| 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 | 36.9 | Very low | 36.9 | Very low | 247 Ų | 247 | 169.7 Ų | 169.7 | 100% | 1.217 | 83% | 0.832 | S | S | * | * | 0 | 111.8 | 0 | -86.1 | 171 | 176.4 | 0 | 0 | 107.6 | |||||
| 2 | E | 34.3 | Very low | 37.5 | Very low | 171 Ų | 171 | 168.4 Ų | 168.4 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | trans | -54.4 | 162.6 | 158.9 | -52.2 | 168.2 | 100.4 | 0 | 0 | 109.3 | ||||
| 3 | H | 32.6 | Very low | 38.5 | Very low | 140 Ų | 140 | 165.2 Ų | 165.2 | 65% | 0.648 | 84% | 0.835 | S | S | * | * | cis | -172.9 | 138.2 | 43.4 | -130.9 | -80 | 0 | 0 | 0 | 109.5 | ||||
| 4 | T | 36 | Very low | 39.9 | Very low | 106 Ų | 106 | 162.6 Ų | 162.6 | 65% | 0.65 | 83% | 0.832 | S | S | * | * | trans | 56.9 | 116.2 | 138.3 | 39.7 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 5 | H | 39.5 | Very low | 41.5 | Very low | 189 Ų | 189 | 157.9 Ų | 157.9 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | 26 | 133.8 | 116.5 | -80.5 | -104.4 | 0 | 0 | 0 | 120.5 | |||||
| 6 | S | 32.5 | Very low | 43.1 | Very low | 113 Ų | 113 | 152 Ų | 152 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | -173.7 | 117.7 | 112.7 | -163.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 7 | L | 40.4 | Very low | 44 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -77.1 | 119.6 | 163 | -84.1 | 161.6 | 0 | 0 | 0 | 108 | ||||
| 8 | R | 33.6 | Very low | 45.1 | Very low | 241 Ų | 241 | 147 Ų | 147 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -98.1 | 102.2 | 175.7 | -174.1 | 154.4 | 142 | -158.4 | -6.5 | 109.6 | E10 | R8-E10 PolarHBondContact O-N 3.36Š| ||
| 9 | N | 33.5 | Very low | 46.2 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | trans | -52.4 | 123.2 | 163.5 | -110 | 19.6 | 0 | 0 | 0 | 109.8 | Q11 | N9-Q11 PolarHBondContact O-N 3.11Š| ||
| 10 | E | 44.6 | Very low | 47.3 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 94% | 0.944 | 73% | 0.727 | S | S | * | * | trans | -72.1 | 101.2 | 153.6 | -90.6 | -177.5 | 84.4 | 0 | 0 | 107.4 | R8 | R8-E10 PolarHBondContact O-N 3.36Š| ||
| 11 | Q | 42.2 | Very low | 48.1 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | trans | -95.3 | 111 | 166.5 | -97.1 | 164.5 | -16.5 | 0 | 0 | 108 | N9 S13 | N9-Q11 PolarHBondContact O-N 3.11Å; Q11-S13 PolarHBondContact O-N 3.15Å | ||
| 12 | D | 44.4 | Very low | 49.4 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | trans | -44.8 | 119.5 | 159.5 | -85.4 | -48.5 | 0 | 0 | 0 | 109.3 | V14 | D12-V14 VanDerWaalsContact C-N 3.26Å; D12-V14 PolarHBondContact O-N 3.2Å | ||
| 13 | S | 50.2 | Low | 50.8 | Low | 126 Ų | 126 | 131.7 Ų | 131.7 | 88% | 0.881 | 68% | 0.681 | S | S | * | * | trans | -67.5 | 88.1 | 172 | -94.6 | 0 | 0 | 0 | 0 | 109.1 | Q11 L15 | Q11-S13 PolarHBondContact O-N 3.15Å; S13-L15 PolarHBondContact O-N 3.21Å | ||
| 14 | V | 57.8 | Low | 52.1 | Low | 129 Ų | 129 | 134.6 Ų | 134.6 | 78% | 0.782 | 69% | 0.686 | S | S | * | * | trans | -67.8 | 113.5 | 167.3 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | D12 S16 | D12-V14 VanDerWaalsContact C-N 3.26Å; D12-V14 PolarHBondContact O-N 3.2Å; V14-S16 PolarHBondContact O-N 2.79Å | ||
| 15 | L | 64 | Low | 53 | Low | 92 Ų | 92 | 133.2 Ų | 133.2 | 48% | 0.482 | 69% | 0.686 | S | S | . | * | trans | -49.2 | 135.5 | 173 | -78.6 | 141.9 | 0 | 0 | 0 | 110.3 | S13 Q19 I20 | S13-L15 PolarHBondContact O-N 3.21Å; L15-Q19 HydrophobicContact CD2-CB 4.3Å; L15-Q19 HydrophobicContact CD2-CG 3.98Å; L15-Q19 VanDerWaalsContact CD2-OE1 3.31Å; L15-I20 HydrophobicContact CB-CG1 4.24Å | ||
| 16 | S | 66.8 | Low | 53.4 | Low | 64 Ų | 64 | 130.3 Ų | 130.3 | 45% | 0.448 | 68% | 0.677 | S | S | . | * | trans | -63.8 | 151.1 | -178.1 | 80.3 | 0 | 0 | 0 | 0 | 111 | V14 D18 Q19 I20 | V14-S16 PolarHBondContact O-N 2.79Å; S16-D18 PolarHBondContact O-N 3.47Å; S16-D18 VanDerWaalsContact O-N 3.13Å; S16-Q19 WeakPolarHBondContact O-CA 3.44Å; S16-Q19 VanDerWaalsContact O-CB 3.3Å; S16-Q19 WeakPolarHBondContact O-CB 3.3Å; S16-Q19 PolarHBondContact O-N 3.34Å; S16-Q19 PolarHBondContact OG-N 2.84Å; S16-I20 PolarHBondContact O-N 3.1Å; S16-I20 VanDerWaalsContact O-N 3.13Å | ||
| 17 | L | 58.6 | Low | 54.4 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 60% | 0.602 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -59.3 | -28.9 | -176.3 | -135.4 | 148.3 | 0 | 0 | 0 | 112.2 | R21 | L17-R21 WeakPolarHBondContact O-CG 3.41Å; L17-R21 PolarHBondContact O-N 2.07Å; L17-R21 VanDerWaalsContact O-N 3.12Å |
| 18 | D | 63 | Low | 55 | Low | 99 Ų | 99 | 128 Ų | 128 | 53% | 0.529 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -73.6 | -34.4 | 175.2 | -62.8 | -37.2 | 0 | 0 | 0 | 112 | S16 R21 T22 | S16-D18 PolarHBondContact O-N 3.47Å; S16-D18 VanDerWaalsContact O-N 3.13Å; D18-R21 PolarHBondContact O-N 3.19Å; D18-R21 IonicContact OD1-CZ 3.38Å; D18-R21 IonicContact OD1-NH1 2.69Å; D18-R21 PolarHBondContact OD1-NH1 3.44Å; D18-T22 PolarHBondContact O-N 3.35Å; D18-T22 PolarHBondContact O-OG1 3.11Å |
| 19 | Q | 67.1 | Low | 55.8 | Low | 101 Ų | 101 | 127.5 Ų | 127.5 | 47% | 0.472 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -66.6 | -39.3 | 175.2 | -140.5 | 168.8 | -10.3 | 0 | 0 | 111.4 | L15 S16 T22 I23 | L15-Q19 HydrophobicContact CD2-CB 4.3Å; L15-Q19 HydrophobicContact CD2-CG 3.98Å; L15-Q19 VanDerWaalsContact CD2-OE1 3.31Å; S16-Q19 WeakPolarHBondContact O-CA 3.44Å; S16-Q19 VanDerWaalsContact O-CB 3.3Å; S16-Q19 WeakPolarHBondContact O-CB 3.3Å; S16-Q19 PolarHBondContact O-N 3.34Å; S16-Q19 PolarHBondContact OG-N 2.84Å; Q19-T22 PolarHBondContact O-N 3.33Å; Q19-I23 WeakPolarHBondContact O-CD1 3.05Å; Q19-I23 VanDerWaalsContact O-CG1 3.26Å; Q19-I23 WeakPolarHBondContact O-CG1 3.26Å; Q19-I23 PolarHBondContact O-N 2.93Å; Q19-I23 VanDerWaalsContact O-N 3.13Å |
| 20 | I | 67.4 | Low | 56.5 | Low | 70 Ų | 70 | 126.7 Ų | 126.7 | 36% | 0.359 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.2 | -37.7 | 175.6 | -61.4 | 165.8 | 0 | 0 | 0 | 111.1 | L15 S16 R24 | L15-I20 HydrophobicContact CB-CG1 4.24Å; S16-I20 PolarHBondContact O-N 3.1Å; S16-I20 VanDerWaalsContact O-N 3.13Å; I20-R24 PolarHBondContact O-N 3.41Å; I20-R24 VanDerWaalsContact O-N 3.11Å |
| 21 | R | 65.3 | Low | 56.5 | Low | 148 Ų | 148 | 123.8 Ų | 123.8 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.3 | -41.2 | 175.2 | -75.8 | -174 | -146.8 | 134.8 | 3.6 | 112.1 | L17 D18 I23 R24 A25 | L17-R21 WeakPolarHBondContact O-CG 3.41Å; L17-R21 PolarHBondContact O-N 2.07Å; L17-R21 VanDerWaalsContact O-N 3.12Å; D18-R21 PolarHBondContact O-N 3.19Å; D18-R21 IonicContact OD1-CZ 3.38Å; D18-R21 IonicContact OD1-NH1 2.69Å; D18-R21 PolarHBondContact OD1-NH1 3.44Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 3.24Å; R21-R24 PolarHBondContact O-N 3.29Å; R21-A25 WeakPolarHBondContact O-CB 3.32Å; R21-A25 PolarHBondContact O-N 2.88Å |
| 22 | T | 63.5 | Low | 56.5 | Low | 103 Ų | 103 | 126.7 Ų | 126.7 | 63% | 0.632 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.1 | -39.3 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | D18 Q19 A25 | D18-T22 PolarHBondContact O-N 3.35Å; D18-T22 PolarHBondContact O-OG1 3.11Å; Q19-T22 PolarHBondContact O-N 3.33Å; T22-A25 PolarHBondContact O-N 2.85Å |
| 23 | I | 62.8 | Low | 56.4 | Low | 115 Ų | 115 | 124.1 Ų | 124.1 | 59% | 0.59 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.7 | -38 | 176.9 | -64.5 | 163.6 | 0 | 0 | 0 | 111.6 | Q19 R21 | Q19-I23 WeakPolarHBondContact O-CD1 3.05Å; Q19-I23 VanDerWaalsContact O-CG1 3.26Å; Q19-I23 WeakPolarHBondContact O-CG1 3.26Å; Q19-I23 PolarHBondContact O-N 2.93Å; Q19-I23 VanDerWaalsContact O-N 3.13Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 3.24Å |
