 3.32Å; S206-R208 PolarHBondContact O-N 3.2Å; S206-K209 PolarHBondContact O-N 3.47Å; S206-A210 PolarHBondContact O-N 3.15Å |
| 207 | A | 61.7 | Low | 66.8 | Low | 36 Ų | 36 | 102.7 Ų | 102.7 | 30% | 0.298 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.2 | -31.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I203 P204 A210 L211 | I203-A207 HydrophobicContact CG2-CB 3.71Å; P204-A207 HydrophobicContact CG-CB 3.97Å; P204-A207 PolarHBondContact O-N 2.89Å; A207-A210 PolarHBondContact O-N 2.97Å; A207-L211 PolarHBondContact O-N 3.46Å |
| 208 | R | 63 | Low | 65.4 | Low | 101 Ų | 101 | 100.7 Ų | 100.7 | 38% | 0.381 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.8 | -40 | 171.1 | -60.9 | -159.7 | -146.6 | 154.1 | 15.3 | 112.4 | K200 I203 P204 P205 S206 L211 C212 | K200-R208 PolarHBondContact O-NH2 3.48Å; I203-R208 HydrophobicContact CB-CG 3.98Å; I203-R208 HydrophobicContact CG2-CG 3.45Å; I203-R208 VanDerWaalsContact CG2-CG 3.45Å; I203-R208 PolarHBondContact O-NE 3.05Å; P204-R208 PolarHBondContact O-N 3.34Å; P205-R208 PolarHBondContact O-N 3.47Å; S206-R208 VanDerWaalsContact C-N 3.32Å; S206-R208 PolarHBondContact O-N 3.2Å; R208-L211 PolarHBondContact O-N 3.18Å; R208-C212 WeakPolarHBondContact O-CB 3.48Å; R208-C212 PolarHBondContact O-N 3.15Å; R208-C212 PolarHBondContact O-SG 2.96Å |
| 209 | K | 64.6 | Low | 64.4 | Low | 154 Ų | 154 | 96.4 Ų | 96.4 | 67% | 0.67 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.6 | -43.4 | 172.9 | -84.4 | -174.9 | 174.9 | -179.4 | 0 | 111.4 | P205 S206 C212 N213 | P205-K209 PolarHBondContact O-N 2.9Å; P205-K209 VanDerWaalsContact O-N 3.17Å; S206-K209 PolarHBondContact O-N 3.47Å; K209-C212 PolarHBondContact O-N 3.45Å; K209-N213 WeakPolarHBondContact O-CB 3.48Å; K209-N213 VanDerWaalsContact O-CG 3.25Å; K209-N213 PolarHBondContact O-N 3.32Å |
| 210 | A | 63.4 | Low | 63.6 | Low | 61 Ų | 61 | 92.4 Ų | 92.4 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S206 A207 N213 W214 | S206-A210 PolarHBondContact O-N 3.15Å; A207-A210 PolarHBondContact O-N 2.97Å; A210-N213 PolarHBondContact O-N 3.45Å; A210-W214 WeakPolarHBondContact O-CB 3.33Å; A210-W214 PolarHBondContact O-N 3.13Å |
| 211 | L | 60.9 | Low | 62.7 | Low | 92 Ų | 92 | 94.4 Ų | 94.4 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 175.8 | -82.2 | 163.7 | 0 | 0 | 0 | 112.9 | A207 R208 N213 W214 V215 | A207-L211 PolarHBondContact O-N 3.46Å; R208-L211 PolarHBondContact O-N 3.18Å; L211-N213 VanDerWaalsContact C-N 3.31Å; L211-N213 PolarHBondContact O-N 3Å; L211-W214 HydrophobicContact CD2-CE3 4.47Å; L211-W214 PolarHBondContact O-N 3.12Å; L211-V215 WeakPolarHBondContact O-CB 3.33Å; L211-V215 WeakPolarHBondContact O-CG2 3.41Å; L211-V215 PolarHBondContact O-N 3.25Å |
| 212 | C | 61 | Low | 61.7 | Low | 72 Ų | 72 | 95.6 Ų | 95.6 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -33.4 | 177.8 | -72.4 | 0 | 0 | 0 | 0 | 112.8 | R208 K209 R216 | R208-C212 WeakPolarHBondContact O-CB 3.48Å; R208-C212 PolarHBondContact O-N 3.15Å; R208-C212 PolarHBondContact O-SG 2.96Å; K209-C212 PolarHBondContact O-N 3.45Å; C212-R216 WeakPolarHBondContact O-CB 3.25Å; C212-R216 PolarHBondContact O-N 3.5Å; C212-R216 VanDerWaalsContact O-N 3.13Å |
| 213 | N | 67.1 | Low | 60.6 | Low | 88 Ų | 88 | 96.8 Ų | 96.8 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.2 | -42.6 | 174.3 | -73.7 | -2.3 | 0 | 0 | 0 | 110.9 | K209 A210 L211 R216 M217 | K209-N213 WeakPolarHBondContact O-CB 3.48Å; K209-N213 VanDerWaalsContact O-CG 3.25Å; K209-N213 PolarHBondContact O-N 3.32Å; A210-N213 PolarHBondContact O-N 3.45Å; L211-N213 VanDerWaalsContact C-N 3.31Å; L211-N213 PolarHBondContact O-N 3Å; N213-R216 CarbonylContact O-C 3.58Å; N213-R216 PolarHBondContact O-N 3.42Å; N213-R216 VanDerWaalsContact O-N 3.16Å; N213-M217 WeakPolarHBondContact O-CG 3.42Å; N213-M217 PolarHBondContact O-N 2.91Å |
| 214 | W | 67.4 | Low | 59.9 | Low | 173 Ų | 173 | 102.9 Ų | 102.9 | 66% | 0.655 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | 175.6 | -179.8 | 67.8 | 0 | 0 | 0 | 112.3 | A210 L211 R216 M217 A218 | A210-W214 WeakPolarHBondContact O-CB 3.33Å; A210-W214 PolarHBondContact O-N 3.13Å; L211-W214 HydrophobicContact CD2-CE3 4.47Å; L211-W214 PolarHBondContact O-N 3.12Å; W214-R216 VanDerWaalsContact C-N 3.3Å; W214-R216 PolarHBondContact O-N 3.3Å; W214-M217 PolarHBondContact O-N 2.85Å; W214-A218 WeakPolarHBondContact O-CB 3.43Å; W214-A218 PolarHBondContact O-N 3.42Å |
| 215 | V | 69.2 | Low | 59 | Low | 88 Ų | 88 | 105.1 Ų | 105.1 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -36.2 | 173.9 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | L211 A219 | L211-V215 WeakPolarHBondContact O-CB 3.33Å; L211-V215 WeakPolarHBondContact O-CG2 3.41Å; L211-V215 PolarHBondContact O-N 3.25Å; V215-A219 VanDerWaalsContact O-CB 3.26Å; V215-A219 WeakPolarHBondContact O-CB 3.35Å; V215-A219 PolarHBondContact O-N 3.46Å |
