| 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 | T | 57.1 | Low | 56.3 | Low | 195 Ų | 195 | 145.1 Ų | 145.1 | 100% | 1.196 | 79% | 0.789 | S | S | * | * | 0 | 104.5 | 0 | -46.1 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 2 | D | 53.9 | Low | 56.6 | Low | 155 Ų | 155 | 139.8 Ų | 139.8 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | -158.3 | 104.5 | 161.8 | -155 | -102.9 | 0 | 0 | 0 | 108.2 | ||||
| 3 | L | 57.9 | Low | 57.1 | Low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -123 | 128.6 | 166.8 | -83.3 | 169.5 | 0 | 0 | 0 | 105.8 | ||||
| 4 | P | 62.2 | Low | 59 | Low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | trans | -70.3 | 147.6 | -177.7 | 28.6 | -32.8 | 0 | 0 | 0 | 110.4 | R6 | P4-R6 PolarHBondContact O-N 3.17Š| ||
| 5 | P | 62.1 | Low | 60.8 | Low | 120 Ų | 120 | 127.7 Ų | 127.7 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | -69.8 | 122.8 | -174.4 | 27.5 | -32.6 | 0 | 0 | 0 | 110.5 | N7 | P5-N7 PolarHBondContact O-N 3.27Š| ||
| 6 | R | 58.8 | Low | 62.6 | Low | 222 Ų | 222 | 128.6 Ų | 128.6 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | trans | -70.9 | 94.3 | 174.8 | -160.6 | 174 | -170.8 | 161.8 | 1 | 108.9 | P4 L8 | P4-R6 PolarHBondContact O-N 3.17Å; R6-L8 HydrophobicContact CG-CG 4.45Å; R6-L8 PolarHBondContact O-N 3.09Å | ||
| 7 | N | 55.2 | Low | 64.2 | Low | 118 Ų | 118 | 125.7 Ų | 125.7 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | trans | -71.1 | 90.9 | 177.2 | -146 | -69.6 | 0 | 0 | 0 | 109.6 | P5 G9 | P5-N7 PolarHBondContact O-N 3.27Å; N7-G9 VanDerWaalsContact C-N 3.26Å; N7-G9 PolarHBondContact O-N 2.73Å | ||
| 8 | L | 54.4 | Low | 65.7 | Low | 125 Ų | 125 | 126.6 Ų | 126.6 | 65% | 0.654 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 7.8 | 178.8 | -86.5 | 158.8 | 0 | 0 | 0 | 113.6 | R6 | R6-L8 HydrophobicContact CG-CG 4.45Å; R6-L8 PolarHBondContact O-N 3.09Å |
| 9 | G | 51.8 | Low | 67.2 | Low | 68 Ų | 68 | 128.5 Ų | 128.5 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -7.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N7 | N7-G9 VanDerWaalsContact C-N 3.26Å; N7-G9 PolarHBondContact O-N 2.73Å |
| 10 | Q | 52.1 | Low | 68.7 | Low | 166 Ų | 166 | 127.6 Ų | 127.6 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | trans | -133.5 | 44.5 | -175.4 | -65.7 | -165.8 | 79.6 | 0 | 0 | 112.5 | A12 | Q10-A12 PolarHBondContact O-N 2.96Š| ||
| 11 | Q | 53.3 | Low | 69.9 | Low | 159 Ų | 159 | 125.9 Ų | 125.9 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -67.2 | 86.8 | 157.8 | -71.3 | -166.9 | 46 | 0 | 0 | 107.2 | L13 | Q11-L13 PolarHBondContact O-N 3.24Š| ||
| 12 | A | 59.8 | Low | 71.8 | Confident | 81 Ų | 81 | 121.3 Ų | 121.3 | 67% | 0.669 | 63% | 0.634 | S | S | * | * | trans | -44.2 | 115.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q10 S14 | Q10-A12 PolarHBondContact O-N 2.96Å; A12-S14 PolarHBondContact O-N 2.72Å | ||
| 13 | L | 63.4 | Low | 73.8 | Confident | 94 Ų | 94 | 118.8 Ų | 118.8 | 49% | 0.492 | 62% | 0.617 | S | S | . | * | trans | -39.1 | 121.5 | 177.4 | -67.5 | 160.3 | 0 | 0 | 0 | 107.5 | Q11 L17 | Q11-L13 PolarHBondContact O-N 3.24Å; L13-L17 HydrophobicContact CB-CD2 4.3Å; L13-L17 HydrophobicContact CD2-CD2 3.38Å; L13-L17 HydrophobicContact CD2-CG 4.29Å; L13-L17 HydrophobicContact CG-CD2 4.43Å | ||
| 14 | S | 83.8 | Confident | 75.7 | Confident | 57 Ų | 57 | 117.3 Ų | 117.3 | 40% | 0.399 | 61% | 0.606 | S | S | . | * | trans | -49.5 | 144.2 | -173.8 | 69.4 | 0 | 0 | 0 | 0 | 109.3 | A12 Q16 L17 R18 | A12-S14 PolarHBondContact O-N 2.72Å; S14-Q16 PolarHBondContact O-N 2.7Å; S14-L17 PolarHBondContact O-N 3.44Å; S14-L17 WeakPolarHBondContact OG-CB 3.4Å; S14-L17 PolarHBondContact OG-N 2.78Å; S14-R18 PolarHBondContact O-N 2.98Å; S14-R18 VanDerWaalsContact O-N 3.13Å | ||
| 15 | P | 86.5 | Confident | 77.4 | Confident | 88 Ų | 88 | 119.8 Ų | 119.8 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -53.1 | -26.2 | 179.9 | -27.9 | 34.3 | 0 | 0 | 0 | 113.4 | R19 | P15-R19 PolarHBondContact O-N 3.35Å |
| 16 | Q | 89.3 | Confident | 79.1 | Confident | 142 Ų | 142 | 119.5 Ų | 119.5 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.6 | -46.2 | 172.4 | -72.7 | -179.4 | -46.2 | 0 | 0 | 113 | S14 R18 R19 L20 | S14-Q16 PolarHBondContact O-N 2.7Å; Q16-R18 VanDerWaalsContact C-N 3.31Å; Q16-R18 PolarHBondContact O-N 2.95Å; Q16-R19 PolarHBondContact O-N 3.28Å; Q16-L20 PolarHBondContact O-N 3.31Å |
| 17 | L | 90.5 | Very high | 80.9 | Confident | 79 Ų | 79 | 113.6 Ų | 113.6 | 41% | 0.414 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.7 | -38.5 | 178.7 | -173 | 59.4 | 0 | 0 | 0 | 111.5 | L13 S14 L20 E21 | L13-L17 HydrophobicContact CB-CD2 4.3Å; L13-L17 HydrophobicContact CD2-CD2 3.38Å; L13-L17 HydrophobicContact CD2-CG 4.29Å; L13-L17 HydrophobicContact CG-CD2 4.43Å; S14-L17 PolarHBondContact O-N 3.44Å; S14-L17 WeakPolarHBondContact OG-CB 3.4Å; S14-L17 PolarHBondContact OG-N 2.78Å; L17-L20 PolarHBondContact O-N 3.02Å; L17-E21 WeakPolarHBondContact O-CB 3.39Å; L17-E21 PolarHBondContact O-N 3.28Å |
| 18 | R | 90.4 | Very high | 83 | Confident | 141 Ų | 141 | 113.3 Ų | 113.3 | 53% | 0.532 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.7 | -44.5 | 173.5 | -169.7 | -176.8 | -61.9 | 158 | 2.6 | 111.9 | S14 Q16 L20 E21 Q22 | S14-R18 PolarHBondContact O-N 2.98Å; S14-R18 VanDerWaalsContact O-N 3.13Å; Q16-R18 VanDerWaalsContact C-N 3.31Å; Q16-R18 PolarHBondContact O-N 2.95Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 2.86Å; R18-E21 PolarHBondContact O-N 3.36Å; R18-Q22 VanDerWaalsContact O-CG 3.24Å; R18-Q22 WeakPolarHBondContact O-CG 3.19Å; R18-Q22 PolarHBondContact O-N 3.14Å |
| 19 | R | 94.3 | Very high | 85 | Confident | 163 Ų | 163 | 113.6 Ų | 113.6 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61 | -42 | 175.7 | -80.3 | -171.6 | -71.4 | -101.4 | 2.9 | 112 | P15 Q16 Q22 H23 | P15-R19 PolarHBondContact O-N 3.35Å; Q16-R19 PolarHBondContact O-N 3.28Å; R19-Q22 PolarHBondContact O-N 3.42Å; R19-H23 WeakPolarHBondContact O-CB 3.42Å; R19-H23 PolarHBondContact O-N 3.45Å |
| 20 | L | 96.3 | Very high | 87.2 | Confident | 110 Ų | 110 | 115 Ų | 115 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.5 | -44.5 | 178 | -177.1 | 63.9 | 0 | 0 | 0 | 111.9 | Q16 L17 R18 Q22 H23 Q24 | Q16-L20 PolarHBondContact O-N 3.31Å; L17-L20 PolarHBondContact O-N 3.02Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 2.86Å; L20-Q22 PolarHBondContact O-N 3.2Å; L20-H23 PolarHBondContact O-N 3.4Å; L20-Q24 WeakPolarHBondContact O-CB 3.47Å; L20-Q24 PolarHBondContact O-N 2.84Å |
| 21 | E | 95.2 | Very high | 89.4 | Confident | 92 Ų | 92 | 113.4 Ų | 113.4 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -43.2 | 176.9 | -174.8 | -176 | 78.1 | 0 | 0 | 111.6 | L17 R18 H23 Q24 R25 | L17-E21 WeakPolarHBondContact O-CB 3.39Å; L17-E21 PolarHBondContact O-N 3.28Å; R18-E21 PolarHBondContact O-N 3.36Å; E21-H23 PolarHBondContact O-N 3.07Å; E21-Q24 PolarHBondContact O-N 2.99Å; E21-R25 WeakPolarHBondContact O-CG 3.2Å; E21-R25 PolarHBondContact O-N 2.84Å |
| 22 | Q | 96.1 | Very high | 91.4 | Very high | 100 Ų | 100 | 111.3 Ų | 111.3 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.1 | -68.6 | -62.6 | -48.2 | 0 | 0 | 111.7 | R18 R19 L20 Q24 R25 Q26 | R18-Q22 VanDerWaalsContact O-CG 3.24Å; R18-Q22 WeakPolarHBondContact O-CG 3.19Å; R18-Q22 PolarHBondContact O-N 3.14Å; R19-Q22 PolarHBondContact O-N 3.42Å; L20-Q22 PolarHBondContact O-N 3.2Å; Q22-Q24 PolarHBondContact O-N 2.83Å; Q22-R25 PolarHBondContact O-N 2.83Å; Q22-Q26 WeakPolarHBondContact O-CB 3.33Å; Q22-Q26 PolarHBondContact O-N 3.44Å |
| 23 | H | 97.1 | Very high | 93.2 | Very high | 101 Ų | 101 | 115.5 Ų | 115.5 | 47% | 0.468 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 177 | -171.2 | 76.2 | 0 | 0 | 0 | 112.2 | R19 L20 E21 R25 Q26 L27 | R19-H23 WeakPolarHBondContact O-CB 3.42Å; R19-H23 PolarHBondContact O-N 3.45Å; L20-H23 PolarHBondContact O-N 3.4Å; E21-H23 PolarHBondContact O-N 3.07Å; H23-R25 PolarHBondContact O-N 2.85Å; H23-Q26 WeakPolarHBondContact O-CB 3.4Å; H23-Q26 PolarHBondContact O-N 3.34Å; H23-L27 WeakPolarHBondContact O-CG 3.43Å; H23-L27 PolarHBondContact O-N 2.78Å |
| 24 | Q | 96.9 | Very high | 94.8 | Very high | 134 Ų | 134 | 120 Ų | 120 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.9 | -44.4 | 175.3 | -174 | -171 | 85.4 | 0 | 0 | 111.3 | L20 E21 Q22 Q26 L27 L28 | L20-Q24 WeakPolarHBondContact O-CB 3.47Å; L20-Q24 PolarHBondContact O-N 2.84Å; E21-Q24 PolarHBondContact O-N 2.99Å; Q22-Q24 PolarHBondContact O-N 2.83Å; Q24-Q26 VanDerWaalsContact C-N 3.32Å; Q24-Q26 PolarHBondContact O-N 2.86Å; Q24-L27 PolarHBondContact O-N 3.1Å; Q24-L28 PolarHBondContact O-N 2.81Å; Q24-L28 VanDerWaalsContact O-N 3.08Å |
| 25 | R | 97.1 | Very high | 95.4 | Very high | 155 Ų | 155 | 119.1 Ų | 119.1 | 59% | 0.585 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 175 | -70.5 | -178.4 | 84.9 | -115.8 | 2.6 | 111.3 | E21 Q22 H23 L27 L28 E29 | E21-R25 WeakPolarHBondContact O-CG 3.2Å; E21-R25 PolarHBondContact O-N 2.84Å; Q22-R25 PolarHBondContact O-N 2.83Å; H23-R25 PolarHBondContact O-N 2.85Å; R25-L27 PolarHBondContact O-N 2.95Å; R25-L28 PolarHBondContact O-N 3.38Å; R25-E29 WeakPolarHBondContact O-CB 3.5Å; R25-E29 PolarHBondContact O-N 3.42Å |
| 26 | Q | 97.8 | Very high | 95.8 | Very high | 115 Ų | 115 | 120.7 Ų | 120.7 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 178.7 | -172.6 | 175.9 | 0.5 | 0 | 0 | 112.3 | Q22 H23 Q24 E29 L30 | Q22-Q26 WeakPolarHBondContact O-CB 3.33Å; Q22-Q26 PolarHBondContact O-N 3.44Å; H23-Q26 WeakPolarHBondContact O-CB 3.4Å; H23-Q26 PolarHBondContact O-N 3.34Å; Q24-Q26 VanDerWaalsContact C-N 3.32Å; Q24-Q26 PolarHBondContact O-N 2.86Å; Q26-E29 PolarHBondContact O-N 3.48Å; Q26-L30 HydrophobicContact CG-CD1 4.39Å; Q26-L30 WeakPolarHBondContact O-CB 3.3Å; Q26-L30 PolarHBondContact O-N 3.39Å |
| 27 | L | 98.3 | Very high | 96 | Very high | 98 Ų | 98 | 119.6 Ų | 119.6 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175 | -75.2 | 172.1 | 0 | 0 | 0 | 111.8 | H23 Q24 R25 E29 L30 Q31 | H23-L27 WeakPolarHBondContact O-CG 3.43Å; H23-L27 PolarHBondContact O-N 2.78Å; Q24-L27 PolarHBondContact O-N 3.1Å; R25-L27 PolarHBondContact O-N 2.95Å; L27-E29 VanDerWaalsContact C-N 3.34Å; L27-L30 PolarHBondContact O-N 3.31Å; L27-Q31 PolarHBondContact O-N 2.89Å |