| 24 | R | 60.5 | Low | 56.1 | Low | 201 Ų | 201 | 125.1 Ų | 125.1 | 76% | 0.758 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82.1 | -17.1 | 176.4 | -79.7 | -172.1 | -171 | 173.8 | 4.1 | 114.8 | I20 R21 N26 | I20-R24 PolarHBondContact O-N 3.41Å; I20-R24 VanDerWaalsContact O-N 3.11Å; R21-R24 PolarHBondContact O-N 3.29Å; R24-N26 VanDerWaalsContact C-N 3.31Å |
| 25 | A | 55.3 | Low | 55.2 | Low | 78 Ų | 78 | 121.8 Ų | 121.8 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.6 | -25.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | R21 T22 N27 | R21-A25 WeakPolarHBondContact O-CB 3.32Å; R21-A25 PolarHBondContact O-N 2.88Å; T22-A25 PolarHBondContact O-N 2.85Å; A25-N27 PolarHBondContact O-N 3.16Å |
| 26 | N | 48.3 | Very low | 54.3 | Low | 127 Ų | 127 | 125.5 Ų | 125.5 | 68% | 0.679 | 65% | 0.648 | S | S | * | * | trans | -88.6 | 90.2 | 172.6 | -120.9 | 7.4 | 0 | 0 | 0 | 109.5 | R24 D28 | R24-N26 VanDerWaalsContact C-N 3.31Å; N26-D28 VanDerWaalsContact C-N 3.33Å; N26-D28 PolarHBondContact O-N 3.08Å; N26-D28 VanDerWaalsContact O-N 3.13Å | ||
| 27 | N | 52.3 | Low | 53 | Low | 103 Ų | 103 | 129.7 Ų | 129.7 | 55% | 0.551 | 66% | 0.661 | S | S | * | * | trans | -80.9 | 85.4 | 167.2 | -74.3 | -81.2 | 0 | 0 | 0 | 109.1 | A25 Y29 V30 | A25-N27 PolarHBondContact O-N 3.16Å; N27-Y29 PolarHBondContact O-N 2.89Å; N27-V30 HydrophobicContact CB-CG2 3.28Å; N27-V30 PolarHBondContact O-N 3.43Å | ||
| 28 | D | 53.4 | Low | 51.9 | Low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -17.2 | 174 | -129 | -68.4 | 0 | 0 | 0 | 112.7 | N26 | N26-D28 VanDerWaalsContact C-N 3.33Å; N26-D28 PolarHBondContact O-N 3.08Å; N26-D28 VanDerWaalsContact O-N 3.13Å |
| 29 | Y | 51.2 | Low | 50.4 | Low | 231 Ų | 231 | 128.9 Ų | 128.9 | 91% | 0.906 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -10.5 | -178.1 | -110.6 | -89.7 | 0 | 0 | 0 | 115.4 | N27 | N27-Y29 PolarHBondContact O-N 2.89Š|
| 30 | V | 48.4 | Very low | 48.8 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 67% | 0.667 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -13.4 | -175.4 | -101.3 | 0 | 0 | 0 | 0 | 115.2 | N27 | N27-V30 HydrophobicContact CB-CG2 3.28Å; N27-V30 PolarHBondContact O-N 3.43Å |
| 31 | D | 43.5 | Very low | 47.4 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | trans | -118.2 | 50.2 | -174.9 | -84.4 | -52.3 | 0 | 0 | 0 | 114 | P33 | D31-P33 VanDerWaalsContact C-CD 3.47Å; D31-P33 VanDerWaalsContact O-CD 3.22Å; D31-P33 WeakPolarHBondContact O-CD 3.27Å | ||
| 32 | R | 42.2 | Very low | 45.8 | Very low | 218 Ų | 218 | 133.6 Ų | 133.6 | 82% | 0.823 | 73% | 0.728 | S | S | * | * | trans | -106.1 | 87.2 | 161.2 | -156.6 | 171.6 | -169.4 | 138.9 | 0.1 | 110.5 | ||||
| 33 | P | 41.8 | Very low | 44.1 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | -62 | 144.2 | 154.8 | 29.3 | -29.9 | 0 | 0 | 0 | 107.3 | D31 A35 | D31-P33 VanDerWaalsContact C-CD 3.47Å; D31-P33 VanDerWaalsContact O-CD 3.22Å; D31-P33 WeakPolarHBondContact O-CD 3.27Å; P33-A35 VanDerWaalsContact C-N 3.29Å; P33-A35 PolarHBondContact O-N 2.82Å | ||
| 34 | V | 44.9 | Very low | 42.7 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | trans | -56.6 | 91.8 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 35 | A | 39.3 | Very low | 41.2 | Very low | 59 Ų | 59 | 137.1 Ų | 137.1 | 49% | 0.488 | 75% | 0.754 | S | S | . | * | trans | -89.7 | 110.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | P33 E37 | P33-A35 VanDerWaalsContact C-N 3.29Å; P33-A35 PolarHBondContact O-N 2.82Å; A35-E37 VanDerWaalsContact C-N 3.31Å; A35-E37 PolarHBondContact O-N 3.18Å; A35-E37 VanDerWaalsContact O-N 3.1Å | ||
| 36 | L | 44.8 | Very low | 40 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -65.5 | 95.5 | 156.6 | -82 | 154.8 | 0 | 0 | 0 | 106.6 | ||||
| 37 | E | 39.5 | Very low | 39.2 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 71% | 0.71 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 126.7 | 172.4 | -86 | -69.4 | 97.3 | 0 | 0 | 109.9 | A35 | A35-E37 VanDerWaalsContact C-N 3.31Å; A35-E37 PolarHBondContact O-N 3.18Å; A35-E37 VanDerWaalsContact O-N 3.1Å | ||
| 38 | P | 36 | Very low | 38.1 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | trans | -74.6 | 132.9 | 166.5 | 25.9 | -21.3 | 0 | 0 | 0 | 109.4 | S40 | P38-S40 PolarHBondContact O-N 2.96Š| ||
| 39 | A | 30.9 | Very low | 37.2 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -54.3 | 107.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q41 | A39-Q41 PolarHBondContact O-N 3.04Š| ||
| 40 | S | 32.8 | Very low | 36.3 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -77.6 | 93 | 166.4 | 52.5 | 0 | 0 | 0 | 0 | 109.1 | P38 | P38-S40 PolarHBondContact O-N 2.96Š| ||
| 41 | Q | 39.4 | Very low | 35.4 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -86.6 | 109.9 | 164.9 | -76.4 | -173.9 | 14.2 | 0 | 0 | 109.6 | A39 | A39-Q41 PolarHBondContact O-N 3.04Š| ||
| 42 | S | 31.8 | Very low | 34.9 | Very low | 121 Ų | 121 | 148 Ų | 148 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -151.8 | 117.4 | 155.5 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 43 | G | 27.4 | Very low | 34.4 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 165 | 70.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 44 | F | 32.2 | Very low | 34 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | trans | -43.4 | 134.7 | 161.8 | -94.7 | -107.2 | 0 | 0 | 0 | 113.4 | ||||
| 45 | Y | 29.4 | Very low | 33.4 | Very low | 217 Ų | 217 | 145 Ų | 145 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -149.9 | 120.6 | 143.7 | -94.4 | -83.5 | 0 | 0 | 0 | 112.1 | ||||
| 46 | Y | 31 | Very low | 33.1 | Very low | 211 Ų | 211 | 151.5 Ų | 151.5 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 41.2 | 116.6 | 154.7 | -78.9 | -97.8 | 0 | 0 | 0 | 122.7 | ||||
| 47 | A | 31.6 | Very low | 32.5 | Very low | 102 Ų | 102 | 151.8 Ų | 151.8 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -62 | 129.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 48 | H | 29.8 | Very low | 32.9 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -118.1 | 110.9 | 154.3 | -163.8 | -64.7 | 0 | 0 | 0 | 106.8 | D50 | H48-D50 IonicContact CE1-OD2 3.89Å; H48-D50 PolarHBondContact O-N 2.85Å | ||
| 49 | E | 33.6 | Very low | 32.7 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -56.2 | 130 | 165.9 | -91.4 | -174.8 | 87.3 | 0 | 0 | 108.9 | ||||
| 50 | D | 31.8 | Very low | 33.6 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -142.5 | 111.9 | 139.2 | -101.5 | -39.9 | 0 | 0 | 0 | 110 | H48 | H48-D50 IonicContact CE1-OD2 3.89Å; H48-D50 PolarHBondContact O-N 2.85Å | ||
| 51 | R | 30.1 | Very low | 33.4 | Very low | 201 Ų | 201 | 152.3 Ų | 152.3 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -91.4 | 104 | -174.2 | 170.7 | -173.9 | 146.9 | 166.4 | -3.3 | 107.6 | V53 | R51-V53 HydrophobicContact CG-CG2 4.21Š| ||
| 52 | I | 33.2 | Very low | 32.9 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 82% | 0.821 | 77% | 0.766 | S | S | * | * | trans | -116.4 | 111.8 | 154.5 | -62.1 | -165.2 | 0 | 0 | 0 | 109.4 | ||||
| 53 | V | 31.9 | Very low | 32.8 | Very low | 86 Ų | 86 | 150.7 Ų | 150.7 | 52% | 0.521 | 77% | 0.765 | S | S | . | * | trans | -69.1 | 126 | 176.4 | 167.5 | 0 | 0 | 0 | 0 | 109.4 | R51 | R51-V53 HydrophobicContact CG-CG2 4.21Š| ||
| 54 | Y | 32.2 | Very low | 33 | Very low | 227 Ų | 227 | 152.7 Ų | 152.7 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -150.6 | 120.8 | 135 | -87.7 | -69.6 | 0 | 0 | 0 | 110.2 | ||||
| 55 | S | 32.7 | Very low | 33 | Very low | 91 Ų | 91 | 148.8 Ų | 148.8 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -60.5 | 143.4 | 172.2 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 56 | H | 32.8 | Very low | 33.2 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 90% | 0.903 | 77% | 0.765 | S | S | * | * | -177.4 | 135.5 | 111.8 | -94.9 | -71.9 | 0 | 0 | 0 | 111.5 | |||||