| 216 | R | 64.9 | Low | 58.4 | Low | 176 Ų | 176 | 103 Ų | 103 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.4 | -39.1 | 173.5 | -113 | -174 | -80.6 | -177 | -8.7 | 112.9 | C212 N213 W214 A219 A220 | C212-R216 WeakPolarHBondContact O-CB 3.25Å; C212-R216 PolarHBondContact O-N 3.5Å; C212-R216 VanDerWaalsContact O-N 3.13Å; N213-R216 CarbonylContact O-C 3.58Å; N213-R216 PolarHBondContact O-N 3.42Å; N213-R216 VanDerWaalsContact O-N 3.16Å; W214-R216 VanDerWaalsContact C-N 3.3Å; W214-R216 PolarHBondContact O-N 3.3Å; R216-A219 PolarHBondContact O-N 3.09Å; R216-A220 WeakPolarHBondContact O-CB 3.48Å; R216-A220 PolarHBondContact O-N 3.32Å |
| 217 | M | 59.5 | Low | 57.7 | Low | 127 Ų | 127 | 103.2 Ų | 103.2 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.2 | -49.1 | 176.4 | -72.9 | -58.9 | -62.1 | 0 | 0 | 110.9 | N213 W214 A219 A220 E221 | N213-M217 WeakPolarHBondContact O-CG 3.42Å; N213-M217 PolarHBondContact O-N 2.91Å; W214-M217 PolarHBondContact O-N 2.85Å; M217-A219 VanDerWaalsContact C-N 3.27Å; M217-A219 PolarHBondContact O-N 2.84Å; M217-A220 CarbonylContact O-C 3.56Å; M217-A220 WeakPolarHBondContact O-CA 3.45Å; M217-A220 WeakPolarHBondContact O-CB 3.48Å; M217-A220 PolarHBondContact O-N 3.02Å; M217-E221 WeakPolarHBondContact O-CB 3.2Å; M217-E221 PolarHBondContact O-N 2.97Å |
| 218 | A | 55.7 | Low | 56.8 | Low | 34 Ų | 34 | 108.2 Ų | 108.2 | 28% | 0.281 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.9 | -36.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W214 H222 | W214-A218 WeakPolarHBondContact O-CB 3.43Å; W214-A218 PolarHBondContact O-N 3.42Å; A218-H222 PolarHBondContact O-CD2 3.48Å; A218-H222 PolarHBondContact O-N 3.14Å; A218-H222 VanDerWaalsContact O-N 3.08Å |
| 219 | A | 54.2 | Low | 55.8 | Low | 55 Ų | 55 | 108.6 Ų | 108.6 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.4 | -28.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V215 R216 M217 R223 | V215-A219 VanDerWaalsContact O-CB 3.26Å; V215-A219 WeakPolarHBondContact O-CB 3.35Å; V215-A219 PolarHBondContact O-N 3.46Å; R216-A219 PolarHBondContact O-N 3.09Å; M217-A219 VanDerWaalsContact C-N 3.27Å; M217-A219 PolarHBondContact O-N 2.84Å; A219-R223 WeakPolarHBondContact O-CG 3.41Å |
| 220 | A | 55.7 | Low | 54.4 | Low | 37 Ų | 37 | 109 Ų | 109 | 31% | 0.306 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -78.1 | -39 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R216 M217 H222 R223 H224 | R216-A220 WeakPolarHBondContact O-CB 3.48Å; R216-A220 PolarHBondContact O-N 3.32Å; M217-A220 CarbonylContact O-C 3.56Å; M217-A220 WeakPolarHBondContact O-CA 3.45Å; M217-A220 WeakPolarHBondContact O-CB 3.48Å; M217-A220 PolarHBondContact O-N 3.02Å; A220-H222 VanDerWaalsContact C-N 3.32Å; A220-H222 PolarHBondContact O-N 2.73Å; A220-R223 WeakPolarHBondContact O-CA 3.3Å; A220-R223 VanDerWaalsContact O-CB 3.29Å; A220-R223 WeakPolarHBondContact O-CB 3.44Å; A220-R223 PolarHBondContact O-N 2.86Å; A220-H224 PolarHBondContact O-CD2 3.45Å |
| 221 | E | 51.1 | Low | 53.3 | Low | 140 Ų | 140 | 117 Ų | 117 | 65% | 0.654 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.9 | -40.2 | 175.5 | -163.8 | 165.1 | -163.1 | 0 | 0 | 111 | M217 R223 H224 | M217-E221 WeakPolarHBondContact O-CB 3.2Å; M217-E221 PolarHBondContact O-N 2.97Å; E221-R223 PolarHBondContact O-N 3.29Å; E221-H224 PolarHBondContact O-N 3Å |
| 222 | H | 45.9 | Very low | 52.9 | Low | 140 Ų | 140 | 115.9 Ų | 115.9 | 65% | 0.648 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.7 | -22.9 | 169.1 | -99.1 | -72.4 | 0 | 0 | 0 | 114.9 | A218 A220 S226 | A218-H222 PolarHBondContact O-CD2 3.48Å; A218-H222 PolarHBondContact O-N 3.14Å; A218-H222 VanDerWaalsContact O-N 3.08Å; A220-H222 VanDerWaalsContact C-N 3.32Å; A220-H222 PolarHBondContact O-N 2.73Å; H222-S226 PolarHBondContact O-OG 2.83Å |
| 223 | R | 48 | Very low | 51.8 | Low | 161 Ų | 161 | 123 Ų | 123 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81 | -14.3 | 177.5 | -72.6 | 174.2 | 168.4 | -176.6 | -5.9 | 113.8 | A219 A220 E221 | A219-R223 WeakPolarHBondContact O-CG 3.41Å; A220-R223 WeakPolarHBondContact O-CA 3.3Å; A220-R223 VanDerWaalsContact O-CB 3.29Å; A220-R223 WeakPolarHBondContact O-CB 3.44Å; A220-R223 PolarHBondContact O-N 2.86Å; E221-R223 PolarHBondContact O-N 3.29Å |
| 224 | H | 48.5 | Very low | 50.7 | Low | 166 Ų | 166 | 124.7 Ų | 124.7 | 77% | 0.769 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -97.3 | -19.6 | 179.2 | -64.5 | -62.9 | 0 | 0 | 0 | 113.3 | A220 E221 | A220-H224 PolarHBondContact O-CD2 3.45Å; E221-H224 PolarHBondContact O-N 3Å |
| 225 | S | 50.8 | Low | 49.8 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -107.7 | 2.4 | 179.9 | -61.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 226 | S | 51.3 | Low | 48.7 | Very low | 60 Ų | 60 | 120.4 Ų | 120.4 | 42% | 0.42 | 63% | 0.634 | S | S | . | * | trans | -130.3 | 101.4 | 170.8 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | H222 L228 | H222-S226 PolarHBondContact O-OG 2.83Å; S226-L228 PolarHBondContact O-N 2.98Å | ||