| 28 | L | 98 | Very high | 96.3 | Very high | 112 Ų | 112 | 118.2 Ų | 118.2 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 177.8 | -162 | 80.6 | 0 | 0 | 0 | 111.3 | Q24 R25 Q31 Q32 | Q24-L28 PolarHBondContact O-N 2.81Å; Q24-L28 VanDerWaalsContact O-N 3.08Å; R25-L28 PolarHBondContact O-N 3.38Å; L28-Q31 PolarHBondContact O-N 3.27Å; L28-Q32 WeakPolarHBondContact O-CB 3.19Å; L28-Q32 PolarHBondContact O-N 3.29Å |
| 29 | E | 97.8 | Very high | 96.6 | Very high | 131 Ų | 131 | 119.8 Ų | 119.8 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 176.9 | -168.4 | -179.4 | 139.8 | 0 | 0 | 111.6 | R25 Q26 L27 Q31 Q32 R33 | R25-E29 WeakPolarHBondContact O-CB 3.5Å; R25-E29 PolarHBondContact O-N 3.42Å; Q26-E29 PolarHBondContact O-N 3.48Å; L27-E29 VanDerWaalsContact C-N 3.34Å; E29-Q31 PolarHBondContact O-N 3.12Å; E29-Q32 PolarHBondContact O-N 3.43Å; E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 PolarHBondContact O-N 2.72Å |
| 30 | L | 98.1 | Very high | 96.7 | Very high | 97 Ų | 97 | 115.3 Ų | 115.3 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 174.5 | -105.1 | 146.8 | 0 | 0 | 0 | 112.4 | Q26 L27 R33 R34 | Q26-L30 HydrophobicContact CG-CD1 4.39Å; Q26-L30 WeakPolarHBondContact O-CB 3.3Å; Q26-L30 PolarHBondContact O-N 3.39Å; L27-L30 PolarHBondContact O-N 3.31Å; L30-R33 PolarHBondContact O-N 2.85Å; L30-R34 WeakPolarHBondContact O-CB 3.2Å; L30-R34 PolarHBondContact O-N 3.12Å |
| 31 | Q | 96.6 | Very high | 96.7 | Very high | 132 Ų | 132 | 114.8 Ų | 114.8 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 175.4 | -174.1 | -169.5 | 67.6 | 0 | 0 | 110.9 | L27 L28 E29 R33 R34 A35 | L27-Q31 PolarHBondContact O-N 2.89Å; L28-Q31 PolarHBondContact O-N 3.27Å; E29-Q31 PolarHBondContact O-N 3.12Å; Q31-R33 PolarHBondContact O-N 3.45Å; Q31-R34 PolarHBondContact O-N 3.26Å; Q31-A35 WeakPolarHBondContact O-CB 3.36Å; Q31-A35 PolarHBondContact O-N 3.43Å |
| 32 | Q | 97 | Very high | 96.7 | Very high | 116 Ų | 116 | 116 Ų | 116 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 178.5 | -167.5 | -173.1 | 86.6 | 0 | 0 | 111.1 | L28 E29 R34 A35 Q36 | L28-Q32 WeakPolarHBondContact O-CB 3.19Å; L28-Q32 PolarHBondContact O-N 3.29Å; E29-Q32 PolarHBondContact O-N 3.43Å; Q32-R34 VanDerWaalsContact C-N 3.35Å; Q32-R34 PolarHBondContact O-N 3.21Å; Q32-A35 PolarHBondContact O-N 3.37Å; Q32-Q36 WeakPolarHBondContact O-CB 3.23Å; Q32-Q36 WeakPolarHBondContact O-CG 3.5Å; Q32-Q36 PolarHBondContact O-N 2.92Å |
| 33 | R | 96.9 | Very high | 96.8 | Very high | 168 Ų | 168 | 119.5 Ų | 119.5 | 63% | 0.634 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 176.6 | -171.3 | 174.4 | -178 | -90.2 | 0.6 | 111.5 | E29 L30 Q31 Q36 Q37 | E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 PolarHBondContact O-N 2.72Å; L30-R33 PolarHBondContact O-N 2.85Å; Q31-R33 PolarHBondContact O-N 3.45Å; R33-Q36 PolarHBondContact O-N 3.32Å; R33-Q37 WeakPolarHBondContact O-CB 3.33Å; R33-Q37 PolarHBondContact O-N 3.4Å |
| 34 | R | 96.5 | Very high | 96.8 | Very high | 190 Ų | 190 | 122.5 Ų | 122.5 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.1 | -47.2 | 173.9 | -174.9 | -175.5 | -66.8 | -169.3 | -1.4 | 111.3 | L30 Q31 Q32 Q37 S38 | L30-R34 WeakPolarHBondContact O-CB 3.2Å; L30-R34 PolarHBondContact O-N 3.12Å; Q31-R34 PolarHBondContact O-N 3.26Å; Q32-R34 VanDerWaalsContact C-N 3.35Å; Q32-R34 PolarHBondContact O-N 3.21Å; R34-Q37 PolarHBondContact O-N 2.85Å; R34-S38 PolarHBondContact O-N 3.22Å; R34-S38 PolarHBondContact O-OG 3.46Å |
| 35 | A | 95.9 | Very high | 96.9 | Very high | 38 Ų | 38 | 120.9 Ų | 120.9 | 31% | 0.314 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.5 | -38.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q31 Q32 Q37 S38 R39 | Q31-A35 WeakPolarHBondContact O-CB 3.36Å; Q31-A35 PolarHBondContact O-N 3.43Å; Q32-A35 PolarHBondContact O-N 3.37Å; A35-Q37 VanDerWaalsContact C-N 3.31Å; A35-S38 PolarHBondContact O-OG 3.09Å; A35-R39 WeakPolarHBondContact O-CB 3.38Å; A35-R39 WeakPolarHBondContact O-CG 3.35Å; A35-R39 PolarHBondContact O-N 2.87Å |
| 36 | Q | 95.1 | Very high | 97 | Very high | 120 Ų | 120 | 118.7 Ų | 118.7 | 56% | 0.561 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.9 | -35.4 | 174.8 | -76 | -170.7 | 61.8 | 0 | 0 | 111.8 | Q32 R33 P40 | Q32-Q36 WeakPolarHBondContact O-CB 3.23Å; Q32-Q36 WeakPolarHBondContact O-CG 3.5Å; Q32-Q36 PolarHBondContact O-N 2.92Å; R33-Q36 PolarHBondContact O-N 3.32Å; Q36-P40 WeakPolarHBondContact O-CD 3.24Å |
| 37 | Q | 94.3 | Very high | 97 | Very high | 120 Ų | 120 | 119.1 Ų | 119.1 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.1 | -37.4 | 177.7 | -169.9 | 173.7 | -1.6 | 0 | 0 | 112.4 | R33 R34 A35 P40 | R33-Q37 WeakPolarHBondContact O-CB 3.33Å; R33-Q37 PolarHBondContact O-N 3.4Å; R34-Q37 PolarHBondContact O-N 2.85Å; A35-Q37 VanDerWaalsContact C-N 3.31Å; Q37-P40 WeakPolarHBondContact O-CD 3.37Å; Q37-P40 WeakPolarHBondContact O-CG 3.33Å |
| 38 | S | 96.4 | Very high | 97 | Very high | 50 Ų | 50 | 119.3 Ų | 119.3 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -79.3 | -31.3 | -178.4 | 68.1 | 0 | 0 | 0 | 0 | 113.6 | R34 A35 Q41 Q42 | R34-S38 PolarHBondContact O-N 3.22Å; R34-S38 PolarHBondContact O-OG 3.46Å; A35-S38 PolarHBondContact O-OG 3.09Å; S38-Q41 PolarHBondContact O-N 3.2Å; S38-Q42 WeakPolarHBondContact O-CB 3.21Å; S38-Q42 PolarHBondContact O-N 3.13Å |
| 39 | R | 96.4 | Very high | 97 | Very high | 173 Ų | 173 | 120.2 Ų | 120.2 | 65% | 0.653 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -52 | -51.5 | 178.4 | -86.4 | 171.9 | -177.4 | -114.3 | 1.3 | 114.6 | A35 Q41 Q42 R43 | A35-R39 WeakPolarHBondContact O-CB 3.38Å; A35-R39 WeakPolarHBondContact O-CG 3.35Å; A35-R39 PolarHBondContact O-N 2.87Å; R39-Q41 VanDerWaalsContact C-N 3.34Å; R39-Q42 PolarHBondContact O-N 3.47Å; R39-R43 WeakPolarHBondContact O-CG 3.23Å; R39-R43 PolarHBondContact O-N 3.27Å |
| 40 | P | 97.1 | Very high | 97.1 | Very high | 69 Ų | 69 | 119.1 Ų | 119.1 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.7 | -33.8 | 179.1 | 25.8 | -34.2 | 0 | 0 | 0 | 112.3 | Q36 Q37 R43 R44 | Q36-P40 WeakPolarHBondContact O-CD 3.24Å; Q37-P40 WeakPolarHBondContact O-CD 3.37Å; Q37-P40 WeakPolarHBondContact O-CG 3.33Å; P40-R43 PolarHBondContact O-N 3.23Å; P40-R44 WeakPolarHBondContact O-CG 3.34Å; P40-R44 PolarHBondContact O-N 3.04Å |
| 41 | Q | 95.8 | Very high | 97.1 | Very high | 99 Ų | 99 | 120.8 Ų | 120.8 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.4 | -53.5 | 173.2 | -68.3 | -176.6 | -63 | 0 | 0 | 110.3 | S38 R39 R43 R44 D45 | S38-Q41 PolarHBondContact O-N 3.2Å; R39-Q41 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.34Å; Q41-R44 WeakPolarHBondContact O-CA 3.47Å; Q41-R44 PolarHBondContact O-N 3.19Å; Q41-D45 PolarHBondContact O-N 2.93Å |
| 42 | Q | 96.4 | Very high | 97.2 | Very high | 119 Ų | 119 | 120.7 Ų | 120.7 | 56% | 0.556 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -54.4 | -39.8 | 176.5 | -176 | -178.6 | -1.9 | 0 | 0 | 112.2 | S38 R39 L46 | S38-Q42 WeakPolarHBondContact O-CB 3.21Å; S38-Q42 PolarHBondContact O-N 3.13Å; R39-Q42 PolarHBondContact O-N 3.47Å; Q42-L46 PolarHBondContact O-N 3.4Å |
| 43 | R | 97.7 | Very high | 97.3 | Very high | 173 Ų | 173 | 120 Ų | 120 | 65% | 0.653 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.4 | -45.5 | 175.1 | -79 | -162.7 | 63.2 | -131.3 | -15.2 | 112.6 | R39 P40 Q41 D45 L46 E47 | R39-R43 WeakPolarHBondContact O-CG 3.23Å; R39-R43 PolarHBondContact O-N 3.27Å; P40-R43 PolarHBondContact O-N 3.23Å; Q41-R43 PolarHBondContact O-N 3.34Å; R43-D45 VanDerWaalsContact C-N 3.34Å; R43-L46 PolarHBondContact O-N 3.31Å; R43-E47 WeakPolarHBondContact O-CB 3.5Å; R43-E47 PolarHBondContact O-N 2.94Å |
| 44 | R | 97.9 | Very high | 97.3 | Very high | 164 Ų | 164 | 118.5 Ų | 118.5 | 62% | 0.619 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.7 | -42.7 | 176.6 | -74.7 | -163.9 | -63 | -153.3 | 2.3 | 111.3 | P40 Q41 L46 E47 L48 | P40-R44 WeakPolarHBondContact O-CG 3.34Å; P40-R44 PolarHBondContact O-N 3.04Å; Q41-R44 WeakPolarHBondContact O-CA 3.47Å; Q41-R44 PolarHBondContact O-N 3.19Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.43Å; R44-E47 PolarHBondContact O-N 3.48Å; R44-L48 WeakPolarHBondContact O-CB 3.47Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.49Å; R44-L48 PolarHBondContact O-N 2.9Å |
| 45 | D | 98.2 | Very high | 97.4 | Very high | 99 Ų | 99 | 114.9 Ų | 114.9 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 179.6 | -59.5 | -21.6 | 0 | 0 | 0 | 110.9 | Q41 R43 E47 L48 Q49 | Q41-D45 PolarHBondContact O-N 2.93Å; R43-D45 VanDerWaalsContact C-N 3.34Å; D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.36Å; D45-L48 PolarHBondContact O-N 3.5Å; D45-Q49 WeakPolarHBondContact O-CB 3.25Å; D45-Q49 PolarHBondContact O-N 3.44Å |
| 46 | L | 98.4 | Very high | 97.5 | Very high | 109 Ų | 109 | 117.8 Ų | 117.8 | 57% | 0.571 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.1 | -40.8 | 174.5 | -124.3 | 92.6 | 0 | 0 | 0 | 112.4 | Q42 R43 R44 Q49 L50 | Q42-L46 PolarHBondContact O-N 3.4Å; R43-L46 PolarHBondContact O-N 3.31Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.43Å; L46-Q49 PolarHBondContact O-N 3.47Å; L46-L50 WeakPolarHBondContact O-CB 3.43Å; L46-L50 PolarHBondContact O-N 2.72Å |
| 47 | E | 98.2 | Very high | 97.7 | Very high | 124 Ų | 124 | 116.8 Ų | 116.8 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.4 | -42.8 | 179.4 | -167.8 | 172.9 | 137.2 | 0 | 0 | 111.1 | R43 R44 D45 L50 Q51 | R43-E47 WeakPolarHBondContact O-CB 3.5Å; R43-E47 PolarHBondContact O-N 2.94Å; R44-E47 PolarHBondContact O-N 3.48Å; D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.36Å; E47-L50 PolarHBondContact O-N 2.72Å; E47-Q51 WeakPolarHBondContact O-CB 3.43Å; E47-Q51 PolarHBondContact O-N 2.75Å |
| 48 | L | 98.6 | Very high | 97.9 | Very high | 103 Ų | 103 | 116.7 Ų | 116.7 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 173.3 | -71.7 | 172.3 | 0 | 0 | 0 | 111.6 | R44 D45 L50 Q51 Q52 | R44-L48 WeakPolarHBondContact O-CB 3.47Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.49Å; R44-L48 PolarHBondContact O-N 2.9Å; D45-L48 PolarHBondContact O-N 3.5Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.5Å; L48-Q51 PolarHBondContact O-N 2.89Å; L48-Q52 WeakPolarHBondContact O-CB 3.42Å; L48-Q52 PolarHBondContact O-N 3.14Å |