| 57 | H | 33.1 | Very low | 33.3 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -93.6 | -173.4 | 178.1 | -156.9 | 13.4 | 0 | 0 | 0 | 109.3 | ||||
| 58 | P | 46.7 | Very low | 33.2 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 57% | 0.571 | 76% | 0.764 | S | S | * | * | -121.8 | -172.5 | -101.7 | 44.2 | -29.5 | 0 | 0 | 0 | 115.4 | |||||
| 59 | Q | 32.4 | Very low | 33.2 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | 101.7 | 153 | 148.1 | -77.4 | -81 | -41 | 0 | 0 | 119.6 | ||||
| 60 | P | 49 | Very low | 33.2 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 62% | 0.623 | 77% | 0.768 | S | S | * | * | trans | -114.1 | 172.1 | -148.7 | 44.7 | -36.4 | 0 | 0 | 0 | 113.4 | ||||
| 61 | S | 29.3 | Very low | 33.3 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 173.7 | 110.7 | 153.4 | 19 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 62 | S | 28.9 | Very low | 33.4 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | 75.9 | 138 | 90.7 | 60.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 63 | F | 30.7 | Very low | 33.4 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | 83.9 | 105 | 164.3 | -48.1 | -72.6 | 0 | 0 | 0 | 118.3 | ||||
| 64 | S | 31.2 | Very low | 33.4 | Very low | 119 Ų | 119 | 144 Ų | 144 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | 167.2 | 132 | 93.8 | -81.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 65 | S | 31.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -61.6 | 144.8 | 167.6 | 36.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 66 | A | 33.3 | Very low | 33.4 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -157.2 | 117.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 67 | L | 34.2 | Very low | 33.3 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -66.2 | 147.7 | 163.8 | -108.4 | 69.4 | 0 | 0 | 0 | 111.2 | ||||
| 68 | S | 28.9 | Very low | 33.2 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | 159.9 | 118.1 | 128.3 | -78 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 69 | R | 29.9 | Very low | 32.6 | Very low | 229 Ų | 229 | 143.5 Ų | 143.5 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | 90.9 | 105.8 | 75 | -164.6 | 177 | -168.1 | 163.6 | 2.9 | 112 | |||||
| 70 | S | 33.7 | Very low | 32.7 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 11.9 | 129.9 | 144.2 | 10.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 71 | Q | 32.8 | Very low | 32 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -156.5 | 141.4 | 137.9 | -135.3 | 178.3 | 55.6 | 0 | 0 | 113.2 | ||||
| 72 | S | 32.4 | Very low | 32.2 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -91 | 149.5 | 177.1 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 73 | Q | 33.9 | Very low | 32.4 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -176.1 | 111.4 | 143.5 | -109.1 | 171.5 | 3.2 | 0 | 0 | 107.4 | ||||
| 74 | Q | 32 | Very low | 32.6 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 82.6 | 134.8 | 68.8 | -146.2 | 177.3 | 1.1 | 0 | 0 | 114 | |||||
| 75 | Q | 33.3 | Very low | 32.8 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | 89.6 | 139.6 | 164.7 | -61.4 | -176.1 | -9 | 0 | 0 | 117.3 | ||||
| 76 | H | 30.6 | Very low | 33 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | cis | -155.9 | 168.5 | 8.5 | -112.6 | -61.3 | 0 | 0 | 0 | 110.8 | ||||
| 77 | A | 31.2 | Very low | 33.2 | Very low | 83 Ų | 83 | 148.6 Ų | 148.6 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | -78 | 159.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 78 | H | 31.7 | Very low | 33.2 | Very low | 202 Ų | 202 | 147.7 Ų | 147.7 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -154.4 | 132.8 | 137.5 | -114.3 | -83.9 | 0 | 0 | 0 | 112.4 | ||||
| 79 | L | 33.6 | Very low | 33.5 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -96.6 | 137.7 | -177.2 | -131 | 150.9 | 0 | 0 | 0 | 108.7 | ||||
| 80 | A | 34.9 | Very low | 33.7 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -153.6 | 122.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 81 | H | 32.8 | Very low | 33.7 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 68% | 0.681 | 80% | 0.802 | S | S | * | * | trans | -122.3 | 136.1 | -176.7 | 175.4 | -83.8 | 0 | 0 | 0 | 107.2 | ||||
| 82 | L | 34.1 | Very low | 33.9 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | 170.8 | 99.8 | 155.8 | -92.5 | 140 | 0 | 0 | 0 | 107.5 | ||||
| 83 | S | 34 | Very low | 34 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | 59.5 | 109.8 | 80.5 | -63.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 84 | R | 34.9 | Very low | 34.1 | Very low | 255 Ų | 255 | 145 Ų | 145 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | trans | -163.2 | 119.5 | 136.6 | -133.5 | 169.3 | 171.7 | 164 | -3.4 | 113.2 | ||||
| 85 | S | 33.8 | Very low | 34.4 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -87.3 | 164.4 | 168.5 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 86 | S | 36.8 | Very low | 34.5 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | 165.3 | 107.3 | 133.4 | -67.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 87 | T | 37 | Very low | 34.6 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | 61.2 | 133.1 | 100.8 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 88 | V | 35.2 | Very low | 34.7 | Very low | 147 Ų | 147 | 140 Ų | 140 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | -164.5 | 158.1 | 63.4 | -127.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 89 | S | 34.3 | Very low | 34.9 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -89.3 | 164.4 | -176.7 | -44.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 90 | S | 34.3 | Very low | 35 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 157.4 | 148 | 137 | 50 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 91 | S | 33.6 | Very low | 35.1 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | cis | -164.9 | 170.6 | 24.1 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 92 | I | 37.1 | Very low | 35.4 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | trans | -76.3 | 151.9 | -171.5 | -109.9 | 157.3 | 0 | 0 | 0 | 116.4 | ||||
| 93 | S | 34.2 | Very low | 35.6 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | 31.6 | 141.1 | 149.8 | -45.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 94 | R | 37.5 | Very low | 35.9 | Very low | 251 Ų | 251 | 145.9 Ų | 145.9 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | trans | -164.6 | 132.7 | 131.9 | -106.4 | 175.1 | -85.1 | -168.9 | -1.5 | 112.5 | ||||
| 95 | T | 37.5 | Very low | 35.8 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | -91.9 | 161.9 | 169.9 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 96 | S | 34.9 | Very low | 35.7 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | 94.9 | 149.5 | 153 | -55.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 97 | A | 33.2 | Very low | 35.5 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | 92.4 | 101 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 98 | T | 33.7 | Very low | 35.8 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | 62 | 125.3 | 63.5 | 74.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 99 | S | 34.5 | Very low | 35.9 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | trans | 80.6 | 112 | 154.6 | -163.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 100 | D | 36.4 | Very low | 36 | Very low | 164 Ų | 164 | 138 Ų | 138 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | -146.7 | 124.9 | 109.1 | -100.9 | -30.3 | 0 | 0 | 0 | 112.4 | |||||
| 101 | Q | 37.3 | Very low | 36 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -93.6 | 133.2 | 166.6 | -62.5 | 174 | 21.5 | 0 | 0 | 108.1 | ||||