| 227 | G | 48.4 | Very low | 47.9 | Very low | 91 Ų | 91 | 118.9 Ų | 118.9 | 94% | 0.938 | 63% | 0.634 | S | S | * | * | trans | -72.6 | 45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 228 | L | 41.1 | Very low | 47.1 | Very low | 141 Ų | 141 | 116.8 Ų | 116.8 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -110.8 | 137.2 | 178.6 | -72.6 | 173.1 | 0 | 0 | 0 | 110 | S226 Y230 | S226-L228 PolarHBondContact O-N 2.98Å; L228-Y230 PolarHBondContact O-N 3.27Å |
| 229 | P | 42.6 | Very low | 46.6 | Very low | 109 Ų | 109 | 120.2 Ų | 120.2 | 71% | 0.708 | 64% | 0.642 | S | S | * | * | trans | -64.2 | 122.3 | 179 | 25.7 | -33.1 | 0 | 0 | 0 | 110.7 | W231 | P229-W231 PolarHBondContact O-N 2.88Å; P229-W231 VanDerWaalsContact O-N 3.1Å | ||
| 230 | Y | 36.3 | Very low | 46.3 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 64% | 0.635 | 66% | 0.656 | S | S | * | * | trans | -65.2 | 106.2 | 176.1 | 171 | -107.3 | 0 | 0 | 0 | 110.5 | L228 P232 | L228-Y230 PolarHBondContact O-N 3.27Å; Y230-P232 HydrophobicContact CD1-CB 4.46Å; Y230-P232 HydrophobicContact CD1-CG 4.03Å; Y230-P232 HydrophobicContact CE1-CB 3.7Å; Y230-P232 HydrophobicContact CE1-CG 3.7Å; Y230-P232 WeakPolarHBondContact O-CD 3.26Å | ||
| 231 | W | 40.7 | Very low | 45.7 | Very low | 229 Ų | 229 | 130.1 Ų | 130.1 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | trans | -80 | 112.4 | 163.3 | -85.7 | 90.2 | 0 | 0 | 0 | 109.3 | P229 Y233 | P229-W231 PolarHBondContact O-N 2.88Å; P229-W231 VanDerWaalsContact O-N 3.1Å; W231-Y233 PolarHBondContact O-N 3.24Å | ||
| 232 | P | 50.6 | Low | 45.5 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 45% | 0.448 | 68% | 0.68 | S | S | . | * | trans | -73.2 | 115.3 | 172.9 | -0.8 | 18 | 0 | 0 | 0 | 108 | Y230 L234 | Y230-P232 HydrophobicContact CD1-CB 4.46Å; Y230-P232 HydrophobicContact CD1-CG 4.03Å; Y230-P232 HydrophobicContact CE1-CB 3.7Å; Y230-P232 HydrophobicContact CE1-CG 3.7Å; Y230-P232 WeakPolarHBondContact O-CD 3.26Å; P232-L234 PolarHBondContact O-N 2.96Å; P232-L234 VanDerWaalsContact O-N 3.12Å | ||
| 233 | Y | 38.1 | Very low | 45.4 | Very low | 223 Ų | 223 | 135 Ų | 135 | 88% | 0.875 | 69% | 0.69 | S | S | * | * | trans | -55.2 | 118.3 | 159.9 | -122.8 | -93.5 | 0 | 0 | 0 | 107.5 | W231 T235 | W231-Y233 PolarHBondContact O-N 3.24Å; Y233-T235 PolarHBondContact O-N 3.31Å | ||
| 234 | L | 44.3 | Very low | 45.4 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 64% | 0.639 | 69% | 0.692 | S | S | * | * | trans | -59 | 108.4 | 173.7 | -89.9 | 81.4 | 0 | 0 | 0 | 108.2 | P232 | P232-L234 PolarHBondContact O-N 2.96Å; P232-L234 VanDerWaalsContact O-N 3.12Å | ||
| 235 | T | 49.8 | Very low | 45.1 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 55% | 0.546 | 69% | 0.692 | S | S | . | * | trans | -67.6 | 141.8 | 168.5 | 45.6 | 0 | 0 | 0 | 0 | 108.6 | Y233 E237 T238 | Y233-T235 PolarHBondContact O-N 3.31Å; T235-E237 PolarHBondContact O-N 3.12Å; T235-T238 PolarHBondContact O-N 2.84Å; T235-T238 PolarHBondContact O-OG1 3.03Å | ||
| 236 | A | 44.5 | Very low | 44.6 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -58.5 | -21.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T238 L239 K240 | A236-T238 VanDerWaalsContact C-N 3.33Å; A236-T238 PolarHBondContact O-N 3.21Å; A236-L239 PolarHBondContact O-N 3.49Å; A236-K240 PolarHBondContact O-N 3.41Å |
| 237 | E | 48 | Very low | 44.1 | Very low | 143 Ų | 143 | 136 Ų | 136 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -50 | -46.7 | 168.5 | -124.6 | 75.8 | -137 | 0 | 0 | 112.8 | T235 L239 K240 | T235-E237 PolarHBondContact O-N 3.12Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.48Å; E237-K240 PolarHBondContact O-N 2.94Å |
| 238 | T | 43.2 | Very low | 44 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 51% | 0.509 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -72.4 | -29.9 | -174.3 | -36.4 | 0 | 0 | 0 | 0 | 112.3 | T235 A236 | T235-T238 PolarHBondContact O-N 2.84Å; T235-T238 PolarHBondContact O-OG1 3.03Å; A236-T238 VanDerWaalsContact C-N 3.33Å; A236-T238 PolarHBondContact O-N 3.21Å |
| 239 | L | 44.6 | Very low | 43.9 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 56% | 0.56 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.7 | -32.8 | 179.9 | -148.5 | 153.4 | 0 | 0 | 0 | 110.9 | A236 E237 N241 R242 | A236-L239 PolarHBondContact O-N 3.49Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.48Å; L239-N241 VanDerWaalsContact C-N 3.35Å; L239-N241 PolarHBondContact O-N 3.45Å; L239-R242 PolarHBondContact O-N 3.28Å |
| 240 | K | 48.1 | Very low | 43.5 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -62.8 | -37.9 | 176.7 | -127.9 | -178.9 | 179.3 | -172.5 | 0 | 113.3 | A236 E237 R242 | A236-K240 PolarHBondContact O-N 3.41Å; E237-K240 PolarHBondContact O-N 2.94Å; K240-R242 VanDerWaalsContact C-N 3.27Å; K240-R242 PolarHBondContact O-N 3.24Å |
| 241 | N | 44.5 | Very low | 43.4 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -6.6 | -179.7 | -64.8 | -14.1 | 0 | 0 | 0 | 113.6 | L239 | L239-N241 VanDerWaalsContact C-N 3.35Å; L239-N241 PolarHBondContact O-N 3.45Å |