| 49 | Q | 98.6 | Very high | 98 | Very high | 131 Ų | 131 | 119.4 Ų | 119.4 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.1 | -43.6 | 176.9 | -174.3 | -174.2 | -16.7 | 0 | 0 | 111.4 | D45 L46 Q52 Q53 | D45-Q49 WeakPolarHBondContact O-CB 3.25Å; D45-Q49 PolarHBondContact O-N 3.44Å; L46-Q49 PolarHBondContact O-N 3.47Å; Q49-Q52 PolarHBondContact O-N 2.78Å; Q49-Q53 PolarHBondContact O-N 3.23Å |
| 50 | L | 98.7 | Very high | 98 | Very high | 108 Ų | 108 | 118.7 Ų | 118.7 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -42.8 | 177.6 | -178.3 | 62.5 | 0 | 0 | 0 | 111.5 | L46 E47 L48 Q52 Q53 Q54 | L46-L50 WeakPolarHBondContact O-CB 3.43Å; L46-L50 PolarHBondContact O-N 2.72Å; E47-L50 PolarHBondContact O-N 2.72Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.5Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; L50-Q53 PolarHBondContact O-N 3.42Å; L50-Q54 WeakPolarHBondContact O-CB 3.46Å; L50-Q54 PolarHBondContact O-N 3.01Å |
| 51 | Q | 98.5 | Very high | 98.1 | Very high | 132 Ų | 132 | 121.5 Ų | 121.5 | 62% | 0.617 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.1 | -44.3 | 176.7 | -178.7 | 174 | 61.7 | 0 | 0 | 111.5 | E47 L48 Q54 Q55 | E47-Q51 WeakPolarHBondContact O-CB 3.43Å; E47-Q51 PolarHBondContact O-N 2.75Å; L48-Q51 PolarHBondContact O-N 2.89Å; Q51-Q54 PolarHBondContact O-N 2.82Å; Q51-Q55 PolarHBondContact O-N 3.16Å |
| 52 | Q | 98.4 | Very high | 98.2 | Very high | 129 Ų | 129 | 122.9 Ų | 122.9 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.3 | -48.6 | 175.2 | -177.4 | -165.7 | 90 | 0 | 0 | 111 | L48 Q49 L50 Q54 Q55 E56 | L48-Q52 WeakPolarHBondContact O-CB 3.42Å; L48-Q52 PolarHBondContact O-N 3.14Å; Q49-Q52 PolarHBondContact O-N 2.78Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; Q52-Q54 VanDerWaalsContact C-N 3.28Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q52-Q55 WeakPolarHBondContact O-CB 3.33Å; Q52-Q55 PolarHBondContact O-N 3.37Å; Q52-Q55 VanDerWaalsContact O-N 3.13Å; Q52-E56 PolarHBondContact O-N 2.95Å |
| 53 | Q | 98.6 | Very high | 98.3 | Very high | 103 Ų | 103 | 121.9 Ų | 121.9 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.3 | -42 | 178.7 | -173.8 | -127.8 | 98.3 | 0 | 0 | 111.3 | Q49 L50 Q55 E56 L57 | Q49-Q53 PolarHBondContact O-N 3.23Å; L50-Q53 PolarHBondContact O-N 3.42Å; Q53-Q55 VanDerWaalsContact C-N 3.34Å; Q53-Q55 PolarHBondContact O-N 3.2Å; Q53-E56 PolarHBondContact O-N 3.04Å; Q53-L57 WeakPolarHBondContact O-CG 3.42Å; Q53-L57 PolarHBondContact O-N 2.89Å |
| 54 | Q | 98.2 | Very high | 98.2 | Very high | 136 Ų | 136 | 119.7 Ų | 119.7 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64 | -40.3 | 176.9 | -173.8 | 170 | 93.3 | 0 | 0 | 112.1 | L50 Q51 Q52 L57 Q58 | L50-Q54 WeakPolarHBondContact O-CB 3.46Å; L50-Q54 PolarHBondContact O-N 3.01Å; Q51-Q54 PolarHBondContact O-N 2.82Å; Q52-Q54 VanDerWaalsContact C-N 3.28Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q54-L57 PolarHBondContact O-N 3.1Å; Q54-Q58 WeakPolarHBondContact O-CB 3.49Å; Q54-Q58 PolarHBondContact O-N 3.48Å |
| 55 | Q | 98.4 | Very high | 98.2 | Very high | 114 Ų | 114 | 117.5 Ų | 117.5 | 53% | 0.533 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -40.7 | 175.1 | -170.1 | -179.9 | 36.4 | 0 | 0 | 111.7 | Q51 Q52 Q53 Q58 Q59 | Q51-Q55 PolarHBondContact O-N 3.16Å; Q52-Q55 WeakPolarHBondContact O-CB 3.33Å; Q52-Q55 PolarHBondContact O-N 3.37Å; Q52-Q55 VanDerWaalsContact O-N 3.13Å; Q53-Q55 VanDerWaalsContact C-N 3.34Å; Q53-Q55 PolarHBondContact O-N 3.2Å; Q55-Q58 WeakPolarHBondContact O-CB 3.33Å; Q55-Q58 PolarHBondContact O-N 2.84Å; Q55-Q59 PolarHBondContact O-N 3.17Å |
| 56 | E | 98.4 | Very high | 98.1 | Very high | 99 Ų | 99 | 120.6 Ų | 120.6 | 46% | 0.463 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.5 | -45.9 | 175.7 | -171 | -171.1 | 118.1 | 0 | 0 | 111 | Q52 Q53 Q58 Q59 R60 | Q52-E56 PolarHBondContact O-N 2.95Å; Q53-E56 PolarHBondContact O-N 3.04Å; E56-Q58 VanDerWaalsContact C-N 3.28Å; E56-Q58 PolarHBondContact O-N 3.42Å; E56-Q59 PolarHBondContact O-N 2.84Å; E56-R60 HydrophobicContact CG-CG 4.45Å; E56-R60 WeakPolarHBondContact O-CB 3.48Å; E56-R60 WeakPolarHBondContact O-CG 3.5Å; E56-R60 PolarHBondContact O-N 2.83Å; E56-R60 IonicContact OE1-NE 3.08Å; E56-R60 PolarHBondContact OE1-NE 2.88Å; E56-R60 VanDerWaalsContact OE1-NE 3.08Å |
| 57 | L | 98.4 | Very high | 98 | Very high | 98 Ų | 98 | 120.8 Ų | 120.8 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.8 | -40.7 | 176.5 | -72.9 | 178.4 | 0 | 0 | 0 | 111.7 | Q53 Q54 R60 Q61 | Q53-L57 WeakPolarHBondContact O-CG 3.42Å; Q53-L57 PolarHBondContact O-N 2.89Å; Q54-L57 PolarHBondContact O-N 3.1Å; L57-R60 PolarHBondContact O-N 3.29Å; L57-Q61 WeakPolarHBondContact O-CB 3.22Å; L57-Q61 PolarHBondContact O-N 2.82Å |
| 58 | Q | 98.5 | Very high | 97.7 | Very high | 118 Ų | 118 | 119.6 Ų | 119.6 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.3 | -48.4 | 175.2 | -175.5 | -174.1 | 72.8 | 0 | 0 | 111.6 | Q54 Q55 E56 R60 Q61 Q62 | Q54-Q58 WeakPolarHBondContact O-CB 3.49Å; Q54-Q58 PolarHBondContact O-N 3.48Å; Q55-Q58 WeakPolarHBondContact O-CB 3.33Å; Q55-Q58 PolarHBondContact O-N 2.84Å; E56-Q58 VanDerWaalsContact C-N 3.28Å; E56-Q58 PolarHBondContact O-N 3.42Å; Q58-R60 PolarHBondContact O-N 2.92Å; Q58-Q61 WeakPolarHBondContact O-CB 3.46Å; Q58-Q61 PolarHBondContact O-N 3.47Å; Q58-Q62 PolarHBondContact O-N 3.17Å |
| 59 | Q | 97.8 | Very high | 97.5 | Very high | 107 Ų | 107 | 120.8 Ų | 120.8 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.8 | -46.8 | 176.2 | -88.3 | -169.1 | 53.6 | 0 | 0 | 111.8 | Q55 E56 Q61 Q62 I63 | Q55-Q59 PolarHBondContact O-N 3.17Å; E56-Q59 PolarHBondContact O-N 2.84Å; Q59-Q61 VanDerWaalsContact C-N 3.25Å; Q59-Q61 PolarHBondContact O-N 2.85Å; Q59-Q62 WeakPolarHBondContact O-CB 3.26Å; Q59-Q62 PolarHBondContact O-N 3.21Å; Q59-Q62 VanDerWaalsContact O-N 3.11Å; Q59-I63 WeakPolarHBondContact O-CG1 3.25Å; Q59-I63 PolarHBondContact O-N 2.93Å |
| 60 | R | 98 | Very high | 97.1 | Very high | 159 Ų | 159 | 118.4 Ų | 118.4 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.8 | -39.9 | 177.3 | -81.8 | 174.4 | 161.2 | -90.1 | -2.5 | 111.8 | E56 L57 Q58 I63 M64 | E56-R60 HydrophobicContact CG-CG 4.45Å; E56-R60 WeakPolarHBondContact O-CB 3.48Å; E56-R60 WeakPolarHBondContact O-CG 3.5Å; E56-R60 PolarHBondContact O-N 2.83Å; E56-R60 IonicContact OE1-NE 3.08Å; E56-R60 PolarHBondContact OE1-NE 2.88Å; E56-R60 VanDerWaalsContact OE1-NE 3.08Å; L57-R60 PolarHBondContact O-N 3.29Å; Q58-R60 PolarHBondContact O-N 2.92Å; R60-I63 PolarHBondContact O-N 2.87Å; R60-M64 VanDerWaalsContact O-CB 3.28Å; R60-M64 WeakPolarHBondContact O-CB 3.49Å; R60-M64 PolarHBondContact O-N 2.87Å |
| 61 | Q | 98.1 | Very high | 96.6 | Very high | 127 Ų | 127 | 118 Ų | 118 | 59% | 0.593 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 176 | -173.6 | -178.5 | 88.3 | 0 | 0 | 111.4 | L57 Q58 Q59 M64 Q65 | L57-Q61 WeakPolarHBondContact O-CB 3.22Å; L57-Q61 PolarHBondContact O-N 2.82Å; Q58-Q61 WeakPolarHBondContact O-CB 3.46Å; Q58-Q61 PolarHBondContact O-N 3.47Å; Q59-Q61 VanDerWaalsContact C-N 3.25Å; Q59-Q61 PolarHBondContact O-N 2.85Å; Q61-M64 PolarHBondContact O-N 3.34Å; Q61-Q65 PolarHBondContact O-N 3.49Å |
| 62 | Q | 97.9 | Very high | 95.9 | Very high | 129 Ų | 129 | 117.4 Ų | 117.4 | 60% | 0.603 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 175.5 | -72.9 | -171.5 | -14.4 | 0 | 0 | 112 | Q58 Q59 M64 Q65 W66 | Q58-Q62 PolarHBondContact O-N 3.17Å; Q59-Q62 WeakPolarHBondContact O-CB 3.26Å; Q59-Q62 PolarHBondContact O-N 3.21Å; Q59-Q62 VanDerWaalsContact O-N 3.11Å; Q62-M64 VanDerWaalsContact C-N 3.32Å; Q62-M64 PolarHBondContact O-N 2.86Å; Q62-Q65 WeakPolarHBondContact O-CB 3.33Å; Q62-Q65 PolarHBondContact O-N 3.31Å; Q62-W66 WeakPolarHBondContact O-CB 3.28Å; Q62-W66 PolarHBondContact O-N 3.11Å |
| 63 | I | 97.8 | Very high | 94.7 | Very high | 97 Ų | 97 | 114.5 Ų | 114.5 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 177.7 | -67.6 | 164.9 | 0 | 0 | 0 | 110.6 | Q59 R60 W66 Q67 | Q59-I63 WeakPolarHBondContact O-CG1 3.25Å; Q59-I63 PolarHBondContact O-N 2.93Å; R60-I63 PolarHBondContact O-N 2.87Å; I63-W66 PolarHBondContact O-N 3.24Å; I63-Q67 WeakPolarHBondContact O-CB 3.38Å; I63-Q67 PolarHBondContact O-N 3.44Å |
| 64 | M | 97.4 | Very high | 93.5 | Very high | 127 Ų | 127 | 113.5 Ų | 113.5 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 176.3 | -177.9 | -134.8 | -66.5 | 0 | 0 | 111.3 | R60 Q61 Q62 Q67 Q68 | R60-M64 VanDerWaalsContact O-CB 3.28Å; R60-M64 WeakPolarHBondContact O-CB 3.49Å; R60-M64 PolarHBondContact O-N 2.87Å; Q61-M64 PolarHBondContact O-N 3.34Å; Q62-M64 VanDerWaalsContact C-N 3.32Å; Q62-M64 PolarHBondContact O-N 2.86Å; M64-Q67 PolarHBondContact O-N 2.89Å; M64-Q68 PolarHBondContact O-N 3.13Å; M64-Q68 VanDerWaalsContact O-N 3.08Å |
| 65 | Q | 97.3 | Very high | 91.7 | Very high | 119 Ų | 119 | 113.9 Ų | 113.9 | 56% | 0.556 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.5 | -47.5 | 177.2 | -168.5 | 96.7 | 83 | 0 | 0 | 111 | Q61 Q62 Q67 Q68 E69 | Q61-Q65 PolarHBondContact O-N 3.49Å; Q62-Q65 WeakPolarHBondContact O-CB 3.33Å; Q62-Q65 PolarHBondContact O-N 3.31Å; Q65-Q67 VanDerWaalsContact C-N 3.35Å; Q65-Q67 PolarHBondContact O-N 3.08Å; Q65-Q68 WeakPolarHBondContact O-CB 3.48Å; Q65-Q68 PolarHBondContact O-N 3.36Å; Q65-Q68 VanDerWaalsContact O-N 3.13Å; Q65-E69 PolarHBondContact O-N 3.45Å |
| 66 | W | 96.3 | Very high | 89.7 | Confident | 163 Ų | 163 | 113 Ų | 113 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 178.6 | 179.2 | 78.6 | 0 | 0 | 0 | 112.3 | Q62 I63 Q68 E69 L70 | Q62-W66 WeakPolarHBondContact O-CB 3.28Å; Q62-W66 PolarHBondContact O-N 3.11Å; I63-W66 PolarHBondContact O-N 3.24Å; W66-Q68 VanDerWaalsContact C-N 3.28Å; W66-Q68 PolarHBondContact O-N 3.37Å; W66-E69 PolarHBondContact O-N 3.46Å; W66-L70 HydrophobicContact CD2-CD1 3.84Å; W66-L70 HydrophobicContact CE3-CD1 3.73Å; W66-L70 HydrophobicContact CH2-CD1 3.12Å; W66-L70 HydrophobicContact CZ2-CD1 3.21Å; W66-L70 HydrophobicContact CZ2-CG 4.41Å; W66-L70 HydrophobicContact CZ3-CD1 3.38Å; W66-L70 PolarHBondContact O-N 3.24Å |