| 102 | R | 38.5 | Very low | 36.1 | Very low | 238 Ų | 238 | 140.7 Ų | 140.7 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | 170.6 | 112.8 | 148 | -101.3 | 173.7 | 168.4 | -155 | -3.2 | 104.5 | ||||
| 103 | L | 38.2 | Very low | 35.9 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | S | Bend | -147.2 | 117.6 | 72 | -73.4 | 165.2 | 0 | 0 | 0 | 111.8 | |||
| 104 | L | 40 | Very low | 36.4 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | 61.3 | 106.6 | 142.7 | -63.5 | 167.8 | 0 | 0 | 0 | 120.2 | ||||
| 105 | A | 33.2 | Very low | 36.5 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -76.1 | 161.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 106 | G | 32.3 | Very low | 36.6 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 96.3 | 130.5 | 158 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 107 | L | 31.8 | Very low | 36.9 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | cis | -158.6 | 139.3 | 36.8 | -66.9 | 165.1 | 0 | 0 | 0 | 110.1 | ||||
| 108 | T | 43.1 | Very low | 37.3 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -66.6 | 142.9 | 149.1 | 51 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 109 | P | 37.5 | Very low | 37.5 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | -142 | 145.2 | 107.2 | 17.7 | 4 | 0 | 0 | 0 | 114.5 | |||||
| 110 | S | 37.4 | Very low | 37.9 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -60.1 | 144 | 167 | -50.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 111 | H | 33.5 | Very low | 38.5 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | 161.5 | 124 | 126.7 | -90 | -81.1 | 0 | 0 | 0 | 112.5 | |||||
| 112 | S | 36.7 | Very low | 38.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | 56.4 | 117.4 | 150.5 | 57.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 113 | G | 33.3 | Very low | 38.9 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | 160.1 | 80.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 114 | F | 45 | Very low | 38.7 | Very low | 215 Ų | 215 | 129.3 Ų | 129.3 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | trans | 8.8 | 108.1 | 154.1 | -64.8 | -91.3 | 0 | 0 | 0 | 119.2 | ||||
| 115 | S | 37.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | -163.8 | 100.1 | 124.6 | -170.3 | 0 | 0 | 0 | 0 | 108.4 | V117 | S115-V117 PolarHBondContact O-N 2.8Å; S115-V117 VanDerWaalsContact O-N 3.13Å | |||
| 116 | S | 41.3 | Very low | 39 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -68.5 | 105.1 | 166.5 | 62.9 | 0 | 0 | 0 | 0 | 107.7 | I118 | S116-I118 PolarHBondContact O-N 2.72Š| ||
| 117 | V | 39.4 | Very low | 38.9 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | -73.4 | 86 | 158.6 | 176.7 | 0 | 0 | 0 | 0 | 106.3 | S115 H119 | S115-V117 PolarHBondContact O-N 2.8Å; S115-V117 VanDerWaalsContact O-N 3.13Å; V117-H119 PolarHBondContact O-N 2.95Å; V117-H119 VanDerWaalsContact O-N 3.13Å | ||
| 118 | I | 42.4 | Very low | 39.2 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 65% | 0.646 | 78% | 0.775 | S | S | * | * | trans | -67.9 | 100.3 | 167.4 | -63 | 179.7 | 0 | 0 | 0 | 105.9 | S116 S120 | S116-I118 PolarHBondContact O-N 2.72Å; I118-S120 PolarHBondContact O-N 3.37Å | ||
| 119 | H | 39 | Very low | 38.5 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -86.8 | 78.2 | 158.1 | -144.3 | -69.2 | 0 | 0 | 0 | 107 | V117 Q121 | V117-H119 PolarHBondContact O-N 2.95Å; V117-H119 VanDerWaalsContact O-N 3.13Å; H119-Q121 PolarHBondContact O-N 3.48Å | ||
| 120 | S | 41.3 | Very low | 38.4 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -63.3 | 104.1 | 166.7 | 47.7 | 0 | 0 | 0 | 0 | 107.5 | I118 | I118-S120 PolarHBondContact O-N 3.37Š| ||
| 121 | Q | 49.5 | Very low | 38.6 | Very low | 169 Ų | 169 | 134 Ų | 134 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -57.7 | 136.7 | 160.7 | -82.5 | -171.3 | -63.3 | 0 | 0 | 108.2 | H119 K123 | H119-Q121 PolarHBondContact O-N 3.48Å; Q121-K123 PolarHBondContact O-N 3.34Å | ||
| 122 | P | 41.7 | Very low | 38.6 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -61 | 117.4 | 164.6 | 25.1 | -29.7 | 0 | 0 | 0 | 107.5 | G124 | P122-G124 VanDerWaalsContact C-N 3.35Å; P122-G124 PolarHBondContact O-N 2.98Å | ||
| 123 | K | 42.1 | Very low | 38.4 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -62.1 | 99.6 | 170 | -169.7 | 153.5 | -179.9 | 170.4 | 0 | 106.6 | Q121 E125 | Q121-K123 PolarHBondContact O-N 3.34Å; K123-E125 VanDerWaalsContact C-N 3.32Å; K123-E125 PolarHBondContact O-N 2.99Å | ||
| 124 | G | 33.5 | Very low | 38.6 | Very low | 75 Ų | 75 | 138.6 Ų | 138.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -65.6 | 95.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | P122 L126 | P122-G124 VanDerWaalsContact C-N 3.35Å; P122-G124 PolarHBondContact O-N 2.98Å; G124-L126 PolarHBondContact O-N 3.23Å | ||
| 125 | E | 34.4 | Very low | 37.9 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | -61.9 | 123.7 | 169.8 | -66.8 | -173.9 | 138.7 | 0 | 0 | 108.8 | K123 K127 | K123-E125 VanDerWaalsContact C-N 3.32Å; K123-E125 PolarHBondContact O-N 2.99Å; E125-K127 PolarHBondContact O-N 3.08Å | ||
| 126 | L | 45.3 | Very low | 38 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -47.2 | 105.2 | 162.9 | 179.7 | 71 | 0 | 0 | 0 | 109.2 | G124 | G124-L126 PolarHBondContact O-N 3.23Š| ||
| 127 | K | 31.6 | Very low | 37.9 | Very low | 166 Ų | 166 | 136 Ų | 136 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -131.1 | 102.2 | 166.4 | -135.6 | 166.3 | -173.4 | 168.4 | 0 | 107 | E125 N129 | E125-K127 PolarHBondContact O-N 3.08Å; K127-N129 VanDerWaalsContact C-N 3.35Å; K127-N129 VanDerWaalsContact CB-OD1 3.22Å; K127-N129 WeakPolarHBondContact CB-OD1 3.42Å; K127-N129 WeakPolarHBondContact CG-OD1 3.5Å; K127-N129 PolarHBondContact O-N 2.91Å; K127-N129 PolarHBondContact O-OD1 2.8Å | ||
| 128 | S | 38.2 | Very low | 38.2 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -68.5 | 96.2 | 169.7 | 61.6 | 0 | 0 | 0 | 0 | 107.4 | T130 | S128-T130 PolarHBondContact O-N 3.29Š| ||
| 129 | N | 28.1 | Very low | 38.5 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | -99 | 90.4 | 179.4 | -55 | 1.2 | 0 | 0 | 0 | 107.6 | K127 | K127-N129 VanDerWaalsContact C-N 3.35Å; K127-N129 VanDerWaalsContact CB-OD1 3.22Å; K127-N129 WeakPolarHBondContact CB-OD1 3.42Å; K127-N129 WeakPolarHBondContact CG-OD1 3.5Å; K127-N129 PolarHBondContact O-N 2.91Å; K127-N129 PolarHBondContact O-OD1 2.8Å | ||
| 130 | T | 35.7 | Very low | 39.1 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -48.4 | 133.5 | 160.2 | -46.8 | 0 | 0 | 0 | 0 | 110.8 | S128 | S128-T130 PolarHBondContact O-N 3.29Š| ||
| 131 | S | 41.3 | Very low | 39.7 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 56% | 0.559 | 75% | 0.752 | S | S | * | * | trans | 81.1 | 122.3 | 151.2 | -155.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 132 | F | 32.5 | Very low | 40.3 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | 176.2 | 100.3 | 92.8 | -106.3 | -80.9 | 0 | 0 | 0 | 110.6 | |||||
| 133 | G | 32.9 | Very low | 42 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 72% | 0.717 | S | S | * | * | trans | -126.7 | 105.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | G135 | G133-G135 PolarHBondContact O-N 2.84Š| ||
| 134 | K | 38.2 | Very low | 43.8 | Very low | 198 Ų | 198 | 122.3 Ų | 122.3 | 86% | 0.861 | 69% | 0.687 | S | S | * | * | trans | -77.4 | 106.4 | -164.7 | -165.9 | 171 | 177.7 | -176.6 | 0 | 111 | ||||
| 135 | G | 29 | Very low | 46.2 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -137.2 | 133.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | G133 | G133-G135 PolarHBondContact O-N 2.84Š| ||
| 136 | L | 40.5 | Very low | 48.7 | Very low | 157 Ų | 157 | 116.4 Ų | 116.4 | 82% | 0.822 | 64% | 0.638 | S | S | * | * | trans | -79.1 | 127.5 | -159.3 | -67 | 154 | 0 | 0 | 0 | 112.1 | ||||