| 242 | R | 46.9 | Very low | 42.9 | Very low | 209 Ų | 209 | 132.7 Ų | 132.7 | 79% | 0.789 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -6.4 | -178.4 | -137.5 | 175.6 | -171 | 174 | 2.3 | 114.1 | L239 K240 G244 | L239-R242 PolarHBondContact O-N 3.28Å; K240-R242 VanDerWaalsContact C-N 3.27Å; K240-R242 PolarHBondContact O-N 3.24Å; R242-G244 VanDerWaalsContact C-N 3.3Å; R242-G244 PolarHBondContact O-N 3.27Å |
| 243 | M | 43.1 | Very low | 41.9 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 85% | 0.852 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -5.7 | 179.2 | -147 | 83.8 | -161.4 | 0 | 0 | 113.8 | ||
| 244 | G | 47.2 | Very low | 41.3 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -1.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | R242 | R242-G244 VanDerWaalsContact C-N 3.3Å; R242-G244 PolarHBondContact O-N 3.27Å |
| 245 | H | 44.1 | Very low | 40.6 | Very low | 166 Ų | 166 | 135 Ų | 135 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -129 | 123.7 | -176.8 | -69.1 | -55.7 | 0 | 0 | 0 | 112.4 | ||||
| 246 | Q | 38.8 | Very low | 39.8 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65 | 139 | 174.3 | -169.1 | -178.3 | 23.2 | 0 | 0 | 110.3 | ||
| 247 | P | 42.3 | Very low | 39.1 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 141.5 | 173.6 | 29.5 | -33.7 | 0 | 0 | 0 | 110.9 | ||
| 248 | P | 45 | Very low | 38.2 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 155 | 175.3 | 30.7 | -34.8 | 0 | 0 | 0 | 111.9 | ||
| 249 | P | 39.5 | Very low | 37.5 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -73 | 157.8 | 179.6 | 31.3 | -35.7 | 0 | 0 | 0 | 112.5 | T251 | P249-T251 PolarHBondContact O-N 3.46Š|
| 250 | P | 34.6 | Very low | 36.8 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 122.7 | -179.2 | 30.8 | -33.7 | 0 | 0 | 0 | 112.1 | ||
| 251 | T | 33.9 | Very low | 35.8 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -81 | 142.1 | 171.9 | -37.1 | 0 | 0 | 0 | 0 | 110.7 | P249 | P249-T251 PolarHBondContact O-N 3.46Š|
| 252 | Q | 29.5 | Very low | 35 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 148.7 | -176.3 | -62.9 | -173.4 | 23.3 | 0 | 0 | 113.7 | ||
| 253 | Q | 30.1 | Very low | 34.1 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | 28.1 | 131 | 144 | -60.7 | -176.4 | -12 | 0 | 0 | 120.4 | ||||
| 254 | H | 26.1 | Very low | 33.4 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | -152.5 | 111.6 | 125.1 | -93.2 | -74.1 | 0 | 0 | 0 | 109.9 | |||||
| 255 | S | 29.5 | Very low | 32.5 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -144.9 | 107.2 | 164.1 | 59.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 256 | I | 32.2 | Very low | 32.5 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -123.5 | 132.3 | 175.9 | -58.3 | 172.4 | 0 | 0 | 0 | 102.2 | ||||
| 257 | T | 29.3 | Very low | 32.5 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | cis | -144.3 | -177.5 | 21 | -5.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 258 | D | 29.7 | Very low | 31.8 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | cis | -166.3 | 156.2 | 19.6 | -128.4 | -36.4 | 0 | 0 | 0 | 112.4 | ||||
| 259 | N | 27.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 58 | 143.5 | 153.7 | -63.4 | -49.9 | 0 | 0 | 0 | 122.6 | ||||
| 260 | S | 30.4 | Very low | 30.3 | Very low | 94 Ų | 94 | 139 Ų | 139 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | cis | -172.6 | 145.3 | -28.7 | -115.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 261 | L | 27.5 | Very low | 30.2 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 58.4 | 103.5 | 153.6 | -74 | 151 | 0 | 0 | 0 | 121.9 | ||||
| 262 | S | 27.9 | Very low | 29.9 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 177.9 | 114.1 | 110.7 | -80 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 263 | L | 28.2 | Very low | 30.1 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | 26.4 | 132.4 | 129.8 | -56.1 | 167.1 | 0 | 0 | 0 | 118.3 | |||||
| 264 | K | 27.6 | Very low | 30.3 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | cis | -165 | 170.6 | 40 | -130.2 | 169.3 | -177.9 | 179.5 | 0 | 112.8 | ||||
| 265 | T | 27.5 | Very low | 30.8 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -56.4 | 167.5 | -166.6 | 23.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 266 | P | 44 | Very low | 31.2 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -99.9 | -169.7 | -177.7 | 42.7 | -36.4 | 0 | 0 | 0 | 114.4 | ||||
| 267 | P | 39.1 | Very low | 31 | Very low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | -150.5 | 156.9 | 106.2 | 39.7 | -22.8 | 0 | 0 | 0 | 118.7 | |||||
| 268 | E | 28.1 | Very low | 31.1 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 41.2 | 118.3 | 137.6 | -60.5 | 165.7 | 178.6 | 0 | 0 | 120.7 | ||||
| 269 | C | 26.3 | Very low | 31 | Very low | 117 Ų | 117 | 134 Ų | 134 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 60.4 | 120.7 | 70.9 | -72.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 270 | L | 26.4 | Very low | 31.2 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | -177.2 | 134.4 | 111.4 | -92.9 | -174.6 | 0 | 0 | 0 | 112.9 | |||||