| 67 | Q | 95.3 | Very high | 87.5 | Confident | 113 Ų | 113 | 115 Ų | 115 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.8 | -37 | 175 | -175.7 | 175.2 | 76.5 | 0 | 0 | 111.8 | I63 M64 Q65 L70 Q71 | I63-Q67 WeakPolarHBondContact O-CB 3.38Å; I63-Q67 PolarHBondContact O-N 3.44Å; M64-Q67 PolarHBondContact O-N 2.89Å; Q65-Q67 VanDerWaalsContact C-N 3.35Å; Q65-Q67 PolarHBondContact O-N 3.08Å; Q67-L70 WeakPolarHBondContact O-CB 3.38Å; Q67-L70 PolarHBondContact O-N 3.34Å; Q67-Q71 WeakPolarHBondContact O-CG 3.31Å; Q67-Q71 PolarHBondContact O-N 3.08Å |
| 68 | Q | 93.3 | Very high | 85.1 | Confident | 100 Ų | 100 | 113.5 Ų | 113.5 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.4 | -174.1 | 178.8 | 51.9 | 0 | 0 | 111.8 | M64 Q65 W66 L70 Q71 Q72 | M64-Q68 PolarHBondContact O-N 3.13Å; M64-Q68 VanDerWaalsContact O-N 3.08Å; Q65-Q68 WeakPolarHBondContact O-CB 3.48Å; Q65-Q68 PolarHBondContact O-N 3.36Å; Q65-Q68 VanDerWaalsContact O-N 3.13Å; W66-Q68 VanDerWaalsContact C-N 3.28Å; W66-Q68 PolarHBondContact O-N 3.37Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 2.75Å; Q68-Q71 PolarHBondContact O-N 3.46Å; Q68-Q72 WeakPolarHBondContact O-CG 3.41Å; Q68-Q72 PolarHBondContact O-N 2.86Å |
| 69 | E | 93.1 | Very high | 82.5 | Confident | 127 Ų | 127 | 112.1 Ų | 112.1 | 59% | 0.593 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.5 | -43.3 | 175.7 | -173.7 | 177.2 | 170.7 | 0 | 0 | 111.3 | Q65 W66 Q71 Q72 S73 | Q65-E69 PolarHBondContact O-N 3.45Å; W66-E69 PolarHBondContact O-N 3.46Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.18Å; E69-Q72 PolarHBondContact O-N 3.06Å; E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 2.95Å |
| 70 | L | 91.2 | Very high | 80.1 | Confident | 82 Ų | 82 | 114.6 Ų | 114.6 | 43% | 0.429 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.1 | -44.1 | 173.1 | -112.8 | 156.2 | 0 | 0 | 0 | 112.4 | W66 Q67 Q68 N74 | W66-L70 HydrophobicContact CD2-CD1 3.84Å; W66-L70 HydrophobicContact CE3-CD1 3.73Å; W66-L70 HydrophobicContact CH2-CD1 3.12Å; W66-L70 HydrophobicContact CZ2-CD1 3.21Å; W66-L70 HydrophobicContact CZ2-CG 4.41Å; W66-L70 HydrophobicContact CZ3-CD1 3.38Å; W66-L70 PolarHBondContact O-N 3.24Å; Q67-L70 WeakPolarHBondContact O-CB 3.38Å; Q67-L70 PolarHBondContact O-N 3.34Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 2.75Å; L70-N74 WeakPolarHBondContact O-CB 3.44Å; L70-N74 PolarHBondContact O-N 3.13Å |
| 71 | Q | 87.6 | Confident | 77.9 | Confident | 99 Ų | 99 | 113.8 Ų | 113.8 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68 | -34.9 | 176.3 | -74 | -179.2 | 12.6 | 0 | 0 | 112.8 | Q67 Q68 E69 K75 | Q67-Q71 WeakPolarHBondContact O-CG 3.31Å; Q67-Q71 PolarHBondContact O-N 3.08Å; Q68-Q71 PolarHBondContact O-N 3.46Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.18Å; Q71-K75 VanDerWaalsContact O-CB 3.25Å; Q71-K75 WeakPolarHBondContact O-CB 3.5Å; Q71-K75 WeakPolarHBondContact O-CD 3.39Å; Q71-K75 VanDerWaalsContact O-CG 3.26Å; Q71-K75 WeakPolarHBondContact O-CG 3.5Å; Q71-K75 PolarHBondContact O-N 3.46Å |
| 72 | Q | 83.2 | Confident | 75 | Confident | 120 Ų | 120 | 112.7 Ų | 112.7 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.1 | -43.5 | 176 | -72.9 | -180 | 9.9 | 0 | 0 | 111.4 | Q68 E69 N74 K75 S76 | Q68-Q72 WeakPolarHBondContact O-CG 3.41Å; Q68-Q72 PolarHBondContact O-N 2.86Å; E69-Q72 PolarHBondContact O-N 3.06Å; Q72-N74 VanDerWaalsContact C-N 3.35Å; Q72-K75 PolarHBondContact O-N 3.31Å; Q72-S76 PolarHBondContact O-OG 3.43Å |
| 73 | S | 74.7 | Confident | 73.1 | Confident | 68 Ų | 68 | 112.8 Ų | 112.8 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.4 | -37.6 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 112 | E69 S76 | E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 2.95Å; S73-S76 PolarHBondContact O-OG 3.38Å |
| 74 | N | 73.6 | Confident | 70.6 | Confident | 82 Ų | 82 | 113.6 Ų | 113.6 | 44% | 0.439 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.1 | -41 | 175.5 | -162.5 | -94.5 | 0 | 0 | 0 | 111.5 | L70 Q72 S76 Q77 T78 | L70-N74 WeakPolarHBondContact O-CB 3.44Å; L70-N74 PolarHBondContact O-N 3.13Å; Q72-N74 VanDerWaalsContact C-N 3.35Å; N74-S76 PolarHBondContact O-N 2.88Å; N74-S76 VanDerWaalsContact O-N 3.1Å; N74-Q77 CarbonylContact O-C 3.43Å; N74-Q77 WeakPolarHBondContact O-CA 3.39Å; N74-Q77 PolarHBondContact O-N 3.35Å; N74-T78 VanDerWaalsContact C-OG1 3.23Å; N74-T78 PolarHBondContact O-N 2.94Å; N74-T78 PolarHBondContact O-OG1 3.31Å; N74-T78 PolarHBondContact OD1-OG1 2.92Å |
| 75 | K | 59.9 | Low | 69.1 | Low | 143 Ų | 143 | 113.1 Ų | 113.1 | 62% | 0.622 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.5 | -25.9 | -179.5 | -90.2 | 164.6 | 174.7 | 155 | 0 | 114.7 | Q71 Q72 | Q71-K75 VanDerWaalsContact O-CB 3.25Å; Q71-K75 WeakPolarHBondContact O-CB 3.5Å; Q71-K75 WeakPolarHBondContact O-CD 3.39Å; Q71-K75 VanDerWaalsContact O-CG 3.26Å; Q71-K75 WeakPolarHBondContact O-CG 3.5Å; Q71-K75 PolarHBondContact O-N 3.46Å; Q72-K75 PolarHBondContact O-N 3.31Å |
| 76 | S | 56.4 | Low | 67 | Low | 96 Ų | 96 | 110.4 Ų | 110.4 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -14.1 | 171.6 | 41.1 | 0 | 0 | 0 | 0 | 113.8 | Q72 S73 N74 | Q72-S76 PolarHBondContact O-OG 3.43Å; S73-S76 PolarHBondContact O-OG 3.38Å; N74-S76 PolarHBondContact O-N 2.88Å; N74-S76 VanDerWaalsContact O-N 3.1Å |
| 77 | Q | 52.8 | Low | 65.2 | Low | 141 Ų | 141 | 110.7 Ų | 110.7 | 66% | 0.659 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -24.9 | 173.9 | -62.3 | -172.4 | 19 | 0 | 0 | 113.8 | N74 A79 | N74-Q77 CarbonylContact O-C 3.43Å; N74-Q77 WeakPolarHBondContact O-CA 3.39Å; N74-Q77 PolarHBondContact O-N 3.35Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 3.29Å |
| 78 | T | 46.2 | Very low | 62.8 | Low | 67 Ų | 67 | 110.7 Ų | 110.7 | 41% | 0.411 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -74.9 | -10 | -176.6 | -18 | 0 | 0 | 0 | 0 | 114.3 | N74 L80 L81 | N74-T78 VanDerWaalsContact C-OG1 3.23Å; N74-T78 PolarHBondContact O-N 2.94Å; N74-T78 PolarHBondContact O-OG1 3.31Å; N74-T78 PolarHBondContact OD1-OG1 2.92Å; T78-L80 PolarHBondContact O-N 3Å; T78-L80 VanDerWaalsContact O-N 3.16Å; T78-L81 PolarHBondContact O-N 3.13Å |
| 79 | A | 45.1 | Very low | 61 | Low | 89 Ų | 89 | 112.3 Ų | 112.3 | 74% | 0.736 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -67.8 | -10.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q77 | Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 3.29Å |
| 80 | L | 47.1 | Very low | 59.8 | Low | 159 Ų | 159 | 112.5 Ų | 112.5 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -107.8 | -8.4 | 179.8 | -66.8 | -179.3 | 0 | 0 | 0 | 115.2 | T78 | T78-L80 PolarHBondContact O-N 3Å; T78-L80 VanDerWaalsContact O-N 3.16Å |
| 81 | L | 50.8 | Low | 57.7 | Low | 142 Ų | 142 | 118.4 Ų | 118.4 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | trans | -121.8 | 74.6 | -179.7 | -61 | 176 | 0 | 0 | 0 | 109.5 | T78 | T78-L81 PolarHBondContact O-N 3.13Š| ||
| 82 | S | 39 | Very low | 56.6 | Low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -55.4 | 136.3 | 167.7 | -82.4 | 0 | 0 | 0 | 0 | 110 | S84 | S82-S84 VanDerWaalsContact C-N 3.25Å; S82-S84 PolarHBondContact O-N 2.88Å | ||
| 83 | P | 56.6 | Low | 55.6 | Low | 131 Ų | 131 | 121.8 Ų | 121.8 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | trans | -73.6 | 83.7 | 174.9 | 30.4 | -31 | 0 | 0 | 0 | 108.4 | S85 | P83-S85 VanDerWaalsContact C-N 3.32Å; P83-S85 PolarHBondContact O-N 2.95Å | ||
| 84 | S | 46 | Very low | 54.6 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -69.9 | 96.3 | 171.2 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | S82 G86 | S82-S84 VanDerWaalsContact C-N 3.25Å; S82-S84 PolarHBondContact O-N 2.88Å; S84-G86 PolarHBondContact O-N 3.44Å | ||
| 85 | S | 65.5 | Low | 53.6 | Low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -38.9 | 125.6 | 155.2 | 166.6 | 0 | 0 | 0 | 0 | 111.7 | P83 | P83-S85 VanDerWaalsContact C-N 3.32Å; P83-S85 PolarHBondContact O-N 2.95Å | ||
| 86 | G | 53.5 | Low | 52.9 | Low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | trans | 137.8 | 93 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116 | S84 | S84-G86 PolarHBondContact O-N 3.44Š| ||
| 87 | L | 59.3 | Low | 52.5 | Low | 170 Ų | 170 | 132.2 Ų | 132.2 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | 49.4 | 112.4 | 140.2 | -52 | 174.8 | 0 | 0 | 0 | 118.9 | ||||
| 88 | C | 43.2 | Very low | 52.5 | Low | 113 Ų | 113 | 134.6 Ų | 134.6 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -120.2 | 91.5 | 155.7 | -164.2 | 0 | 0 | 0 | 0 | 108.9 | I90 | C88-I90 HydrophobicContact CB-CG2 4.37Å; C88-I90 PolarHBondContact O-N 3.4Å; C88-I90 WeakPolarHBondContact SG-CG2 3.44Å | ||
| 89 | T | 56.9 | Low | 52.1 | Low | 133 Ų | 133 | 138.9 Ų | 138.9 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -74.8 | 110.2 | 170.8 | -28.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 90 | I | 68.3 | Low | 52.1 | Low | 131 Ų | 131 | 143.6 Ų | 143.6 | 67% | 0.672 | 82% | 0.817 | S | S | * | * | trans | -107.8 | 13.3 | -172.6 | 58.3 | 166.4 | 0 | 0 | 0 | 114.4 | C88 | C88-I90 HydrophobicContact CB-CG2 4.37Å; C88-I90 PolarHBondContact O-N 3.4Å; C88-I90 WeakPolarHBondContact SG-CG2 3.44Å | ||
| 91 | Y | 45.3 | Very low | 51.7 | Low | 206 Ų | 206 | 144.4 Ų | 144.4 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | trans | -124.5 | 82.3 | -179.1 | -93.7 | -87.6 | 0 | 0 | 0 | 111.5 | ||||
| 92 | E | 65.5 | Low | 50.9 | Low | 195 Ų | 195 | 144 Ų | 144 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -144.9 | 142.8 | 144.7 | -67.5 | -159.6 | 118 | 0 | 0 | 108.6 | ||||
| 93 | A | 61.4 | Low | 51.2 | Low | 95 Ų | 95 | 144.4 Ų | 144.4 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | 86 | 90.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 94 | L | 53.7 | Low | 50.1 | Low | 180 Ų | 180 | 146.9 Ų | 146.9 | 94% | 0.942 | 82% | 0.82 | S | S | * | * | -160.2 | 74.9 | 125.9 | -82.1 | -169.3 | 0 | 0 | 0 | 108.6 | |||||
| 95 | E | 54.2 | Low | 49.6 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -123.8 | 84.6 | 160 | -160.3 | 174.8 | -135.2 | 0 | 0 | 106.5 | ||||