| 137 | T | 40.1 | Very low | 50.8 | Low | 133 Ų | 133 | 108 Ų | 108 | 82% | 0.816 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 48.1 | 82.9 | 152.5 | 56.4 | 0 | 0 | 0 | 0 | 117.9 | ||
| 138 | D | 44.5 | Very low | 53.5 | Low | 125 Ų | 125 | 106.1 Ų | 106.1 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | trans | -153.5 | 7.4 | 153 | -150.5 | 24.2 | 0 | 0 | 0 | 115 | E140 A141 | D138-E140 PolarHBondContact O-N 3.44Å; D138-A141 WeakPolarHBondContact O-CB 2.89Å; D138-A141 PolarHBondContact O-N 3.35Å; D138-A141 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 139 | E | 49.5 | Very low | 55.8 | Low | 163 Ų | 163 | 108.6 Ų | 108.6 | 76% | 0.762 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -14.3 | -169.4 | -65.6 | -94.2 | 114.6 | 0 | 0 | 114.4 | A141 | E139-A141 VanDerWaalsContact C-N 3.26Š|
| 140 | E | 50.3 | Low | 58.6 | Low | 164 Ų | 164 | 104.7 Ų | 104.7 | 77% | 0.766 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -1.4 | 173.5 | -80.5 | -175 | 93.1 | 0 | 0 | 112.5 | D138 L144 | D138-E140 PolarHBondContact O-N 3.44Å; E140-L144 WeakPolarHBondContact O-CD1 3.46Å |
| 141 | A | 54.3 | Low | 60.9 | Low | 36 Ų | 36 | 100.9 Ų | 100.9 | 30% | 0.298 | 55% | 0.55 | S | S | . | . | trans | -93.4 | -10.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D138 E139 H143 L144 | D138-A141 WeakPolarHBondContact O-CB 2.89Å; D138-A141 PolarHBondContact O-N 3.35Å; D138-A141 WeakPolarHBondContact OD1-CB 3.37Å; E139-A141 VanDerWaalsContact C-N 3.26Å; A141-H143 VanDerWaalsContact C-N 3.31Å; A141-H143 PolarHBondContact O-N 2.94Å; A141-H143 VanDerWaalsContact O-N 3.14Å; A141-L144 HydrophobicContact CB-CD1 4.23Å; A141-L144 WeakPolarHBondContact O-CD1 3.31Å; A141-L144 PolarHBondContact O-N 3.43Å | ||
| 142 | E | 63.3 | Low | 63.1 | Low | 109 Ų | 109 | 102.9 Ų | 102.9 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -16 | -157.7 | -64.2 | -161.6 | 133.6 | 0 | 0 | 115.4 | C155 | E142-C155 WeakPolarHBondContact O-CB 3.49Å; E142-C155 PolarHBondContact O-SG 3.42Å |
| 143 | H | 76.6 | Confident | 65.8 | Low | 78 Ų | 78 | 94.6 Ų | 94.6 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 14.5 | -179.9 | -65.7 | -60.2 | 0 | 0 | 0 | 115.4 | A141 F145 C153 C155 C158 I273 | A141-H143 VanDerWaalsContact C-N 3.31Å; A141-H143 PolarHBondContact O-N 2.94Å; A141-H143 VanDerWaalsContact O-N 3.14Å; H143-F145 PolarHBondContact O-N 2.86Å; H143-C153 VanDerWaalsContact CA-SG 3.59Å; H143-C153 PolarHBondContact O-SG 3Å; H143-C155 PolarHBondContact CE1-SG 3.06Å; H143-C155 PolarHBondContact ND1-SG 3.25Å; H143-C158 PolarHBondContact CE1-SG 2.64Å; H143-C158 PolarHBondContact ND1-SG 3.15Å; H143-I273 HydrophobicContact CB-CD1 4Å; H143-I273 WeakPolarHBondContact O-CD1 3.47Å |
| 144 | L | 79.3 | Confident | 68.5 | Low | 38 Ų | 38 | 93.6 Ų | 93.6 | 20% | 0.199 | 48% | 0.483 | C | S | . | . | trans | -73.9 | -21.7 | -173.7 | -74.5 | 93.1 | 0 | 0 | 0 | 115.5 | E140 A141 I146 V269 C270 R271 K272 | E140-L144 WeakPolarHBondContact O-CD1 3.46Å; A141-L144 HydrophobicContact CB-CD1 4.23Å; A141-L144 WeakPolarHBondContact O-CD1 3.31Å; A141-L144 PolarHBondContact O-N 3.43Å; L144-I146 PolarHBondContact O-N 3.21Å; L144-I146 VanDerWaalsContact O-N 3.08Å; L144-V269 VanDerWaalsContact O-O 3.08Å; L144-C270 WeakPolarHBondContact O-CA 3.41Å; L144-R271 VanDerWaalsContact CA-O 3.27Å; L144-R271 WeakPolarHBondContact CA-O 3.42Å; L144-R271 WeakPolarHBondContact CB-O 3.26Å; L144-R271 WeakPolarHBondContact CG-O 3.3Å; L144-R271 PolarHBondContact O-N 3.07Å; L144-K272 HydrophobicContact CD2-CB 3.98Å; L144-K272 HydrophobicContact CD2-CG 4.35Å | ||
| 145 | F | 84.1 | Confident | 70.8 | Confident | 98 Ų | 98 | 85 Ų | 85 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 96.2 | -176.4 | -61.6 | -78.1 | 0 | 0 | 0 | 110.2 | H143 C153 K154 C270 | H143-F145 PolarHBondContact O-N 2.86Å; F145-C153 CarbonylContact O-C 3.46Å; F145-C153 WeakPolarHBondContact O-CA 3.4Å; F145-K154 HydrophobicContact CB-CB 4.25Å; F145-K154 PolarHBondContact O-N 3.5Å; F145-C270 VanDerWaalsContact CE1-SG 3.57Å |
| 146 | I | 88.3 | Confident | 73.3 | Confident | 17 Ų | 17 | 90.2 Ų | 90.2 | 9% | 0.087 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.5 | 178.9 | -59.6 | -57.3 | 0 | 0 | 0 | 110.3 | L144 G151 C153 T268 V269 R271 I273 | L144-I146 PolarHBondContact O-N 3.21Å; L144-I146 VanDerWaalsContact O-N 3.08Å; I146-G151 VanDerWaalsContact CG2-C 3.5Å; I146-G151 WeakPolarHBondContact CG2-O 3.18Å; I146-C153 HydrophobicContact CD1-CB 3.89Å; I146-T268 WeakPolarHBondContact O-CA 3.3Å; I146-V269 PolarHBondContact N-O 3.45Å; I146-V269 PolarHBondContact O-N 3.25Å; I146-R271 HydrophobicContact CG1-CB 4.41Å; I146-I273 HydrophobicContact CD1-CD1 3.7Å; I146-I273 HydrophobicContact CD1-CG1 4.45Å; I146-I273 HydrophobicContact CG1-CD1 4.27Å |
| 147 | C | 88.9 | Confident | 75.5 | Confident | 1 Ų | 1 | 87.6 Ų | 87.6 | 1% | 0.007 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128.2 | 172.2 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | R149 C150 G151 R152 K154 C261 T266 | C147-R149 VanDerWaalsContact C-N 3.27Å; C147-R149 PolarHBondContact O-N 2.83Å; C147-R149 PolarHBondContact SG-N 3.33Å; C147-C150 WeakPolarHBondContact CB-SG 3.46Å; C147-C150 PolarHBondContact SG-N 2.84Å; C147-C150 VanDerWaalsContact SG-N 3.44Å; C147-C150 VanDerWaalsContact SG-SG 3.61Å; C147-G151 VanDerWaalsContact O-CA 3.26Å; C147-G151 WeakPolarHBondContact O-CA 3.47Å; C147-G151 PolarHBondContact O-N 3.47Å; C147-R152 PolarHBondContact N-O 2.83Å; C147-K154 HydrophobicContact CB-CG 4.21Å; C147-C261 HydrophobicContact CB-CB 3.77Å; C147-C261 WeakPolarHBondContact CB-SG 3.26Å; C147-C261 PolarHBondContact SG-SG 3.13Å; C147-T266 PolarHBondContact SG-OG1 2.94Å |
| 148 | E | 87.9 | Confident | 77.6 | Confident | 126 Ų | 126 | 82 Ų | 82 | 59% | 0.589 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -30.6 | 177 | -64.3 | -176.7 | 142.2 | 0 | 0 | 113.7 | N267 V269 | E148-N267 WeakPolarHBondContact OE2-CB 3.48Å; E148-V269 VanDerWaalsContact CD-CG2 3.5Å; E148-V269 HydrophobicContact CG-CB 4.33Å; E148-V269 HydrophobicContact CG-CG2 3.36Å; E148-V269 WeakPolarHBondContact OE1-CG2 2.95Å |
| 149 | R | 86.3 | Confident | 79.5 | Confident | 162 Ų | 162 | 77.6 Ų | 77.6 | 61% | 0.611 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -39.9 | -176.7 | -165.7 | 171.4 | 76.5 | -162.3 | 10.6 | 113 | C147 C263 S264 T266 | C147-R149 VanDerWaalsContact C-N 3.27Å; C147-R149 PolarHBondContact O-N 2.83Å; C147-R149 PolarHBondContact SG-N 3.33Å; R149-C263 VanDerWaalsContact CZ-CB 3.48Å; R149-C263 VanDerWaalsContact CZ-SG 3.51Å; R149-C263 PolarHBondContact NE-SG 3.13Å; R149-C263 VanDerWaalsContact NH2-CA 3.28Å; R149-C263 PolarHBondContact NH2-SG 3.42Å; R149-S264 PolarHBondContact NH1-O 3.32Å; R149-T266 HydrophobicContact CB-CG2 3.99Å; R149-T266 VanDerWaalsContact NH1-CG2 3.34Å |
| 150 | C | 86.8 | Confident | 81.1 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 31% | 0.311 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -11 | -170.3 | 83 | 0 | 0 | 0 | 0 | 113.4 | C147 R152 C261 | C147-C150 WeakPolarHBondContact CB-SG 3.46Å; C147-C150 PolarHBondContact SG-N 2.84Å; C147-C150 VanDerWaalsContact SG-N 3.44Å; C147-C150 VanDerWaalsContact SG-SG 3.61Å; C150-R152 PolarHBondContact O-N 2.88Å; C150-R152 VanDerWaalsContact O-N 3.1Å; C150-R152 VanDerWaalsContact SG-CB 3.52Å; C150-R152 PolarHBondContact SG-N 3.36Å; C150-C261 WeakPolarHBondContact CB-SG 3.41Å; C150-C261 WeakPolarHBondContact SG-CB 2.97Å; C150-C261 CovalentContact SG-SG 2.07Å; C150-C261 PolarHBondContact SG-SG 3.21Å |