| 271 | L | 32.6 | Very low | 31.1 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -86.6 | 146.7 | 162.3 | -91.9 | 149.3 | 0 | 0 | 0 | 109.4 | ||||
| 272 | T | 27.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -150.4 | 158.3 | 162.3 | 24.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 273 | P | 34.6 | Very low | 31.2 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -125.6 | -178.5 | -141.2 | 38.5 | -21.9 | 0 | 0 | 0 | 116 | ||||
| 274 | L | 33.9 | Very low | 31.1 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -75.7 | 147.9 | 173.1 | -177.2 | 72.7 | 0 | 0 | 0 | 112.7 | ||||
| 275 | P | 35.9 | Very low | 31.7 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -107.2 | 161.1 | 161.9 | 36.9 | -29.8 | 0 | 0 | 0 | 114.6 | ||||
| 276 | P | 39 | Very low | 32.2 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -123.8 | 171.7 | -160.7 | 42.9 | -29.9 | 0 | 0 | 0 | 116.6 | ||||
| 277 | S | 26.9 | Very low | 31.5 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -174.6 | 122.2 | 146.6 | -124.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 278 | A | 31.1 | Very low | 30.9 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | 70.1 | 132.8 | 90.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 279 | D | 27.6 | Very low | 30.9 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | cis | -153.8 | 148.5 | 0.9 | -98.3 | -29.2 | 0 | 0 | 0 | 112.6 | ||||
| 280 | D | 32.4 | Very low | 31 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 33.3 | 132.1 | 141.4 | -89.9 | 6.5 | 0 | 0 | 0 | 126.8 | ||||
| 281 | N | 29.1 | Very low | 31 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | trans | 93.3 | 124.2 | 131.3 | -88.4 | -59.7 | 0 | 0 | 0 | 124.7 | ||||
| 282 | L | 28.4 | Very low | 31 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | trans | 85.5 | 114.7 | 148.2 | -61 | 168.6 | 0 | 0 | 0 | 123.8 | ||||
| 283 | K | 28.2 | Very low | 31.2 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | 67.7 | 121.3 | 141.2 | -73.5 | 171.7 | 176.2 | 168.7 | 0 | 122.4 | ||||
| 284 | T | 26.5 | Very low | 31.1 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -54.1 | 167.5 | 153.8 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 285 | P | 39.5 | Very low | 31.1 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | -122.5 | -150.1 | 4.1 | 35.6 | -12.7 | 0 | 0 | 0 | 110.1 | ||||
| 286 | P | 39.1 | Very low | 30.8 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | cis | -134.2 | -121.4 | -1.4 | 42.6 | -20.9 | 0 | 0 | 0 | 115.4 | ||||
| 287 | E | 30 | Very low | 30.4 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -113.6 | 147.9 | -164.3 | -58.4 | 173.8 | 149.4 | 0 | 0 | 112.7 | ||||
| 288 | C | 26.5 | Very low | 30.5 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 92% | 0.919 | 78% | 0.781 | S | S | * | * | trans | -137.7 | 128.6 | 159.4 | -90 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 289 | V | 26.3 | Very low | 30.6 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 142.1 | -172.8 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 290 | L | 28.3 | Very low | 30.8 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -83 | 119.7 | 177.2 | -153.7 | 127.3 | 0 | 0 | 0 | 110.3 | ||
| 291 | T | 28.3 | Very low | 30.7 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -102 | 131.1 | 175.9 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 292 | P | 32.7 | Very low | 30.8 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 163 | -173.3 | 33.9 | -36.2 | 0 | 0 | 0 | 115.4 | ||
| 293 | L | 30.7 | Very low | 30.8 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 147.6 | 178.5 | -166.8 | 71.7 | 0 | 0 | 0 | 112.8 | ||
| 294 | P | 33.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 154.4 | -175.7 | 31.6 | -36.5 | 0 | 0 | 0 | 114.7 | ||
| 295 | P | 33.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 146.9 | 175.9 | 33.9 | -34.3 | 0 | 0 | 0 | 113.1 | ||
| 296 | S | 29 | Very low | 31 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 154.2 | 173 | -165.3 | 0 | 0 | 0 | 0 | 112 | ||
| 297 | A | 30.8 | Very low | 30.5 | Very low | 74 Ų | 74 | 139 Ų | 139 | 61% | 0.612 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 156.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 298 | D | 29.6 | Very low | 30.4 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | -166 | 143.7 | 115.7 | -95.4 | -15.4 | 0 | 0 | 0 | 112.2 | |||||
| 299 | D | 34 | Very low | 30.4 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | trans | -63.1 | 148.3 | -159.9 | -58.9 | -51.7 | 0 | 0 | 0 | 118.3 | ||||
| 300 | N | 30.3 | Very low | 30.6 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | 176.3 | 148.6 | 96 | -101.2 | -75.3 | 0 | 0 | 0 | 117 | |||||
| 301 | L | 30.9 | Very low | 30.6 | Very low | 148 Ų | 148 | 136 Ų | 136 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 79.1 | 77.2 | 158.6 | -63.9 | 168.1 | 0 | 0 | 0 | 121.7 | ||||
| 302 | K | 30.7 | Very low | 30.7 | Very low | 202 Ų | 202 | 138 Ų | 138 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | 53.8 | 111.1 | 124.1 | -86.3 | 173.8 | 173.2 | 168.7 | 0 | 121.9 | |||||