| 96 | S | 45 | Very low | 47.9 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -177.9 | 102.7 | 163.3 | -84.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 97 | S | 48 | Very low | 47.4 | Very low | 120 Ų | 120 | 155.1 Ų | 155.1 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | 166.3 | 89.3 | 120.6 | 42 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 98 | E | 52.5 | Low | 46.2 | Very low | 191 Ų | 191 | 154.7 Ų | 154.7 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -72 | 122.1 | 149.3 | 53.1 | -177.4 | 101.3 | 0 | 0 | 107.5 | ||||
| 99 | D | 37.8 | Very low | 45.7 | Very low | 157 Ų | 157 | 154 Ų | 154 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -166.8 | 102.9 | 161.9 | -131.1 | -75.7 | 0 | 0 | 0 | 109.1 | ||||
| 100 | E | 45 | Very low | 44.7 | Very low | 189 Ų | 189 | 154.1 Ų | 154.1 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -132.9 | 108.4 | 167.3 | -97.3 | -104.4 | 113.9 | 0 | 0 | 106.3 | ||||
| 101 | E | 39.1 | Very low | 43.7 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | 169 | 113.5 | 142.8 | -105.7 | -175.8 | 71.9 | 0 | 0 | 111.7 | ||||
| 102 | T | 32.3 | Very low | 43 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 82% | 0.816 | 83% | 0.825 | S | S | * | * | 169.4 | 152.1 | 111.8 | 35 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 103 | P | 47 | Very low | 41.7 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -100.8 | 165.6 | -156 | 39.7 | -32.6 | 0 | 0 | 0 | 112.6 | ||||
| 104 | E | 33.7 | Very low | 40.6 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | 179.3 | 117.1 | 144 | -79.4 | -140.2 | 101.9 | 0 | 0 | 110.5 | ||||
| 105 | Q | 33.8 | Very low | 39.4 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -168.6 | 114.5 | 137.8 | -106.9 | 171.5 | 16.4 | 0 | 0 | 112 | ||||
| 106 | N | 31.5 | Very low | 39 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -63.3 | 143.5 | 173.8 | -100.1 | -61.7 | 0 | 0 | 0 | 113.4 | ||||
| 107 | P | 43 | Very low | 38.4 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -123.1 | 117.6 | 151.3 | 34 | -18.8 | 0 | 0 | 0 | 110.7 | ||||
| 108 | D | 33.4 | Very low | 38.5 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -163.9 | 124.3 | 156.1 | -152 | -101.7 | 0 | 0 | 0 | 112.3 | ||||
| 109 | A | 32.2 | Very low | 37.6 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 173.3 | 100.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 110 | D | 35.8 | Very low | 37.4 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -97.3 | 151.4 | 150.6 | -176.2 | 45.4 | 0 | 0 | 0 | 107.2 | ||||
| 111 | P | 47.3 | Very low | 37.1 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | -150.8 | 147.8 | 92.1 | 32.9 | -11.7 | 0 | 0 | 0 | 115.8 | |||||
| 112 | T | 31 | Very low | 36.7 | Very low | 115 Ų | 115 | 140 Ų | 140 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | 163.6 | 96.6 | 115.4 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 113 | Q | 37.3 | Very low | 36.6 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 26.8 | 165.5 | 133.1 | -64.2 | -165.4 | -90.2 | 0 | 0 | 123.8 | ||||
| 114 | P | 39.2 | Very low | 36.4 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | cis | -133.5 | 168.4 | -25.5 | 32 | -11.3 | 0 | 0 | 0 | 114.9 | ||||
| 115 | G | 28.9 | Very low | 36.5 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -86.1 | -160.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 116 | P | 44.3 | Very low | 36.4 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | -133.3 | 168.7 | -1.1 | 40.4 | -22.4 | 0 | 0 | 0 | 115.1 | ||||
| 117 | D | 34.4 | Very low | 36.5 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 166.8 | 148 | 125.8 | -96.8 | -58.8 | 0 | 0 | 0 | 112.5 | |||||
| 118 | P | 48.5 | Very low | 36.7 | Very low | 91 Ų | 91 | 132 Ų | 132 | 59% | 0.591 | 78% | 0.778 | S | S | * | * | trans | -97.2 | 174.9 | -173.3 | 37.4 | -28.3 | 0 | 0 | 0 | 112.1 | ||||
| 119 | H | 34.1 | Very low | 37 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 133.6 | 135.5 | 154.2 | -71.8 | -77.5 | 0 | 0 | 0 | 113.4 | ||||
| 120 | E | 33.4 | Very low | 37.3 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | 80.8 | 94.4 | 161.3 | -39.6 | -158.9 | 98.9 | 0 | 0 | 117.6 | ||||
| 121 | Q | 38.3 | Very low | 37.6 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | -161.4 | 104.2 | 112.6 | -141.6 | 91.4 | 56.7 | 0 | 0 | 110.1 | |||||
| 122 | M | 31.3 | Very low | 37.1 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 127.3 | 165.9 | -173.7 | 84.3 | 82.5 | 0 | 0 | 110.1 | P124 | M122-P124 WeakPolarHBondContact O-CD 3.38Š|
| 123 | C | 31 | Very low | 37.8 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 124.4 | 164.3 | -63.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 124 | P | 41.4 | Very low | 37.8 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 121.6 | 163.9 | 29.8 | -14.9 | 0 | 0 | 0 | 111.3 | M122 | M122-P124 WeakPolarHBondContact O-CD 3.38Š|
| 125 | S | 36.6 | Very low | 38.2 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 62.9 | 111.2 | 134.4 | -54.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 126 | C | 31.5 | Very low | 39 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | 171.2 | 143 | 125.9 | 56.7 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 127 | D | 33.2 | Very low | 39.3 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -157.4 | 152.8 | 0.2 | -143.6 | -64.5 | 0 | 0 | 0 | 105.5 | D129 | D127-D129 PolarHBondContact O-N 3.29Š| ||
| 128 | S | 48.7 | Very low | 40.3 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -78.2 | 100.4 | 177.3 | -67.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 129 | D | 37.9 | Very low | 40.7 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -158.3 | 97.7 | 153.2 | -98.3 | -51 | 0 | 0 | 0 | 109.4 | D127 P131 | D127-D129 PolarHBondContact O-N 3.29Å; D129-P131 WeakPolarHBondContact O-CD 3.45Å | ||
| 130 | R | 39.6 | Very low | 42.1 | Very low | 223 Ų | 223 | 138.6 Ų | 138.6 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -85.7 | 106.9 | 167.3 | 178.8 | -179.3 | -177.1 | -140.4 | 1.9 | 106.8 | S132 | R130-S132 PolarHBondContact O-N 3.48Š| ||
| 131 | P | 41.1 | Very low | 43.9 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | trans | -69.7 | 121 | 159.6 | 28.5 | -28.8 | 0 | 0 | 0 | 106.8 | D129 | D129-P131 WeakPolarHBondContact O-CD 3.45Š| ||
| 132 | S | 38.4 | Very low | 45.9 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | trans | -43.9 | 149.8 | 155.9 | -81.4 | 0 | 0 | 0 | 0 | 109.4 | R130 E134 | R130-S132 PolarHBondContact O-N 3.48Å; S132-E134 VanDerWaalsContact C-N 3.31Å; S132-E134 PolarHBondContact O-N 2.96Å | ||
| 133 | P | 44.8 | Very low | 48.4 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | -57.5 | 102.7 | 171.9 | 24.9 | -31.1 | 0 | 0 | 0 | 107.5 | Q135 | P133-Q135 PolarHBondContact O-N 3.25Š| ||
| 134 | E | 37.8 | Very low | 51 | Low | 172 Ų | 172 | 125 Ų | 125 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -58.8 | 107.4 | 176.4 | -164.4 | 168 | 97.7 | 0 | 0 | 105 | S132 P136 | S132-E134 VanDerWaalsContact C-N 3.31Å; S132-E134 PolarHBondContact O-N 2.96Å; E134-P136 WeakPolarHBondContact O-CD 3.36Å; E134-P136 VanDerWaalsContact O-N 3.14Å | ||
| 135 | Q | 47.1 | Very low | 53.2 | Low | 176 Ų | 176 | 125.6 Ų | 125.6 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 123.4 | 167.1 | -85.2 | -173.7 | -45.6 | 0 | 0 | 105.6 | P133 | P133-Q135 PolarHBondContact O-N 3.25Š|
| 136 | P | 45.8 | Very low | 55.6 | Low | 98 Ų | 98 | 124.4 Ų | 124.4 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -55 | 139.7 | 176.6 | 22.6 | -31.1 | 0 | 0 | 0 | 107.5 | E134 | E134-P136 WeakPolarHBondContact O-CD 3.36Å; E134-P136 VanDerWaalsContact O-N 3.14Å |
| 137 | P | 51 | Low | 58.5 | Low | 96 Ų | 96 | 122.9 Ų | 122.9 | 62% | 0.623 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 142.5 | 178.2 | 21.3 | -32.2 | 0 | 0 | 0 | 108.2 | L139 | P137-L139 VanDerWaalsContact C-N 3.31Å; P137-L139 PolarHBondContact O-N 3.38Å |
| 138 | P | 54.4 | Low | 61.3 | Low | 127 Ų | 127 | 120.8 Ų | 120.8 | 83% | 0.825 | 65% | 0.649 | S | S | * | * | trans | -55.9 | 106.5 | 178.2 | 23.7 | -30.5 | 0 | 0 | 0 | 105.2 | D140 | P138-D140 VanDerWaalsContact C-N 3.26Å; P138-D140 PolarHBondContact O-N 2.93Å | ||
| 139 | L | 57.8 | Low | 63.4 | Low | 132 Ų | 132 | 120 Ų | 120 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | trans | -62.1 | 107.6 | 175.7 | -77 | 93.1 | 0 | 0 | 0 | 103.1 | P137 L141 | P137-L139 VanDerWaalsContact C-N 3.31Å; P137-L139 PolarHBondContact O-N 3.38Å; L139-L141 HydrophobicContact CB-CD1 3.23Å; L139-L141 HydrophobicContact CD2-CD1 3.87Å; L139-L141 HydrophobicContact CG-CD1 4.19Å; L139-L141 PolarHBondContact O-N 2.89Å | ||
| 140 | D | 64.3 | Low | 66 | Low | 155 Ų | 155 | 116 Ų | 116 | 83% | 0.829 | 62% | 0.617 | S | S | * | * | trans | -70.2 | 74.9 | 171.9 | -149.4 | -38.8 | 0 | 0 | 0 | 105.3 | P138 D142 | P138-D140 VanDerWaalsContact C-N 3.26Å; P138-D140 PolarHBondContact O-N 2.93Å; D140-D142 PolarHBondContact O-N 2.97Å | ||
| 141 | L | 69.7 | Low | 68.5 | Low | 63 Ų | 63 | 109.7 Ų | 109.7 | 33% | 0.33 | 60% | 0.596 | S | S | . | * | trans | -65.8 | 99.4 | 168.5 | -94.8 | 65.6 | 0 | 0 | 0 | 103.7 | L139 W143 K146 I149 | L139-L141 HydrophobicContact CB-CD1 3.23Å; L139-L141 HydrophobicContact CD2-CD1 3.87Å; L139-L141 HydrophobicContact CG-CD1 4.19Å; L139-L141 PolarHBondContact O-N 2.89Å; L141-W143 PolarHBondContact O-N 3.14Å; L141-K146 HydrophobicContact CB-CB 4.46Å; L141-I149 HydrophobicContact CD2-CD1 3.41Å; L141-I149 VanDerWaalsContact CD2-CD1 3.41Å; L141-I149 HydrophobicContact CG-CD1 4.32Å | ||
| 142 | D | 81.2 | Confident | 71 | Confident | 91 Ų | 91 | 111 Ų | 111 | 49% | 0.487 | 59% | 0.593 | S | S | . | * | trans | -34.1 | 130.6 | 160.9 | 166.8 | -110.5 | 0 | 0 | 0 | 109.2 | D140 G144 K145 K146 | D140-D142 PolarHBondContact O-N 2.97Å; D142-G144 CarbonylContact O-C 3.58Å; D142-G144 PolarHBondContact O-N 2.93Å; D142-G144 WeakPolarHBondContact OD1-CA 3.36Å; D142-G144 PolarHBondContact OD1-N 2.95Å; D142-G144 VanDerWaalsContact OD1-N 3.14Å; D142-K145 HydrophobicContact CB-CD 4.21Å; D142-K145 HydrophobicContact CB-CG 4.24Å; D142-K145 WeakPolarHBondContact O-CA 3.5Å; D142-K145 WeakPolarHBondContact O-CB 3.45Å; D142-K145 PolarHBondContact O-N 3.17Å; D142-K145 PolarHBondContact OD1-N 3.42Å; D142-K146 PolarHBondContact O-N 2.97Å | ||