| 151 | G | 84.3 | Confident | 82.6 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | trans | 67.5 | 2.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | I146 C147 | I146-G151 VanDerWaalsContact CG2-C 3.5Å; I146-G151 WeakPolarHBondContact CG2-O 3.18Å; C147-G151 VanDerWaalsContact O-CA 3.26Å; C147-G151 WeakPolarHBondContact O-CA 3.47Å; C147-G151 PolarHBondContact O-N 3.47Å | ||
| 152 | R | 87.9 | Confident | 84 | Confident | 122 Ų | 122 | 70.6 Ų | 70.6 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | trans | -92.2 | 153.7 | -178.9 | -55.2 | -179.5 | -178.9 | -155.5 | -1.6 | 112.3 | C147 C150 P259 G260 C261 | C147-R152 PolarHBondContact N-O 2.83Å; C150-R152 PolarHBondContact O-N 2.88Å; C150-R152 VanDerWaalsContact O-N 3.1Å; C150-R152 VanDerWaalsContact SG-CB 3.52Å; C150-R152 PolarHBondContact SG-N 3.36Å; R152-P259 WeakPolarHBondContact CD-O 3.44Å; R152-G260 WeakPolarHBondContact CD-O 3.16Å; R152-C261 HydrophobicContact CB-CB 3.95Å | ||
| 153 | C | 89.9 | Confident | 84.7 | Confident | 14 Ų | 14 | 73.9 Ų | 73.9 | 10% | 0.095 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 143.7 | 177.7 | -169 | 0 | 0 | 0 | 0 | 112.1 | H143 F145 I146 C155 C158 G260 C261 | H143-C153 VanDerWaalsContact CA-SG 3.59Å; H143-C153 PolarHBondContact O-SG 3Å; F145-C153 CarbonylContact O-C 3.46Å; F145-C153 WeakPolarHBondContact O-CA 3.4Å; I146-C153 HydrophobicContact CD1-CB 3.89Å; C153-C155 PolarHBondContact SG-N 3.41Å; C153-C155 PolarHBondContact SG-SG 3.44Å; C153-C158 HydrophobicContact CB-CB 4.03Å; C153-G260 CarbonylContact O-C 3.42Å; C153-G260 WeakPolarHBondContact O-CA 3.43Å; C153-C261 PolarHBondContact O-N 3.12Å |
| 154 | K | 87.9 | Confident | 84.8 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 25% | 0.252 | 35% | 0.348 | S | S | . | . | trans | -107.2 | 2.1 | 177.8 | -67.5 | -143.3 | -168.1 | -177.9 | 0 | 113.7 | F145 C147 C159 C261 T266 T268 | F145-K154 HydrophobicContact CB-CB 4.25Å; F145-K154 PolarHBondContact O-N 3.5Å; C147-K154 HydrophobicContact CB-CG 4.21Å; K154-C159 VanDerWaalsContact C-SG 3.6Å; K154-C159 PolarHBondContact O-SG 3.41Å; K154-C159 VanDerWaalsContact O-SG 3.41Å; K154-C261 HydrophobicContact CG-CB 4.06Å; K154-T266 WeakPolarHBondContact CE-OG1 3.41Å; K154-T266 PolarHBondContact NZ-O 2.93Å; K154-T266 PolarHBondContact NZ-OG1 3.12Å; K154-T268 HydrophobicContact CB-CG2 4.31Å; K154-T268 HydrophobicContact CD-CG2 3.39Å; K154-T268 HydrophobicContact CG-CG2 3.95Å | ||
| 155 | C | 86.3 | Confident | 84.6 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -61 | 158.7 | 179.7 | 75.7 | 0 | 0 | 0 | 0 | 112.1 | E142 H143 C153 E157 C158 C159 | E142-C155 WeakPolarHBondContact O-CB 3.49Å; E142-C155 PolarHBondContact O-SG 3.42Å; H143-C155 PolarHBondContact CE1-SG 3.06Å; H143-C155 PolarHBondContact ND1-SG 3.25Å; C153-C155 PolarHBondContact SG-N 3.41Å; C153-C155 PolarHBondContact SG-SG 3.44Å; C155-E157 VanDerWaalsContact C-N 3.28Å; C155-E157 PolarHBondContact O-N 2.92Å; C155-C158 PolarHBondContact O-N 3.38Å; C155-C158 VanDerWaalsContact SG-CB 3.57Å; C155-C158 PolarHBondContact SG-N 3.48Å; C155-C158 VanDerWaalsContact SG-N 3.38Å; C155-C158 VanDerWaalsContact SG-SG 3.69Å; C155-C159 WeakPolarHBondContact O-CB 3.36Å; C155-C159 PolarHBondContact O-N 2.88Å; C155-C159 PolarHBondContact O-SG 2.87Å |
| 156 | Q | 83.4 | Confident | 83.8 | Confident | 179 Ų | 179 | 70.8 Ų | 70.8 | 84% | 0.836 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.5 | -40.5 | -176.7 | -175.9 | 170.7 | 4.5 | 0 | 0 | 112.2 | C159 S160 | Q156-C159 CarbonylContact O-C 3.14Å; Q156-C159 PolarHBondContact O-N 3.48Å; Q156-S160 PolarHBondContact O-N 3.29Å |
| 157 | E | 85.4 | Confident | 82.6 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 48% | 0.477 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.3 | -51.6 | 179.6 | -179 | 49.8 | -132.2 | 0 | 0 | 111.9 | C155 C159 S160 R162 | C155-E157 VanDerWaalsContact C-N 3.28Å; C155-E157 PolarHBondContact O-N 2.92Å; E157-C159 PolarHBondContact O-N 3.48Å; E157-S160 WeakPolarHBondContact O-CB 3.37Å; E157-S160 PolarHBondContact O-N 3.34Å; E157-S160 PolarHBondContact O-OG 3.48Å; E157-R162 IonicContact OE1-CZ 2.97Å; E157-R162 IonicContact OE1-NH1 3.83Å; E157-R162 PolarHBondContact OE1-NH1 3.5Å; E157-R162 IonicContact OE1-NH2 3.06Å; E157-R162 PolarHBondContact OE1-NH2 3.48Å |
| 158 | C | 84.9 | Confident | 81.3 | Confident | 15 Ų | 15 | 79 Ų | 79 | 10% | 0.101 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.1 | -27.6 | 176.8 | -76.9 | 0 | 0 | 0 | 0 | 112.9 | H143 C153 C155 R258 P259 G260 | H143-C158 PolarHBondContact CE1-SG 2.64Å; H143-C158 PolarHBondContact ND1-SG 3.15Å; C153-C158 HydrophobicContact CB-CB 4.03Å; C155-C158 PolarHBondContact O-N 3.38Å; C155-C158 VanDerWaalsContact SG-CB 3.57Å; C155-C158 PolarHBondContact SG-N 3.48Å; C155-C158 VanDerWaalsContact SG-N 3.38Å; C155-C158 VanDerWaalsContact SG-SG 3.69Å; C158-R258 WeakPolarHBondContact O-CG 3.2Å; C158-P259 HydrophobicContact CB-CG 4.34Å; C158-G260 WeakPolarHBondContact O-CA 3.27Å; C158-G260 PolarHBondContact O-N 3.21Å |
| 159 | C | 84.1 | Confident | 79.9 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 22% | 0.223 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -90.8 | -4.6 | 178.7 | -75.1 | 0 | 0 | 0 | 0 | 114.1 | K154 C155 Q156 E157 R258 | K154-C159 VanDerWaalsContact C-SG 3.6Å; K154-C159 PolarHBondContact O-SG 3.41Å; K154-C159 VanDerWaalsContact O-SG 3.41Å; C155-C159 WeakPolarHBondContact O-CB 3.36Å; C155-C159 PolarHBondContact O-N 2.88Å; C155-C159 PolarHBondContact O-SG 2.87Å; Q156-C159 CarbonylContact O-C 3.14Å; Q156-C159 PolarHBondContact O-N 3.48Å; E157-C159 PolarHBondContact O-N 3.48Å; C159-R258 VanDerWaalsContact C-CZ 3.48Å; C159-R258 VanDerWaalsContact C-NE 3.28Å; C159-R258 PolarHBondContact O-NE 2.94Å; C159-R258 PolarHBondContact O-NH2 2.93Å |
| 160 | S | 83.6 | Confident | 78.6 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -65.7 | 138.2 | 179.3 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | Q156 E157 R162 | Q156-S160 PolarHBondContact O-N 3.29Å; E157-S160 WeakPolarHBondContact O-CB 3.37Å; E157-S160 PolarHBondContact O-N 3.34Å; E157-S160 PolarHBondContact O-OG 3.48Å; S160-R162 PolarHBondContact O-N 3.3Å; S160-R162 PolarHBondContact OG-NH1 3.27Å |
| 161 | P | 82.1 | Confident | 77.5 | Confident | 101 Ų | 101 | 76.5 Ų | 76.5 | 66% | 0.656 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 131.1 | 173.4 | -20.4 | 31.7 | 0 | 0 | 0 | 110.5 | D254 | P161-D254 VanDerWaalsContact CA-OD1 3.22Å; P161-D254 WeakPolarHBondContact CA-OD1 3.33Å |
| 162 | R | 82.8 | Confident | 76.5 | Confident | 85 Ų | 85 | 81.6 Ų | 81.6 | 32% | 0.321 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 116.9 | 177.3 | -64.9 | -58.5 | -167 | -150.6 | 7 | 109.8 | E157 S160 D254 | E157-R162 IonicContact OE1-CZ 2.97Å; E157-R162 IonicContact OE1-NH1 3.83Å; E157-R162 PolarHBondContact OE1-NH1 3.5Å; E157-R162 IonicContact OE1-NH2 3.06Å; E157-R162 PolarHBondContact OE1-NH2 3.48Å; S160-R162 PolarHBondContact O-N 3.3Å; S160-R162 PolarHBondContact OG-NH1 3.27Å; R162-D254 PolarHBondContact N-OD1 3.48Å |
| 163 | R | 77.7 | Confident | 75.5 | Confident | 178 Ų | 178 | 85.3 Ų | 85.3 | 67% | 0.672 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 153.3 | 172.8 | -68.9 | -73.8 | -174.1 | 140 | 3.1 | 109.8 | E179 | R163-E179 IonicContact NH1-OE1 3.99Å; R163-E179 PolarHBondContact NH1-OE1 2.97Å |
| 164 | L | 78.6 | Confident | 74.4 | Confident | 24 Ų | 24 | 87 Ų | 87 | 13% | 0.126 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 143.4 | 169.6 | -69.5 | 164.9 | 0 | 0 | 0 | 108.9 | W168 A178 Q250 H253 | L164-W168 HydrophobicContact CB-CZ2 4.07Å; L164-W168 HydrophobicContact CD2-CH2 4.03Å; L164-W168 HydrophobicContact CD2-CZ2 3.57Å; L164-W168 HydrophobicContact CG-CZ2 4.24Å; L164-A178 HydrophobicContact CD1-CB 4.22Å; L164-Q250 HydrophobicContact CD1-CB 4.4Å; L164-Q250 HydrophobicContact CD1-CG 3.32Å; L164-Q250 HydrophobicContact CG-CB 4.45Å; L164-Q250 HydrophobicContact CG-CG 3.6Å; L164-H253 HydrophobicContact CD2-CB 3.79Å |