| 303 | T | 28.6 | Very low | 30.7 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -139.5 | 139 | 147.3 | -36.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 304 | P | 30.5 | Very low | 31.2 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80 | 167.6 | 179 | 32.2 | -34.8 | 0 | 0 | 0 | 113.8 | ||
| 305 | P | 38 | Very low | 30.9 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 169.3 | -136.1 | 39 | -39.2 | 0 | 0 | 0 | 117.5 | ||
| 306 | E | 30.2 | Very low | 31 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 149.6 | 169.1 | -58.3 | -175.9 | 148.8 | 0 | 0 | 112.3 | ||
| 307 | C | 27.6 | Very low | 31.1 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 127.8 | 166.7 | -74 | 0 | 0 | 0 | 0 | 110.5 | ||
| 308 | V | 28.4 | Very low | 31.2 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 146.4 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 309 | L | 27 | Very low | 31.5 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -140.5 | 143.1 | 161.2 | -112.6 | 169.2 | 0 | 0 | 0 | 112.3 | ||||
| 310 | T | 29.6 | Very low | 31.4 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -89.9 | 150 | -159.4 | -36.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 311 | P | 29.2 | Very low | 31.5 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -81.7 | 153.4 | 169.9 | 33.2 | -35.1 | 0 | 0 | 0 | 113.2 | ||||
| 312 | L | 29.8 | Very low | 32.1 | Very low | 168 Ų | 168 | 141 Ų | 141 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -120.8 | 146.4 | 178.7 | -166 | 67.4 | 0 | 0 | 0 | 109.8 | ||||
| 313 | P | 33.7 | Very low | 32.2 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -77.4 | 169.3 | -170.2 | 30.7 | -36.8 | 0 | 0 | 0 | 114.7 | ||||
| 314 | P | 39.8 | Very low | 32.6 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -83.2 | 150.6 | -171.6 | 33.8 | -35.7 | 0 | 0 | 0 | 113.6 | ||||
| 315 | S | 28.3 | Very low | 32.7 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -122.8 | 142.3 | 163.2 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 316 | A | 34.9 | Very low | 32.2 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 60% | 0.603 | 80% | 0.8 | S | S | * | * | trans | -81.3 | 164 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 317 | D | 30.6 | Very low | 32 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | 37.7 | 122.1 | 157.4 | -50.3 | -36.7 | 0 | 0 | 0 | 117.5 | ||||
| 318 | D | 34.2 | Very low | 32 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | -167.3 | 167.7 | 63.9 | -129.8 | -42.5 | 0 | 0 | 0 | 114.5 | |||||
| 319 | N | 34.8 | Very low | 32.2 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -24.6 | 147.8 | 178.6 | -78.3 | -90.5 | 0 | 0 | 0 | 122.5 | ||||
| 320 | L | 32.9 | Very low | 32.3 | Very low | 159 Ų | 159 | 136 Ų | 136 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 113.9 | 125.7 | 151.1 | -60.3 | 179.1 | 0 | 0 | 0 | 119.6 | ||||
| 321 | K | 31.8 | Very low | 32.5 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | 68.6 | 104.8 | 157.2 | -78 | 174 | 175.8 | 171 | 0 | 120.2 | ||||
| 322 | T | 42.5 | Very low | 32.7 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 128.5 | 154.2 | -21.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 323 | P | 34.7 | Very low | 32.8 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 162.1 | 160.9 | 34.5 | -29.2 | 0 | 0 | 0 | 111.6 | ||
| 324 | P | 36.8 | Very low | 32.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 159.2 | -147.8 | 34.7 | -37.6 | 0 | 0 | 0 | 116.2 | C326 | P324-C326 PolarHBondContact O-N 3.25Š|
| 325 | E | 32.2 | Very low | 32.1 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -65.3 | 111.8 | 161.3 | -63.2 | -175.5 | 147.9 | 0 | 0 | 109.9 | L327 | E325-L327 PolarHBondContact O-N 3.32Š| ||
| 326 | C | 26.7 | Very low | 32 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -73.5 | 95.4 | 172.7 | -77 | 0 | 0 | 0 | 0 | 110.8 | P324 L328 | P324-C326 PolarHBondContact O-N 3.25Å; C326-L328 PolarHBondContact O-N 3Å | ||
| 327 | L | 26.7 | Very low | 31.9 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -55 | 122 | 164.9 | -59.1 | 172.6 | 0 | 0 | 0 | 110.3 | E325 T329 | E325-L327 PolarHBondContact O-N 3.32Å; L327-T329 PolarHBondContact O-N 3.35Å | ||
| 328 | L | 28 | Very low | 32 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | trans | -87.3 | 93.7 | 159.7 | -87 | 171.5 | 0 | 0 | 0 | 108.7 | C326 | C326-L328 PolarHBondContact O-N 3Š| ||
| 329 | T | 31.6 | Very low | 31.8 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 134 | 173.6 | -13.8 | 0 | 0 | 0 | 0 | 110.4 | L327 | L327-T329 PolarHBondContact O-N 3.35Š|
| 330 | P | 30.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 149.5 | 173.8 | 29.1 | -33.1 | 0 | 0 | 0 | 111.9 | ||
| 331 | L | 31.8 | Very low | 31.4 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63 | 140.8 | 177.9 | -165.7 | 72.3 | 0 | 0 | 0 | 111 | ||
| 332 | P | 34.1 | Very low | 32.1 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 154.1 | -177.2 | 27.8 | -35.6 | 0 | 0 | 0 | 113.2 | ||