| 143 | W | 84.3 | Confident | 73.6 | Confident | 183 Ų | 183 | 111.7 Ų | 111.7 | 69% | 0.693 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -55.7 | -28.5 | -174.2 | -80.3 | 96.6 | 0 | 0 | 0 | 112 | L141 K146 V147 | L141-W143 PolarHBondContact O-N 3.14Å; W143-K146 HydrophobicContact CE3-CD 3.97Å; W143-K146 HydrophobicContact CZ3-CD 3.93Å; W143-K146 PolarHBondContact O-N 2.86Å; W143-V147 WeakPolarHBondContact O-CB 3.38Å; W143-V147 VanDerWaalsContact O-CG2 3.24Å; W143-V147 WeakPolarHBondContact O-CG2 3.41Å; W143-V147 PolarHBondContact O-N 3.04Å |
| 144 | G | 85.8 | Confident | 75.7 | Confident | 32 Ų | 32 | 109.5 Ų | 109.5 | 33% | 0.33 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.4 | -55.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D142 K146 V147 D148 | D142-G144 CarbonylContact O-C 3.58Å; D142-G144 PolarHBondContact O-N 2.93Å; D142-G144 WeakPolarHBondContact OD1-CA 3.36Å; D142-G144 PolarHBondContact OD1-N 2.95Å; D142-G144 VanDerWaalsContact OD1-N 3.14Å; G144-K146 VanDerWaalsContact C-N 3.3Å; G144-K146 PolarHBondContact O-N 3.21Å; G144-V147 WeakPolarHBondContact O-CB 3.5Å; G144-V147 PolarHBondContact O-N 3.43Å; G144-V147 VanDerWaalsContact O-N 3.1Å; G144-D148 VanDerWaalsContact O-CG 3.24Å; G144-D148 PolarHBondContact O-N 2.92Å |
| 145 | K | 86.9 | Confident | 77.9 | Confident | 123 Ų | 123 | 105.6 Ų | 105.6 | 54% | 0.535 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.2 | -37.7 | 176.1 | -63.5 | 176.2 | -177 | 170.9 | 0 | 113.1 | D142 D148 I149 | D142-K145 HydrophobicContact CB-CD 4.21Å; D142-K145 HydrophobicContact CB-CG 4.24Å; D142-K145 WeakPolarHBondContact O-CA 3.5Å; D142-K145 WeakPolarHBondContact O-CB 3.45Å; D142-K145 PolarHBondContact O-N 3.17Å; D142-K145 PolarHBondContact OD1-N 3.42Å; K145-D148 PolarHBondContact O-N 3.45Å; K145-I149 WeakPolarHBondContact O-CB 3.41Å; K145-I149 WeakPolarHBondContact O-CD1 3.43Å; K145-I149 WeakPolarHBondContact O-CG1 3.41Å; K145-I149 PolarHBondContact O-N 2.85Å |
| 146 | K | 87.4 | Confident | 79.6 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 40% | 0.404 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 176.2 | -176.3 | 178.6 | 173.3 | -175 | 0 | 111 | L141 D142 W143 G144 D148 I149 V150 | L141-K146 HydrophobicContact CB-CB 4.46Å; D142-K146 PolarHBondContact O-N 2.97Å; W143-K146 HydrophobicContact CE3-CD 3.97Å; W143-K146 HydrophobicContact CZ3-CD 3.93Å; W143-K146 PolarHBondContact O-N 2.86Å; G144-K146 VanDerWaalsContact C-N 3.3Å; G144-K146 PolarHBondContact O-N 3.21Å; K146-D148 VanDerWaalsContact C-N 3.33Å; K146-I149 PolarHBondContact O-N 3.35Å; K146-V150 HydrophobicContact CG-CG2 4.46Å; K146-V150 WeakPolarHBondContact O-CB 2.99Å; K146-V150 WeakPolarHBondContact O-CG2 3.47Å; K146-V150 PolarHBondContact O-N 2.99Å |
| 147 | V | 90.8 | Very high | 81.2 | Confident | 87 Ų | 87 | 99.9 Ų | 99.9 | 53% | 0.527 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.2 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | W143 G144 I149 V150 Q151 | W143-V147 WeakPolarHBondContact O-CB 3.38Å; W143-V147 VanDerWaalsContact O-CG2 3.24Å; W143-V147 WeakPolarHBondContact O-CG2 3.41Å; W143-V147 PolarHBondContact O-N 3.04Å; G144-V147 WeakPolarHBondContact O-CB 3.5Å; G144-V147 PolarHBondContact O-N 3.43Å; G144-V147 VanDerWaalsContact O-N 3.1Å; V147-I149 PolarHBondContact O-N 2.97Å; V147-V150 PolarHBondContact O-N 2.93Å; V147-Q151 WeakPolarHBondContact O-CB 3.41Å; V147-Q151 PolarHBondContact O-N 3.48Å |
| 148 | D | 92.3 | Very high | 82.6 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 175.9 | -64.9 | -33.7 | 0 | 0 | 0 | 111.7 | G144 K145 K146 Q151 Q152 | G144-D148 VanDerWaalsContact O-CG 3.24Å; G144-D148 PolarHBondContact O-N 2.92Å; K145-D148 PolarHBondContact O-N 3.45Å; K146-D148 VanDerWaalsContact C-N 3.33Å; D148-Q151 PolarHBondContact O-N 2.94Å; D148-Q152 VanDerWaalsContact O-CB 3.23Å; D148-Q152 WeakPolarHBondContact O-CB 3.34Å; D148-Q152 PolarHBondContact O-N 2.93Å |
| 149 | I | 92.4 | Very high | 83.5 | Confident | 90 Ų | 90 | 101.2 Ų | 101.2 | 46% | 0.462 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 177.2 | -71.1 | 161.9 | 0 | 0 | 0 | 111 | L141 K145 K146 V147 Q152 L153 | L141-I149 HydrophobicContact CD2-CD1 3.41Å; L141-I149 VanDerWaalsContact CD2-CD1 3.41Å; L141-I149 HydrophobicContact CG-CD1 4.32Å; K145-I149 WeakPolarHBondContact O-CB 3.41Å; K145-I149 WeakPolarHBondContact O-CD1 3.43Å; K145-I149 WeakPolarHBondContact O-CG1 3.41Å; K145-I149 PolarHBondContact O-N 2.85Å; K146-I149 PolarHBondContact O-N 3.35Å; V147-I149 PolarHBondContact O-N 2.97Å; I149-Q152 PolarHBondContact O-N 3.29Å; I149-L153 WeakPolarHBondContact O-CB 3.42Å; I149-L153 PolarHBondContact O-N 3.31Å |
| 150 | V | 93.8 | Very high | 83.7 | Confident | 70 Ų | 70 | 98.5 Ų | 98.5 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 177.3 | 168.9 | 0 | 0 | 0 | 0 | 110.2 | K146 V147 Q152 L153 I154 | K146-V150 HydrophobicContact CG-CG2 4.46Å; K146-V150 WeakPolarHBondContact O-CB 2.99Å; K146-V150 WeakPolarHBondContact O-CG2 3.47Å; K146-V150 PolarHBondContact O-N 2.99Å; V147-V150 PolarHBondContact O-N 2.93Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 3.43Å; V150-L153 PolarHBondContact O-N 3.49Å; V150-I154 HydrophobicContact CG1-CD1 3.77Å; V150-I154 HydrophobicContact CG1-CG1 4.4Å; V150-I154 WeakPolarHBondContact O-CB 3.38Å; V150-I154 VanDerWaalsContact O-CG1 3.23Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 3.24Å |
| 151 | Q | 92.8 | Very high | 83.4 | Confident | 90 Ų | 90 | 96.6 Ų | 96.6 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.2 | -174.7 | 62.6 | 79.4 | 0 | 0 | 111.3 | V147 D148 L153 I154 N155 | V147-Q151 WeakPolarHBondContact O-CB 3.41Å; V147-Q151 PolarHBondContact O-N 3.48Å; D148-Q151 PolarHBondContact O-N 2.94Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; Q151-I154 PolarHBondContact O-N 3.27Å; Q151-N155 PolarHBondContact NE2-OD1 3.25Å; Q151-N155 WeakPolarHBondContact O-CB 3.32Å; Q151-N155 PolarHBondContact O-N 3.36Å; Q151-N155 PolarHBondContact O-ND2 3.38Å; Q151-N155 PolarHBondContact O-OD1 2.82Å |
| 152 | Q | 93.3 | Very high | 82.7 | Confident | 137 Ų | 137 | 95.9 Ų | 95.9 | 64% | 0.64 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -38.5 | 175 | -173.3 | 161.9 | 15.4 | 0 | 0 | 111.8 | D148 I149 V150 N155 Q156 | D148-Q152 VanDerWaalsContact O-CB 3.23Å; D148-Q152 WeakPolarHBondContact O-CB 3.34Å; D148-Q152 PolarHBondContact O-N 2.93Å; I149-Q152 PolarHBondContact O-N 3.29Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 3.43Å; Q152-N155 PolarHBondContact O-N 3.48Å; Q152-Q156 WeakPolarHBondContact O-CB 3.19Å; Q152-Q156 PolarHBondContact O-N 3.48Å |
| 153 | L | 92.6 | Very high | 81.1 | Confident | 103 Ų | 103 | 100 Ų | 100 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 175.7 | -165.2 | 71.1 | 0 | 0 | 0 | 111.8 | I149 V150 Q151 Q156 T157 | I149-L153 WeakPolarHBondContact O-CB 3.42Å; I149-L153 PolarHBondContact O-N 3.31Å; V150-L153 PolarHBondContact O-N 3.49Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; L153-Q156 PolarHBondContact O-N 2.8Å; L153-T157 WeakPolarHBondContact O-CB 3.48Å; L153-T157 PolarHBondContact O-N 3.05Å; L153-T157 PolarHBondContact O-OG1 3.33Å |
| 154 | I | 88.2 | Confident | 79.6 | Confident | 77 Ų | 77 | 94.4 Ų | 94.4 | 40% | 0.395 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 172.8 | -69.7 | 163.4 | 0 | 0 | 0 | 109.7 | V150 Q151 Q156 T157 L158 | V150-I154 HydrophobicContact CG1-CD1 3.77Å; V150-I154 HydrophobicContact CG1-CG1 4.4Å; V150-I154 WeakPolarHBondContact O-CB 3.38Å; V150-I154 VanDerWaalsContact O-CG1 3.23Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 3.24Å; Q151-I154 PolarHBondContact O-N 3.27Å; I154-Q156 VanDerWaalsContact C-N 3.32Å; I154-Q156 PolarHBondContact O-N 2.96Å; I154-T157 PolarHBondContact O-N 3.22Å; I154-L158 HydrophobicContact CG2-CD1 3.72Å; I154-L158 HydrophobicContact CG2-CG 4.26Å; I154-L158 WeakPolarHBondContact O-CB 3.48Å; I154-L158 VanDerWaalsContact O-CG 3.25Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 3.08Å |
| 155 | N | 85.1 | Confident | 77.7 | Confident | 89 Ų | 89 | 96.9 Ų | 96.9 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 179.2 | -68 | -13.8 | 0 | 0 | 0 | 111.6 | Q151 Q152 L159 | Q151-N155 PolarHBondContact NE2-OD1 3.25Å; Q151-N155 WeakPolarHBondContact O-CB 3.32Å; Q151-N155 PolarHBondContact O-N 3.36Å; Q151-N155 PolarHBondContact O-ND2 3.38Å; Q151-N155 PolarHBondContact O-OD1 2.82Å; Q152-N155 PolarHBondContact O-N 3.48Å; N155-L159 WeakPolarHBondContact O-CB 3.4Å; N155-L159 PolarHBondContact O-N 2.93Å; N155-L159 VanDerWaalsContact O-N 3.09Å |
| 156 | Q | 82.1 | Confident | 76.1 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 173.6 | -165.4 | -163.3 | 109.2 | 0 | 0 | 110.3 | Q152 L153 I154 L158 L159 L160 | Q152-Q156 WeakPolarHBondContact O-CB 3.19Å; Q152-Q156 PolarHBondContact O-N 3.48Å; L153-Q156 PolarHBondContact O-N 2.8Å; I154-Q156 VanDerWaalsContact C-N 3.32Å; I154-Q156 PolarHBondContact O-N 2.96Å; Q156-L158 PolarHBondContact O-N 3.37Å; Q156-L159 CarbonylContact O-C 3.58Å; Q156-L159 WeakPolarHBondContact O-CA 3.39Å; Q156-L159 WeakPolarHBondContact O-CB 3.49Å; Q156-L159 PolarHBondContact O-N 3.47Å; Q156-L159 VanDerWaalsContact O-N 3.07Å; Q156-L160 VanDerWaalsContact O-CG 3.3Å; Q156-L160 WeakPolarHBondContact O-CG 3.49Å; Q156-L160 PolarHBondContact O-N 3.26Å |
| 157 | T | 79.4 | Confident | 74.2 | Confident | 65 Ų | 65 | 96.4 Ų | 96.4 | 40% | 0.399 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -41.4 | -178.8 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | L153 I154 L159 L160 N161 | L153-T157 WeakPolarHBondContact O-CB 3.48Å; L153-T157 PolarHBondContact O-N 3.05Å; L153-T157 PolarHBondContact O-OG1 3.33Å; I154-T157 PolarHBondContact O-N 3.22Å; T157-L159 VanDerWaalsContact C-N 3.29Å; T157-L159 PolarHBondContact O-N 2.95Å; T157-L160 PolarHBondContact O-N 2.95Å; T157-N161 PolarHBondContact O-N 3.49Å; T157-N161 PolarHBondContact O-OD1 3.27Å; T157-N161 VanDerWaalsContact O-OD1 3.12Å |