| 165 | P | 74.9 | Confident | 73.1 | Confident | 66 Ų | 66 | 91.9 Ų | 91.9 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 143.6 | 172 | -25.1 | 33.3 | 0 | 0 | 0 | 110.9 | C167 W168 | P165-C167 VanDerWaalsContact C-N 3.29Å; P165-W168 PolarHBondContact O-NE1 3.14Å |
| 166 | S | 67.3 | Low | 72.3 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -81.1 | -8.8 | 179 | 52 | 0 | 0 | 0 | 0 | 113.5 | C176 S177 | S166-C176 CarbonylContact O-C 3.36Å; S166-S177 PolarHBondContact O-N 3.46Å |
| 167 | C | 63.7 | Low | 72.2 | Confident | 27 Ų | 27 | 86.9 Ų | 86.9 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | trans | -130.8 | 94.1 | -173.3 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | P165 Q172 | P165-C167 VanDerWaalsContact C-N 3.29Å; C167-Q172 PolarHBondContact SG-OE1 2.88Å | ||
| 168 | W | 61.6 | Low | 72.2 | Confident | 165 Ų | 165 | 83.3 Ų | 83.3 | 63% | 0.625 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -96 | -30.6 | -179.3 | -70.6 | 64.7 | 0 | 0 | 0 | 113.4 | L164 P165 | L164-W168 HydrophobicContact CB-CZ2 4.07Å; L164-W168 HydrophobicContact CD2-CH2 4.03Å; L164-W168 HydrophobicContact CD2-CZ2 3.57Å; L164-W168 HydrophobicContact CG-CZ2 4.24Å; P165-W168 PolarHBondContact O-NE1 3.14Å |
| 169 | A | 59.4 | Low | 72.3 | Confident | 94 Ų | 94 | 86.5 Ų | 86.5 | 78% | 0.777 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -124.6 | -14.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 170 | C | 58.1 | Low | 72.4 | Confident | 32 Ų | 32 | 86.1 Ų | 86.1 | 22% | 0.216 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -137.4 | 60.8 | -165.1 | -179.5 | 0 | 0 | 0 | 0 | 111 | Q172 R173 C174 | C170-Q172 CarbonylContact O-C 3.45Å; C170-Q172 WeakPolarHBondContact O-CA 3.41Å; C170-Q172 PolarHBondContact O-N 3.27Å; C170-R173 PolarHBondContact O-N 2.97Å; C170-C174 HydrophobicContact CB-CB 3.51Å; C170-C174 WeakPolarHBondContact CB-SG 3.48Å; C170-C174 WeakPolarHBondContact SG-CB 3.46Å; C170-C174 PolarHBondContact SG-N 2.69Å; C170-C174 CovalentContact SG-SG 2.05Å; C170-C174 PolarHBondContact SG-SG 3.29Å |
| 171 | E | 64.1 | Low | 72.7 | Confident | 155 Ų | 155 | 88.8 Ų | 88.8 | 72% | 0.724 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 19.4 | 52.7 | 166.6 | -62.3 | -179.1 | 173.1 | 0 | 0 | 116.9 | R173 | E171-R173 PolarHBondContact O-N 3.31Å; E171-R173 VanDerWaalsContact O-N 3.11Å; E171-R173 IonicContact OE2-CZ 3.23Å; E171-R173 IonicContact OE2-NH2 2.72Å; E171-R173 PolarHBondContact OE2-NH2 2.98Å |
| 172 | Q | 63.8 | Low | 73.1 | Confident | 157 Ų | 157 | 85.2 Ų | 85.2 | 73% | 0.734 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 9.8 | -172.6 | -56.4 | -69.6 | -12.3 | 0 | 0 | 117.6 | C167 C170 | C167-Q172 PolarHBondContact SG-OE1 2.88Å; C170-Q172 CarbonylContact O-C 3.45Å; C170-Q172 WeakPolarHBondContact O-CA 3.41Å; C170-Q172 PolarHBondContact O-N 3.27Å |
| 173 | R | 65.3 | Low | 73.5 | Confident | 201 Ų | 201 | 83.6 Ų | 83.6 | 76% | 0.758 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -14.6 | 178.6 | -54.6 | -177.4 | -154.2 | 178.6 | 10.9 | 114 | C170 E171 | C170-R173 PolarHBondContact O-N 2.97Å; E171-R173 PolarHBondContact O-N 3.31Å; E171-R173 VanDerWaalsContact O-N 3.11Å; E171-R173 IonicContact OE2-CZ 3.23Å; E171-R173 IonicContact OE2-NH2 2.72Å; E171-R173 PolarHBondContact OE2-NH2 2.98Å |
| 174 | C | 67.6 | Low | 74 | Confident | 50 Ų | 50 | 82.8 Ų | 82.8 | 34% | 0.338 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -131.5 | 129.3 | 179.4 | -43.2 | 0 | 0 | 0 | 0 | 110.5 | C170 C176 | C170-C174 HydrophobicContact CB-CB 3.51Å; C170-C174 WeakPolarHBondContact CB-SG 3.48Å; C170-C174 WeakPolarHBondContact SG-CB 3.46Å; C170-C174 PolarHBondContact SG-N 2.69Å; C170-C174 CovalentContact SG-SG 2.05Å; C170-C174 PolarHBondContact SG-SG 3.29Å; C174-C176 WeakPolarHBondContact CB-SG 3.2Å; C174-C176 PolarHBondContact O-N 2.99Å |
| 175 | L | 60.4 | Low | 74.5 | Confident | 159 Ų | 159 | 84.3 Ų | 84.3 | 83% | 0.832 | 46% | 0.456 | S | S | * | . | trans | -74 | 62.4 | 168.8 | -69.7 | 169.4 | 0 | 0 | 0 | 110.5 | S177 | L175-S177 PolarHBondContact O-N 3.41Š| ||
| 176 | C | 68.8 | Low | 75.4 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 36% | 0.358 | 44% | 0.438 | S | S | . | . | trans | -90.1 | 72.1 | 177.7 | -66.6 | 0 | 0 | 0 | 0 | 110 | S166 C174 | S166-C176 CarbonylContact O-C 3.36Å; C174-C176 WeakPolarHBondContact CB-SG 3.2Å; C174-C176 PolarHBondContact O-N 2.99Å | ||
| 177 | S | 81.9 | Confident | 76.6 | Confident | 38 Ų | 38 | 80 Ų | 80 | 27% | 0.266 | 43% | 0.427 | S | S | . | . | trans | -64.3 | 146.7 | 171.3 | 76.4 | 0 | 0 | 0 | 0 | 110.2 | S166 L175 E179 S180 T181 | S166-S177 PolarHBondContact O-N 3.46Å; L175-S177 PolarHBondContact O-N 3.41Å; S177-E179 PolarHBondContact O-N 3.31Å; S177-S180 PolarHBondContact N-OG 2.93Å; S177-S180 PolarHBondContact O-N 2.95Å; S177-S180 PolarHBondContact O-OG 2.84Å; S177-S180 WeakPolarHBondContact OG-CB 3.46Å; S177-S180 PolarHBondContact OG-N 2.83Å; S177-S180 VanDerWaalsContact OG-N 3.09Å; S177-S180 PolarHBondContact OG-OG 3.39Å; S177-T181 PolarHBondContact O-N 2.82Å; S177-T181 VanDerWaalsContact O-N 3.1Å; S177-T181 PolarHBondContact O-OG1 2.05Å | ||
| 178 | A | 85.9 | Confident | 77.9 | Confident | 28 Ų | 28 | 78.9 Ų | 78.9 | 23% | 0.231 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.7 | -32.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L164 V182 L246 | L164-A178 HydrophobicContact CD1-CB 4.22Å; A178-V182 WeakPolarHBondContact O-CG2 3.27Å; A178-V182 PolarHBondContact O-N 3.3Å; A178-L246 VanDerWaalsContact C-CD1 3.42Å; A178-L246 HydrophobicContact CB-CD1 3.7Å; A178-L246 WeakPolarHBondContact O-CD1 3.49Å |
| 179 | E | 87.1 | Confident | 79.3 | Confident | 81 Ų | 81 | 73 Ų | 73 | 38% | 0.379 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.6 | -48.8 | 178.6 | -66 | 172 | -177.6 | 0 | 0 | 111 | R163 S177 T181 V182 E183 L246 Q250 | R163-E179 IonicContact NH1-OE1 3.99Å; R163-E179 PolarHBondContact NH1-OE1 2.97Å; S177-E179 PolarHBondContact O-N 3.31Å; E179-T181 VanDerWaalsContact C-N 3.32Å; E179-T181 PolarHBondContact O-N 3.32Å; E179-V182 PolarHBondContact O-N 2.7Å; E179-E183 WeakPolarHBondContact O-CG 3.35Å; E179-E183 PolarHBondContact O-N 3.03Å; E179-L246 HydrophobicContact CG-CD1 3.99Å; E179-L246 HydrophobicContact CG-CD2 4.11Å; E179-Q250 PolarHBondContact OE1-NE2 3.43Å |
| 180 | S | 86.2 | Confident | 80.8 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64 | -38.7 | 178.5 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | S177 V182 E183 Y184 | S177-S180 PolarHBondContact N-OG 2.93Å; S177-S180 PolarHBondContact O-N 2.95Å; S177-S180 PolarHBondContact O-OG 2.84Å; S177-S180 WeakPolarHBondContact OG-CB 3.46Å; S177-S180 PolarHBondContact OG-N 2.83Å; S177-S180 VanDerWaalsContact OG-N 3.09Å; S177-S180 PolarHBondContact OG-OG 3.39Å; S180-V182 VanDerWaalsContact C-N 3.33Å; S180-V182 PolarHBondContact O-N 2.76Å; S180-E183 PolarHBondContact O-N 3.28Å; S180-E183 VanDerWaalsContact O-N 3.17Å; S180-Y184 WeakPolarHBondContact O-CD2 3.49Å; S180-Y184 PolarHBondContact O-N 3.19Å |
| 181 | T | 88.7 | Confident | 82.3 | Confident | 85 Ų | 85 | 69.8 Ų | 69.8 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | S177 E179 G185 | S177-T181 PolarHBondContact O-N 2.82Å; S177-T181 VanDerWaalsContact O-N 3.1Å; S177-T181 PolarHBondContact O-OG1 2.05Å; E179-T181 VanDerWaalsContact C-N 3.32Å; E179-T181 PolarHBondContact O-N 3.32Å; T181-G185 WeakPolarHBondContact O-CA 3.27Å; T181-G185 PolarHBondContact O-N 2.99Å |