| 333 | P | 31.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 140.2 | -178 | 32.3 | -34.4 | 0 | 0 | 0 | 112 | ||
| 334 | S | 27.8 | Very low | 31.7 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.4 | 157.6 | -167.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 335 | A | 31.6 | Very low | 31.1 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | trans | -78.2 | -176.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 336 | D | 26.6 | Very low | 30.8 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 69.7 | 110 | -175.1 | -51.9 | -13.8 | 0 | 0 | 0 | 113.2 | ||||
| 337 | D | 32.6 | Very low | 31 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | S | Bend | cis | -155.9 | 150.1 | 9.4 | -137.3 | -15.9 | 0 | 0 | 0 | 116.8 | ||
| 338 | N | 32.3 | Very low | 31 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 59% | 0.594 | 78% | 0.781 | S | S | * | * | trans | 63.5 | 99.7 | 162.6 | -70.2 | -66.4 | 0 | 0 | 0 | 122.9 | ||||
| 339 | L | 30.4 | Very low | 31.6 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | 50.8 | 135.5 | 115.5 | -56.8 | 179.4 | 0 | 0 | 0 | 119.3 | |||||
| 340 | K | 29.9 | Very low | 31.3 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -157.7 | 172.6 | 11.4 | -136.9 | 153.8 | -174.1 | 160.9 | 0 | 112.5 | ||||
| 341 | T | 28.4 | Very low | 31.5 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -74 | 168.1 | -163.1 | 18.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 342 | P | 47.7 | Very low | 31.6 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -85.1 | -175.7 | -176.4 | 39 | -38.4 | 0 | 0 | 0 | 112.8 | ||||
| 343 | P | 34.3 | Very low | 31.4 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | -147.7 | 176 | 104.5 | 39.3 | -23.8 | 0 | 0 | 0 | 115.9 | |||||
| 344 | E | 34.4 | Very low | 31.4 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 146.6 | 164.6 | -51.3 | -177.8 | 135.7 | 0 | 0 | 111.7 | ||||
| 345 | C | 24 | Very low | 31.8 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | 179.7 | 130.2 | 136.1 | -98.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 346 | L | 24.9 | Very low | 31.9 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | 67.2 | 149.5 | 140.2 | -55.5 | -179.5 | 0 | 0 | 0 | 122.9 | ||||
| 347 | L | 31.6 | Very low | 32.1 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -75.4 | 133.7 | 177.4 | -77.5 | 148.5 | 0 | 0 | 0 | 113.2 | ||||
| 348 | T | 27.3 | Very low | 32.3 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -167.6 | 146.5 | 133.5 | 3.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 349 | P | 39.5 | Very low | 32.7 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -106.6 | 143.4 | -179.8 | 37.6 | -29.9 | 0 | 0 | 0 | 113.5 | ||||
| 350 | L | 26.1 | Very low | 33.3 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -162.1 | 177.1 | 159.4 | -134.6 | 73.8 | 0 | 0 | 0 | 111.2 | ||||
| 351 | P | 35.5 | Very low | 33.3 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | -107.6 | 174.2 | -108 | 39.7 | -26 | 0 | 0 | 0 | 114.7 | |||||
| 352 | P | 33.1 | Very low | 33.6 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -85 | 135.4 | 179.4 | 33.3 | -34 | 0 | 0 | 0 | 113.9 | ||||
| 353 | S | 30.4 | Very low | 32.8 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -142.9 | 154.3 | 168.7 | -67.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 354 | A | 30.7 | Very low | 32.9 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | cis | -158.7 | 155 | -26.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 355 | L | 35.9 | Very low | 32.8 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 135.7 | -176.2 | -161.4 | 76.1 | 0 | 0 | 0 | 111.1 | ||
| 356 | P | 35.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80 | 146.5 | 175.7 | 31.4 | -33.5 | 0 | 0 | 0 | 112.9 | ||
| 357 | S | 30.7 | Very low | 33.5 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 166.8 | -170 | -58.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 358 | A | 36.6 | Very low | 33.4 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -73.3 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 359 | P | 40.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -144.8 | -174.8 | 123.2 | 42.2 | -27.6 | 0 | 0 | 0 | 113 | |||||
| 360 | P | 43.6 | Very low | 32.8 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | -136.2 | 159.1 | -62.4 | 40.5 | -25.4 | 0 | 0 | 0 | 115.8 | |||||
| 361 | S | 30.1 | Very low | 32.9 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 41.2 | 123.3 | 138 | -161.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 362 | A | 32.9 | Very low | 32.4 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | -156.2 | 124.5 | 125.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 363 | D | 32.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 134 Ų | 134 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | 70.4 | 87.1 | 143.6 | -49.1 | -17.1 | 0 | 0 | 0 | 122.4 | ||||