| 158 | L | 79.6 | Confident | 72.3 | Confident | 112 Ų | 112 | 99.3 Ų | 99.3 | 59% | 0.586 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.9 | -34 | 175.7 | -68.9 | 172.2 | 0 | 0 | 0 | 111.9 | I154 Q156 N161 | I154-L158 HydrophobicContact CG2-CD1 3.72Å; I154-L158 HydrophobicContact CG2-CG 4.26Å; I154-L158 WeakPolarHBondContact O-CB 3.48Å; I154-L158 VanDerWaalsContact O-CG 3.25Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 3.08Å; Q156-L158 PolarHBondContact O-N 3.37Å; L158-N161 PolarHBondContact O-N 3.37Å |
| 159 | L | 73.9 | Confident | 70.4 | Confident | 138 Ų | 138 | 102 Ų | 102 | 72% | 0.723 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.8 | -30.6 | 174.6 | -158.5 | 71.1 | 0 | 0 | 0 | 112 | N155 Q156 T157 N161 G162 | N155-L159 WeakPolarHBondContact O-CB 3.4Å; N155-L159 PolarHBondContact O-N 2.93Å; N155-L159 VanDerWaalsContact O-N 3.09Å; Q156-L159 CarbonylContact O-C 3.58Å; Q156-L159 WeakPolarHBondContact O-CA 3.39Å; Q156-L159 WeakPolarHBondContact O-CB 3.49Å; Q156-L159 PolarHBondContact O-N 3.47Å; Q156-L159 VanDerWaalsContact O-N 3.07Å; T157-L159 VanDerWaalsContact C-N 3.29Å; T157-L159 PolarHBondContact O-N 2.95Å; L159-N161 PolarHBondContact O-N 2.91Å; L159-G162 PolarHBondContact O-N 2.87Å |
| 160 | L | 61.8 | Low | 68.2 | Low | 76 Ų | 76 | 105.2 Ų | 105.2 | 40% | 0.398 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.8 | -24.2 | 173.9 | -60.4 | 171.8 | 0 | 0 | 0 | 112.4 | Q156 T157 C165 | Q156-L160 VanDerWaalsContact O-CG 3.3Å; Q156-L160 WeakPolarHBondContact O-CG 3.49Å; Q156-L160 PolarHBondContact O-N 3.26Å; T157-L160 PolarHBondContact O-N 2.95Å; L160-C165 WeakPolarHBondContact CA-SG 3.24Å; L160-C165 HydrophobicContact CD2-CB 4.39Å; L160-C165 WeakPolarHBondContact CD2-SG 3.49Å |
| 161 | N | 58.2 | Low | 65.8 | Low | 114 Ų | 114 | 108.6 Ų | 108.6 | 61% | 0.61 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -8.1 | -179.4 | -69.1 | 17 | 0 | 0 | 0 | 113.9 | T157 L158 L159 | T157-N161 PolarHBondContact O-N 3.49Å; T157-N161 PolarHBondContact O-OD1 3.27Å; T157-N161 VanDerWaalsContact O-OD1 3.12Å; L158-N161 PolarHBondContact O-N 3.37Å; L159-N161 PolarHBondContact O-N 2.91Å |
| 162 | G | 54 | Low | 63.2 | Low | 49 Ų | 49 | 110.5 Ų | 110.5 | 51% | 0.505 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -109.6 | 97.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | L159 G164 | L159-G162 PolarHBondContact O-N 2.87Å; G162-G164 PolarHBondContact O-N 3.22Å |
| 163 | D | 49.5 | Very low | 61 | Low | 177 Ų | 177 | 107.5 Ų | 107.5 | 95% | 0.947 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 19.2 | 87.7 | 166.6 | -80.7 | -25.5 | 0 | 0 | 0 | 116.4 | ||
| 164 | G | 52.6 | Low | 58.7 | Low | 65 Ų | 65 | 106.3 Ų | 106.3 | 67% | 0.67 | 65% | 0.654 | S | S | * | * | trans | 132.6 | 59.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | G162 S166 | G162-G164 PolarHBondContact O-N 3.22Å; G164-S166 PolarHBondContact O-N 3.4Å | ||
| 165 | C | 45.3 | Very low | 56.4 | Low | 84 Ų | 84 | 107.7 Ų | 107.7 | 57% | 0.568 | 68% | 0.677 | S | S | * | * | trans | -69.5 | 93.6 | 162.9 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | L160 | L160-C165 WeakPolarHBondContact CA-SG 3.24Å; L160-C165 HydrophobicContact CD2-CB 4.39Å; L160-C165 WeakPolarHBondContact CD2-SG 3.49Å | ||
| 166 | S | 52.3 | Low | 54.7 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | -95.5 | 118.5 | 158.5 | -68.8 | 0 | 0 | 0 | 0 | 109.2 | G164 | G164-S166 PolarHBondContact O-N 3.4Š| ||
| 167 | S | 49.2 | Very low | 52.9 | Low | 97 Ų | 97 | 106.9 Ų | 106.9 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 99.2 | 20.1 | 150.1 | -49.2 | 0 | 0 | 0 | 0 | 122.6 | ||
| 168 | L | 49.7 | Very low | 51.4 | Low | 147 Ų | 147 | 110.2 Ų | 110.2 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -120.3 | 3.7 | 168.1 | -68.5 | -179.4 | 0 | 0 | 0 | 116.7 | ||
| 169 | L | 52.2 | Low | 49.7 | Very low | 163 Ų | 163 | 112.2 Ų | 112.2 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -109.4 | 35.6 | 168.3 | -67.6 | -176.9 | 0 | 0 | 0 | 112.8 | L171 | L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 3.01Å | ||
| 170 | L | 46.8 | Very low | 48.7 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | trans | -86 | 79.7 | 160.2 | -101 | 160.9 | 0 | 0 | 0 | 108 | ||||
| 171 | L | 43 | Very low | 48 | Very low | 141 Ų | 141 | 109.8 Ų | 109.8 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | -64.5 | 128.3 | 160.1 | -119.7 | 73.3 | 0 | 0 | 0 | 107.6 | L169 G173 | L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 3.01Å; L171-G173 PolarHBondContact O-N 3.47Å; L171-G173 VanDerWaalsContact O-N 3.09Å | ||
| 172 | P | 39 | Very low | 47.4 | Very low | 131 Ų | 131 | 111.4 Ų | 111.4 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -71.2 | 108.2 | 173.2 | 26.4 | -28 | 0 | 0 | 0 | 109 | ||
| 173 | G | 47.4 | Very low | 47.1 | Very low | 73 Ų | 73 | 114.8 Ų | 114.8 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 100.3 | 109.2 | 164 | 0 | 0 | 0 | 0 | 0 | 114.9 | L171 | L171-G173 PolarHBondContact O-N 3.47Å; L171-G173 VanDerWaalsContact O-N 3.09Å |
| 174 | G | 42.6 | Very low | 47.2 | Very low | 79 Ų | 79 | 110.4 Ų | 110.4 | 81% | 0.814 | 74% | 0.737 | S | S | * | * | trans | 120.8 | 97.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 175 | A | 41.4 | Very low | 47.1 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 88% | 0.876 | 74% | 0.737 | S | S | * | * | trans | 15.7 | 108.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 176 | G | 48.8 | Very low | 47.3 | Very low | 89 Ų | 89 | 111.5 Ų | 111.5 | 92% | 0.918 | 73% | 0.729 | S | S | * | * | 66.9 | 111 | 127.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 177 | G | 44.8 | Very low | 47.5 | Very low | 73 Ų | 73 | 115.1 Ų | 115.1 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | trans | 148.8 | 94.5 | 155 | 0 | 0 | 0 | 0 | 0 | 114.3 | L179 | G177-L179 PolarHBondContact O-N 3.25Š| ||
| 178 | T | 47.4 | Very low | 47.9 | Very low | 134 Ų | 134 | 115.4 Ų | 115.4 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -82.2 | 95.3 | 169.4 | 57.3 | 0 | 0 | 0 | 0 | 108.7 | S180 | T178-S180 PolarHBondContact O-N 3.48Å; T178-S180 VanDerWaalsContact O-N 3.12Å | ||
| 179 | L | 44.7 | Very low | 48 | Very low | 155 Ų | 155 | 112.6 Ų | 112.6 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -70.8 | 107.8 | 166.1 | -64.6 | -177.6 | 0 | 0 | 0 | 108 | G177 | G177-L179 PolarHBondContact O-N 3.25Š| ||
| 180 | S | 51.2 | Low | 48.2 | Very low | 68 Ų | 68 | 111.1 Ų | 111.1 | 48% | 0.476 | 71% | 0.711 | S | S | . | * | trans | -60.7 | 148 | 178.4 | -103.7 | 0 | 0 | 0 | 0 | 111.5 | T178 L182 E183 | T178-S180 PolarHBondContact O-N 3.48Å; T178-S180 VanDerWaalsContact O-N 3.12Å; S180-L182 PolarHBondContact O-N 2.99Å; S180-E183 PolarHBondContact O-N 3.31Å | ||
| 181 | P | 48.2 | Very low | 48.6 | Very low | 94 Ų | 94 | 109.3 Ų | 109.3 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -56.5 | -15.3 | -178 | -24.2 | 32.4 | 0 | 0 | 0 | 115.7 | ||
| 182 | L | 45.3 | Very low | 49.1 | Very low | 148 Ų | 148 | 107.1 Ų | 107.1 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -79.2 | -16.4 | -174.7 | -66.2 | 158.5 | 0 | 0 | 0 | 113.9 | S180 | S180-L182 PolarHBondContact O-N 2.99Š|
| 183 | E | 48.5 | Very low | 49.7 | Very low | 120 Ų | 120 | 106.5 Ų | 106.5 | 56% | 0.561 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -84.5 | -13.3 | 179.7 | -68.8 | -112.1 | 87.2 | 0 | 0 | 113 | S180 S185 | S180-E183 PolarHBondContact O-N 3.31Å; E183-S185 PolarHBondContact O-N 3.49Å |
| 184 | S | 50.8 | Low | 50 | Low | 86 Ų | 86 | 110.3 Ų | 110.3 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -76.8 | -0.7 | -177.4 | -62.3 | 0 | 0 | 0 | 0 | 114.2 | W187 | S184-W187 PolarHBondContact O-NE1 3.31Š|
| 185 | S | 49.8 | Very low | 50.6 | Low | 96 Ų | 96 | 111.7 Ų | 111.7 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -108.8 | 5.9 | -178.7 | -170.4 | 0 | 0 | 0 | 0 | 114.1 | E183 P188 | E183-S185 PolarHBondContact O-N 3.49Å; S185-P188 WeakPolarHBondContact O-CD 3.45Å |
| 186 | L | 49.6 | Very low | 50.9 | Low | 75 Ų | 75 | 111 Ų | 111 | 39% | 0.393 | 67% | 0.673 | S | S | . | * | trans | -94.9 | -0.5 | -174.5 | -69.3 | 166.5 | 0 | 0 | 0 | 114.4 | P188 S189 L190 | L186-P188 VanDerWaalsContact C-N 3.29Å; L186-S189 WeakPolarHBondContact O-CA 3.43Å; L186-S189 WeakPolarHBondContact O-CB 3.47Å; L186-S189 PolarHBondContact O-N 3.48Å; L186-S189 PolarHBondContact O-OG 3.45Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.86Å | ||
| 187 | W | 57.4 | Low | 51 | Low | 187 Ų | 187 | 113.2 Ų | 113.2 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -34.8 | 178.2 | -51.6 | 76.9 | 0 | 0 | 0 | 114.6 | S184 S189 | S184-W187 PolarHBondContact O-NE1 3.31Å; W187-S189 VanDerWaalsContact C-N 3.28Å; W187-S189 PolarHBondContact O-N 2.97Å |
| 188 | P | 57.3 | Low | 51.2 | Low | 102 Ų | 102 | 114.9 Ų | 114.9 | 66% | 0.662 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -25 | 174.8 | -18.3 | 32.6 | 0 | 0 | 0 | 113.4 | S185 L186 | S185-P188 WeakPolarHBondContact O-CD 3.45Å; L186-P188 VanDerWaalsContact C-N 3.29Å |
| 189 | S | 51.7 | Low | 51.5 | Low | 89 Ų | 89 | 112 Ų | 112 | 62% | 0.622 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -16.8 | -174.5 | -33.3 | 0 | 0 | 0 | 0 | 113.4 | L186 W187 L191 | L186-S189 WeakPolarHBondContact O-CA 3.43Å; L186-S189 WeakPolarHBondContact O-CB 3.47Å; L186-S189 PolarHBondContact O-N 3.48Å; L186-S189 PolarHBondContact O-OG 3.45Å; W187-S189 VanDerWaalsContact C-N 3.28Å; W187-S189 PolarHBondContact O-N 2.97Å; S189-L191 VanDerWaalsContact C-N 3.33Å |
| 190 | L | 55.5 | Low | 51.6 | Low | 132 Ų | 132 | 110.7 Ų | 110.7 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -83.4 | -9.5 | 179 | -68.3 | 172.6 | 0 | 0 | 0 | 113 | L186 | L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.86Å |
| 191 | L | 55.6 | Low | 51.6 | Low | 118 Ų | 118 | 113.3 Ų | 113.3 | 62% | 0.618 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -80.5 | 123.9 | 173.6 | -60.6 | 178 | 0 | 0 | 0 | 108.8 | S189 | S189-L191 VanDerWaalsContact C-N 3.33Š|