| 364 | D | 35.1 | Very low | 32.4 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | 19.8 | 123.4 | 128.7 | -68.6 | -42.6 | 0 | 0 | 0 | 121.6 | |||||
| 365 | N | 32.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | -156.9 | 135.8 | 121.2 | -119.6 | -89.3 | 0 | 0 | 0 | 114.9 | |||||
| 366 | L | 34.1 | Very low | 32.6 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 58.5 | 84.3 | 155.9 | -143.2 | 64.1 | 0 | 0 | 0 | 121.5 | ||||
| 367 | K | 30.6 | Very low | 32.6 | Very low | 184 Ų | 184 | 139 Ų | 139 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -39.1 | 147.9 | 142.2 | -135.9 | 166.3 | 178.2 | 168.1 | 0 | 111.2 | ||||
| 368 | T | 29.6 | Very low | 33.1 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | cis | -174.7 | 155.9 | 43.4 | -40.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 369 | R | 26.3 | Very low | 33.3 | Very low | 222 Ų | 222 | 140 Ų | 140 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | 40.6 | 123.1 | 154.7 | -82.1 | 179.1 | 151.6 | 155.3 | -7.4 | 120.1 | ||||
| 370 | A | 27.4 | Very low | 33 | Very low | 79 Ų | 79 | 140 Ų | 140 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | 80.8 | 141.9 | 62.4 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 371 | E | 29.3 | Very low | 32.6 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | 63.8 | 110.1 | 169.1 | -64.6 | 168.7 | -144.2 | 0 | 0 | 117.1 | ||||
| 372 | C | 25.1 | Very low | 33.3 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | -165.1 | 144.9 | 108.6 | -97.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 373 | L | 31.7 | Very low | 33.8 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -67.2 | 146.3 | 165.9 | -64.2 | 160.3 | 0 | 0 | 0 | 109.6 | ||||
| 374 | L | 31.2 | Very low | 34.2 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -142.9 | 76.9 | 162.1 | -120.4 | 158 | 0 | 0 | 0 | 111 | ||||
| 375 | H | 34.7 | Very low | 34.5 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 134.1 | 152.9 | -91.7 | -99.4 | 0 | 0 | 0 | 109 | ||
| 376 | P | 35.1 | Very low | 34.9 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 130.5 | 159.4 | -16.8 | 31.8 | 0 | 0 | 0 | 110.3 | ||
| 377 | L | 35 | Very low | 35.1 | Very low | 162 Ų | 162 | 157 Ų | 157 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 160.3 | 170.8 | -117 | 86.2 | 0 | 0 | 0 | 111.3 | ||
| 378 | P | 42.1 | Very low | 35.5 | Very low | 105 Ų | 105 | 159.3 Ų | 159.3 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 162.8 | 179.2 | 34.7 | -34.2 | 0 | 0 | 0 | 112.6 | ||
| 379 | P | 40.2 | Very low | 36 | Very low | 132 Ų | 132 | 162 Ų | 162 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 143.4 | 176 | 28.7 | -34.7 | 0 | 0 | 0 | 112.6 | ||
| 380 | S | 34.2 | Very low | 36.8 | Very low | 119 Ų | 119 | 160.5 Ų | 160.5 | 83% | 0.832 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 142.3 | -176.9 | 43 | 0 | 0 | 0 | 0 | 114 | ||
| 381 | L | 35.7 | Very low | 37.3 | Very low | 165 Ų | 165 | 164.6 Ų | 164.6 | 86% | 0.864 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 152.7 | 160.8 | -138 | 97.2 | 0 | 0 | 0 | 109 | ||
| 382 | P | 44.8 | Very low | 37.7 | Very low | 115 Ų | 115 | 164.1 Ų | 164.1 | 75% | 0.747 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 152.7 | -170.1 | 33.2 | -31.7 | 0 | 0 | 0 | 113.9 | ||
| 383 | E | 42.9 | Very low | 38.4 | Very low | 183 Ų | 183 | 166 Ų | 166 | 86% | 0.855 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142.8 | 177.5 | -65.3 | -173.1 | 127.7 | 0 | 0 | 113.9 | ||
| 384 | P | 41.4 | Very low | 38.8 | Very low | 126 Ų | 126 | 166.6 Ų | 166.6 | 82% | 0.818 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 128.4 | 152.8 | 32.5 | -27.5 | 0 | 0 | 0 | 111.2 | ||
| 385 | K | 40.6 | Very low | 39.3 | Very low | 200 Ų | 200 | 166.8 Ų | 166.8 | 87% | 0.87 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 142.2 | -178.3 | -68.9 | 172.2 | 177.2 | 172.8 | 0 | 113.2 | R387 | K385-R387 PolarHBondContact O-N 3.39Š|
| 386 | R | 41.4 | Very low | 39.6 | Very low | 249 Ų | 249 | 167.3 Ų | 167.3 | 94% | 0.94 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 133.4 | 164.5 | -74.6 | -179.4 | 173.2 | -178.4 | -2.8 | 111.7 | ||
| 387 | R | 37.5 | Very low | 39.9 | Very low | 249 Ų | 249 | 170.7 Ų | 170.7 | 94% | 0.94 | 88% | 0.88 | S | S | * | * | trans | -121.2 | 138.3 | 149.6 | -86 | -171.3 | 171.4 | -176.4 | -1.8 | 110.2 | K385 | K385-R387 PolarHBondContact O-N 3.39Š| ||
| 388 | R | 39.6 | Very low | 40.3 | Very low | 231 Ų | 231 | 171.4 Ų | 171.4 | 87% | 0.872 | 88% | 0.882 | S | S | * | * | trans | -64 | 177.1 | -173.5 | -68.4 | 176.6 | 166.4 | -140.4 | 0.5 | 114.6 | ||||
| 389 | L | 39.3 | Very low | 40.2 | Very low | 162 Ų | 162 | 176.9 Ų | 176.9 | 85% | 0.848 | 90% | 0.899 | S | S | * | * | trans | 89.2 | 134.1 | 163.4 | -56 | 149.1 | 0 | 0 | 0 | 112.1 | ||||
| 390 | S | 44.3 | Very low | 40.2 | Very low | 192 Ų | 192 | 181 Ų | 181 | 100% | 1.343 | 90% | 0.902 | S | S | * | * | cis | -127.1 | 0 | 17.6 | -48.4 | 0 | 0 | 0 | 0 | 112.5 |
Retrieved 390 of 390 residues in 243.6 ms
(Link to these results)