| 192 | P | 53.2 | Low | 51.4 | Low | 95 Ų | 95 | 114.8 Ų | 114.8 | 62% | 0.617 | 68% | 0.68 | S | S | * | * | trans | -52.9 | 142 | 170.7 | -20.2 | 29.8 | 0 | 0 | 0 | 109.6 | L194 | P192-L194 PolarHBondContact O-N 3.28Š| ||
| 193 | P | 52.8 | Low | 51.6 | Low | 117 Ų | 117 | 113 Ų | 113 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | trans | -57.5 | 109.8 | 175.1 | 21.6 | -29.8 | 0 | 0 | 0 | 108.8 | T195 | P193-T195 PolarHBondContact O-N 3.48Š| ||
| 194 | L | 52.7 | Low | 51.7 | Low | 153 Ų | 153 | 113.5 Ų | 113.5 | 80% | 0.801 | 69% | 0.69 | S | S | * | * | trans | -72.4 | 26.8 | -173.7 | -69.9 | 173.4 | 0 | 0 | 0 | 113.6 | P192 | P192-L194 PolarHBondContact O-N 3.28Š| ||
| 195 | T | 55.7 | Low | 51.7 | Low | 108 Ų | 108 | 114.9 Ų | 114.9 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | -129.2 | 101.4 | -178.9 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | P193 | P193-T195 PolarHBondContact O-N 3.48Š| ||
| 196 | P | 48.9 | Very low | 51.8 | Low | 92 Ų | 92 | 115.6 Ų | 115.6 | 60% | 0.597 | 71% | 0.705 | S | S | * | * | trans | -63 | 144.2 | 148.1 | 26.2 | -29.4 | 0 | 0 | 0 | 108.7 | S198 A199 | P196-S198 PolarHBondContact O-N 3.44Å; P196-A199 PolarHBondContact O-N 3.22Å | ||
| 197 | P | 50.8 | Low | 52.1 | Low | 136 Ų | 136 | 120.5 Ų | 120.5 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 22.6 | -170.4 | 27.9 | -36 | 0 | 0 | 0 | 115.7 | ||
| 198 | S | 47.8 | Very low | 51.5 | Low | 108 Ų | 108 | 116.5 Ų | 116.5 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.8 | 6.9 | 178.7 | -59.7 | 0 | 0 | 0 | 0 | 114.8 | P196 T200 | P196-S198 PolarHBondContact O-N 3.44Å; S198-T200 PolarHBondContact O-N 2.98Å; S198-T200 VanDerWaalsContact O-N 3.14Å |
| 199 | A | 53.4 | Low | 51 | Low | 73 Ų | 73 | 115.7 Ų | 115.7 | 60% | 0.603 | 72% | 0.719 | S | S | * | * | trans | -74.7 | 105.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | P196 | P196-A199 PolarHBondContact O-N 3.22Š| ||
| 200 | T | 48.5 | Very low | 51 | Low | 127 Ų | 127 | 120.7 Ų | 120.7 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | -98.2 | 117.8 | 170.9 | -57.5 | 0 | 0 | 0 | 0 | 109 | S198 T202 | S198-T200 PolarHBondContact O-N 2.98Å; S198-T200 VanDerWaalsContact O-N 3.14Å; T200-T202 PolarHBondContact O-N 2.93Å; T200-T202 VanDerWaalsContact O-N 3.13Å | ||
| 201 | V | 50.1 | Low | 50.6 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -72.5 | 102 | 175 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | V204 | V201-V204 HydrophobicContact CG1-CG2 4.35Š| ||
| 202 | T | 44.3 | Very low | 50.4 | Low | 125 Ų | 125 | 120.3 Ų | 120.3 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | trans | -99.6 | 109.5 | 173.8 | -146.2 | 0 | 0 | 0 | 0 | 108.3 | T200 | T200-T202 PolarHBondContact O-N 2.93Å; T200-T202 VanDerWaalsContact O-N 3.13Å | ||
| 203 | S | 49 | Very low | 50.4 | Low | 109 Ų | 109 | 119 Ų | 119 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 76.6 | 128.5 | 178.8 | 79.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 204 | V | 51.6 | Low | 50.4 | Low | 131 Ų | 131 | 119.5 Ų | 119.5 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | -117.2 | 111 | 165.6 | -172.4 | 0 | 0 | 0 | 0 | 105.1 | V201 | V201-V204 HydrophobicContact CG1-CG2 4.35Š| ||
| 205 | S | 49.7 | Very low | 49.9 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -88.2 | 108.8 | 174.7 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | F207 | S205-F207 PolarHBondContact O-N 3.13Š| ||
| 206 | S | 53.3 | Low | 49.7 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -70.5 | 109.4 | 171.6 | 58.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 207 | F | 54.6 | Low | 49.7 | Very low | 177 Ų | 177 | 121.1 Ų | 121.1 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -92 | 115.7 | 168.2 | -176.7 | -100.8 | 0 | 0 | 0 | 108.9 | S205 P209 | S205-F207 PolarHBondContact O-N 3.13Å; F207-P209 HydrophobicContact CE1-CB 4.17Å | ||
| 208 | S | 44.2 | Very low | 49.9 | Very low | 103 Ų | 103 | 118 Ų | 118 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -88.3 | 119.5 | 167.9 | -79.7 | 0 | 0 | 0 | 0 | 109 | E210 | S208-E210 PolarHBondContact O-N 2.86Å; S208-E210 VanDerWaalsContact O-N 3.14Å | ||
| 209 | P | 47.6 | Very low | 50.4 | Low | 86 Ų | 86 | 121.3 Ų | 121.3 | 56% | 0.558 | 77% | 0.765 | S | S | * | * | trans | -79.4 | 100 | 176 | 30.9 | -29.6 | 0 | 0 | 0 | 109.1 | F207 A211 | F207-P209 HydrophobicContact CE1-CB 4.17Å; P209-A211 VanDerWaalsContact C-N 3.35Å; P209-A211 PolarHBondContact O-N 2.91Å | ||
| 210 | E | 52.2 | Low | 50.4 | Low | 193 Ų | 193 | 127.9 Ų | 127.9 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -91.3 | 76.9 | 161 | -160.9 | 86.6 | 89.9 | 0 | 0 | 107.8 | S208 | S208-E210 PolarHBondContact O-N 2.86Å; S208-E210 VanDerWaalsContact O-N 3.14Å | ||
| 211 | A | 46.3 | Very low | 51.3 | Low | 88 Ų | 88 | 127.9 Ų | 127.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -145 | 105.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P209 G213 | P209-A211 VanDerWaalsContact C-N 3.35Å; P209-A211 PolarHBondContact O-N 2.91Å; A211-G213 PolarHBondContact O-N 3.26Å | ||
| 212 | T | 52.1 | Low | 51.9 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | trans | -58.9 | 114.6 | 170 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 213 | G | 53 | Low | 53 | Low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 131.9 | 107 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | A211 | A211-G213 PolarHBondContact O-N 3.26Š| ||
| 214 | S | 51.9 | Low | 53.9 | Low | 126 Ų | 126 | 129.1 Ų | 129.1 | 88% | 0.881 | 77% | 0.765 | S | S | * | * | trans | 83.2 | 98.3 | 145.6 | -157.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 215 | S | 43.2 | Very low | 54.7 | Low | 85 Ų | 85 | 129.9 Ų | 129.9 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | 155.4 | 135.2 | 119.2 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | Q217 | S215-Q217 VanDerWaalsContact C-N 3.27Å; S215-Q217 PolarHBondContact O-N 3.05Å; S215-Q217 VanDerWaalsContact O-N 3.13Å | |||
| 216 | P | 50.5 | Low | 55.2 | Low | 134 Ų | 134 | 132.4 Ų | 132.4 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | trans | -89.2 | 50.5 | -177 | 39.2 | -35.3 | 0 | 0 | 0 | 112 | ||||
| 217 | Q | 50.1 | Low | 55.9 | Low | 168 Ų | 168 | 131.9 Ų | 131.9 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -113.5 | 120.1 | 170.3 | -91.8 | 166.5 | -19.3 | 0 | 0 | 108.1 | S215 E219 | S215-Q217 VanDerWaalsContact C-N 3.27Å; S215-Q217 PolarHBondContact O-N 3.05Å; S215-Q217 VanDerWaalsContact O-N 3.13Å; Q217-E219 PolarHBondContact O-N 2.98Å |
| 218 | G | 54 | Low | 55.4 | Low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | -41.9 | 133.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W220 | G218-W220 PolarHBondContact O-N 2.79Š| ||
| 219 | E | 59.3 | Low | 55.7 | Low | 178 Ų | 178 | 137.9 Ų | 137.9 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -58.3 | 115.7 | 176.2 | -63.5 | 176.1 | 160 | 0 | 0 | 109.4 | Q217 | Q217-E219 PolarHBondContact O-N 2.98Š| ||
| 220 | W | 53.9 | Low | 56.1 | Low | 211 Ų | 211 | 140.5 Ų | 140.5 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -93.5 | 116.1 | 168.4 | 41.7 | -84.5 | 0 | 0 | 0 | 108 | G218 V222 | G218-W220 PolarHBondContact O-N 2.79Å; W220-V222 HydrophobicContact CE3-CG2 3.38Å; W220-V222 HydrophobicContact CH2-CG2 4.3Å; W220-V222 HydrophobicContact CZ3-CG2 3.11Å; W220-V222 PolarHBondContact O-N 3.46Å | ||
| 221 | T | 65.6 | Low | 56.3 | Low | 126 Ų | 126 | 137.7 Ų | 137.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 115 | 173.9 | -48.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 222 | V | 63.8 | Low | 56.9 | Low | 93 Ų | 93 | 140.5 Ų | 140.5 | 56% | 0.564 | 78% | 0.78 | S | S | * | * | trans | -73.1 | 126.4 | 169.8 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | W220 E224 | W220-V222 HydrophobicContact CE3-CG2 3.38Å; W220-V222 HydrophobicContact CH2-CG2 4.3Å; W220-V222 HydrophobicContact CZ3-CG2 3.11Å; W220-V222 PolarHBondContact O-N 3.46Å; V222-E224 HydrophobicContact CG1-CG 4.23Å | ||
| 223 | V | 66.8 | Low | 57.1 | Low | 106 Ų | 106 | 139.6 Ų | 139.6 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | trans | -111.7 | 107.3 | 170.8 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | L225 | V223-L225 HydrophobicContact CG1-CD2 4.42Å; V223-L225 HydrophobicContact CG1-CG 4.22Å | ||
| 224 | E | 68.7 | Low | 57.4 | Low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 117 | 171.3 | -64 | -173.3 | 145.5 | 0 | 0 | 108.7 | V222 | V222-E224 HydrophobicContact CG1-CG 4.23Š| ||
| 225 | L | 68.6 | Low | 57.8 | Low | 148 Ų | 148 | 145.3 Ų | 145.3 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -103.5 | 108.1 | 178.1 | -73.5 | 160.7 | 0 | 0 | 0 | 109 | V223 | V223-L225 HydrophobicContact CG1-CD2 4.42Å; V223-L225 HydrophobicContact CG1-CG 4.22Å | ||
| 226 | E | 59.7 | Low | 58.8 | Low | 167 Ų | 167 | 149.6 Ų | 149.6 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -78 | 121.6 | 170.9 | -173.3 | 170.4 | 92.1 | 0 | 0 | 109.6 | H228 | E226-H228 IonicContact OE1-CD2 3.66Å; E226-H228 IonicContact OE1-CE1 3.89Å; E226-H228 IonicContact OE1-NE2 2.84Å; E226-H228 PolarHBondContact OE1-NE2 2.98Å | ||
| 227 | T | 67.3 | Low | 59.4 | Low | 101 Ų | 101 | 150.8 Ų | 150.8 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | trans | -103 | 114.1 | 177.9 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | H229 | T227-H229 PolarHBondContact O-CE1 3.29Å; T227-H229 PolarHBondContact O-ND1 3Å; T227-H229 VanDerWaalsContact O-ND1 3.17Å | ||
| 228 | H | 45.9 | Very low | 60.2 | Low | 165 Ų | 165 | 149.4 Ų | 149.4 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -84.2 | 127.3 | 170.2 | -78 | -112 | 0 | 0 | 0 | 108.6 | E226 | E226-H228 IonicContact OE1-CD2 3.66Å; E226-H228 IonicContact OE1-CE1 3.89Å; E226-H228 IonicContact OE1-NE2 2.84Å; E226-H228 PolarHBondContact OE1-NE2 2.98Å | ||
| 229 | H | 49.3 | Very low | 60.8 | Low | 242 Ų | 242 | 156.5 Ų | 156.5 | 100% | 1.12 | 78% | 0.776 | S | S | * | * | trans | -96.7 | 0 | -178 | -59.8 | 69.8 | 0 | 0 | 0 | 110.7 | T227 | T227-H229 PolarHBondContact O-CE1 3.29Å; T227-H229 PolarHBondContact O-ND1 3Å; T227-H229 VanDerWaalsContact O-ND1 3.17Å |
Retrieved 229 of 229 residues in 86.9 ms
(Link to these results)