| 182 | V | 91.2 | Very high | 83.5 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | 176.2 | 171 | 0 | 0 | 0 | 0 | 110.7 | A178 E179 S180 T186 Y239 A242 L246 | A178-V182 WeakPolarHBondContact O-CG2 3.27Å; A178-V182 PolarHBondContact O-N 3.3Å; E179-V182 PolarHBondContact O-N 2.7Å; S180-V182 VanDerWaalsContact C-N 3.33Å; S180-V182 PolarHBondContact O-N 2.76Å; V182-T186 HydrophobicContact CG1-CG2 4.26Å; V182-T186 VanDerWaalsContact O-CB 3.3Å; V182-T186 WeakPolarHBondContact O-CB 3.22Å; V182-T186 VanDerWaalsContact O-CG2 3.26Å; V182-T186 WeakPolarHBondContact O-CG2 3.42Å; V182-T186 PolarHBondContact O-N 2.67Å; V182-T186 PolarHBondContact O-OG1 3.11Å; V182-Y239 HydrophobicContact CG1-CD2 3.82Å; V182-Y239 HydrophobicContact CG1-CE2 3.95Å; V182-A242 HydrophobicContact CG1-CB 3.78Å; V182-A242 HydrophobicContact CG2-CB 4.27Å; V182-L246 HydrophobicContact CG2-CD1 3.95Å |
| 183 | E | 90.4 | Very high | 84.7 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -45.6 | -179.1 | -68.8 | -171.5 | 167.2 | 0 | 0 | 113.2 | E179 S180 C187 L188 C189 K192 | E179-E183 WeakPolarHBondContact O-CG 3.35Å; E179-E183 PolarHBondContact O-N 3.03Å; S180-E183 PolarHBondContact O-N 3.28Å; S180-E183 VanDerWaalsContact O-N 3.17Å; E183-C187 PolarHBondContact O-N 2.87Å; E183-L188 HydrophobicContact CG-CD2 4.02Å; E183-L188 PolarHBondContact O-N 3.1Å; E183-C189 PolarHBondContact O-N 3.01Å; E183-K192 IonicContact OE1-NZ 2.81Å; E183-K192 PolarHBondContact OE1-NZ 3.06Å; E183-K192 IonicContact OE2-NZ 3.63Å; E183-K192 PolarHBondContact OE2-NZ 2.85Å |
| 184 | Y | 89.8 | Confident | 85.7 | Confident | 161 Ų | 161 | 53 Ų | 53 | 63% | 0.631 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72.3 | -40.1 | 177.3 | -68.6 | -63.9 | 0 | 0 | 0 | 111.8 | S180 T186 C187 C189 | S180-Y184 WeakPolarHBondContact O-CD2 3.49Å; S180-Y184 PolarHBondContact O-N 3.19Å; Y184-T186 VanDerWaalsContact C-N 3.34Å; Y184-T186 PolarHBondContact O-N 3.19Å; Y184-C187 PolarHBondContact O-N 3.43Å; Y184-C189 HydrophobicContact CD1-CB 3.93Å; Y184-C189 HydrophobicContact CE1-CB 4Å |
| 185 | G | 89.1 | Confident | 86.7 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70.2 | -27.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T181 | T181-G185 WeakPolarHBondContact O-CA 3.27Å; T181-G185 PolarHBondContact O-N 2.99Å |
| 186 | T | 93.5 | Very high | 87.8 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 5.8 | 178.3 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | V182 Y184 L188 C235 L236 C238 Y239 A242 | V182-T186 HydrophobicContact CG1-CG2 4.26Å; V182-T186 VanDerWaalsContact O-CB 3.3Å; V182-T186 WeakPolarHBondContact O-CB 3.22Å; V182-T186 VanDerWaalsContact O-CG2 3.26Å; V182-T186 WeakPolarHBondContact O-CG2 3.42Å; V182-T186 PolarHBondContact O-N 2.67Å; V182-T186 PolarHBondContact O-OG1 3.11Å; Y184-T186 VanDerWaalsContact C-N 3.34Å; Y184-T186 PolarHBondContact O-N 3.19Å; T186-L188 PolarHBondContact O-N 2.99Å; T186-C235 CarbonylContact O-C 3.39Å; T186-L236 WeakPolarHBondContact O-CA 3.46Å; T186-L236 WeakPolarHBondContact O-CD1 3.31Å; T186-L236 PolarHBondContact O-N 3.42Å; T186-C238 HydrophobicContact CG2-CB 4.36Å; T186-Y239 HydrophobicContact CG2-CD2 4.48Å; T186-Y239 WeakPolarHBondContact OG1-CD2 3.2Å; T186-A242 HydrophobicContact CG2-CB 4.24Å |
| 187 | C | 92.9 | Very high | 88.6 | Confident | 26 Ų | 26 | 55 Ų | 55 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 21.5 | -179.2 | -36.3 | 0 | 0 | 0 | 0 | 113.8 | E183 Y184 C189 C190 L233 C235 L236 | E183-C187 PolarHBondContact O-N 2.87Å; Y184-C187 PolarHBondContact O-N 3.43Å; C187-C189 PolarHBondContact O-N 2.97Å; C187-C190 VanDerWaalsContact O-CB 3.32Å; C187-C190 WeakPolarHBondContact O-CB 2.89Å; C187-C190 PolarHBondContact O-N 3.43Å; C187-C190 VanDerWaalsContact O-N 3.08Å; C187-L233 HydrophobicContact CB-CD1 4.16Å; C187-C235 HydrophobicContact CB-CB 4.35Å; C187-C235 WeakPolarHBondContact CB-SG 3.43Å; C187-C235 WeakPolarHBondContact SG-CB 3.16Å; C187-C235 CovalentContact SG-SG 2.07Å; C187-C235 PolarHBondContact SG-SG 3.4Å; C187-L236 HydrophobicContact CB-CD1 3.74Å |
| 188 | L | 91.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -29.9 | 175.1 | -170.5 | 76 | 0 | 0 | 0 | 111.3 | E183 T186 C190 V191 K192 P211 M226 Y239 | E183-L188 HydrophobicContact CG-CD2 4.02Å; E183-L188 PolarHBondContact O-N 3.1Å; T186-L188 PolarHBondContact O-N 2.99Å; L188-C190 PolarHBondContact O-N 3.22Å; L188-V191 HydrophobicContact CD1-CB 4.49Å; L188-V191 HydrophobicContact CD1-CG2 4.42Å; L188-V191 WeakPolarHBondContact O-CB 3.19Å; L188-V191 PolarHBondContact O-N 3.24Å; L188-K192 PolarHBondContact O-N 3.05Å; L188-P211 HydrophobicContact CD1-CG 4.27Å; L188-M226 HydrophobicContact CD1-CE 4.22Å; L188-Y239 HydrophobicContact CB-CD2 4.34Å; L188-Y239 HydrophobicContact CB-CE2 4.49Å; L188-Y239 HydrophobicContact CD1-CD1 4.05Å; L188-Y239 HydrophobicContact CD1-CE1 4.07Å; L188-Y239 HydrophobicContact CD1-CG 4.3Å; L188-Y239 HydrophobicContact CD2-CD2 4.09Å; L188-Y239 HydrophobicContact CD2-CE1 3.94Å; L188-Y239 HydrophobicContact CD2-CE2 3.49Å; L188-Y239 VanDerWaalsContact CD2-CE2 3.49Å; L188-Y239 HydrophobicContact CG-CE2 4.4Å |
| 189 | C | 90.1 | Very high | 87.4 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.7 | -33.8 | 172.6 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | E183 Y184 C187 K192 G193 | E183-C189 PolarHBondContact O-N 3.01Å; Y184-C189 HydrophobicContact CD1-CB 3.93Å; Y184-C189 HydrophobicContact CE1-CB 4Å; C187-C189 PolarHBondContact O-N 2.97Å; C189-K192 PolarHBondContact O-N 3.28Å; C189-G193 PolarHBondContact O-N 3.23Å |
| 190 | C | 90.8 | Very high | 86.2 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | C187 L188 G193 L194 L233 | C187-C190 VanDerWaalsContact O-CB 3.32Å; C187-C190 WeakPolarHBondContact O-CB 2.89Å; C187-C190 PolarHBondContact O-N 3.43Å; C187-C190 VanDerWaalsContact O-N 3.08Å; L188-C190 PolarHBondContact O-N 3.22Å; C190-G193 PolarHBondContact O-N 3.48Å; C190-L194 WeakPolarHBondContact O-CB 3.11Å; C190-L194 PolarHBondContact O-N 3.24Å; C190-L233 HydrophobicContact CB-CD1 3.96Å |
| 191 | V | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | L188 G193 L194 F195 P211 M226 L229 L236 | L188-V191 HydrophobicContact CD1-CB 4.49Å; L188-V191 HydrophobicContact CD1-CG2 4.42Å; L188-V191 WeakPolarHBondContact O-CB 3.19Å; L188-V191 PolarHBondContact O-N 3.24Å; V191-G193 VanDerWaalsContact C-N 3.31Å; V191-G193 PolarHBondContact O-N 3.35Å; V191-L194 PolarHBondContact O-N 3.05Å; V191-F195 HydrophobicContact CG1-CD2 3.95Å; V191-F195 HydrophobicContact CG1-CE2 3.67Å; V191-F195 HydrophobicContact CG1-CG 4.49Å; V191-F195 HydrophobicContact CG1-CZ 3.99Å; V191-F195 WeakPolarHBondContact O-CB 3.1Å; V191-F195 PolarHBondContact O-N 2.99Å; V191-P211 HydrophobicContact CG1-CB 3.84Å; V191-M226 HydrophobicContact CG1-CE 4.07Å; V191-M226 HydrophobicContact CG1-CG 3.96Å; V191-M226 HydrophobicContact CG1-SD 4.32Å; V191-M226 HydrophobicContact CG2-CE 4.27Å; V191-L229 HydrophobicContact CB-CD1 4.39Å; V191-L229 HydrophobicContact CG2-CD1 3.87Å; V191-L236 HydrophobicContact CG2-CD2 3.45Å; V191-L236 VanDerWaalsContact CG2-CD2 3.45Å; V191-L236 HydrophobicContact CG2-CG 4.3Å |
| 192 | K | 89.2 | Confident | 83.5 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 24% | 0.243 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 176.8 | -66.8 | -174.2 | 177.2 | 178.6 | 0 | 111.3 | E183 L188 C189 F195 Y196 P211 | E183-K192 IonicContact OE1-NZ 2.81Å; E183-K192 PolarHBondContact OE1-NZ 3.06Å; E183-K192 IonicContact OE2-NZ 3.63Å; E183-K192 PolarHBondContact OE2-NZ 2.85Å; L188-K192 PolarHBondContact O-N 3.05Å; C189-K192 PolarHBondContact O-N 3.28Å; K192-F195 PolarHBondContact O-N 3.25Å; K192-Y196 WeakPolarHBondContact O-CB 3.38Å; K192-Y196 PolarHBondContact O-N 3.06Å; K192-P211 HydrophobicContact CG-CG 4.31Å |
| 193 | G | 88.7 | Confident | 81.8 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C189 C190 V191 Y196 H197 | C189-G193 PolarHBondContact O-N 3.23Å; C190-G193 PolarHBondContact O-N 3.48Å; V191-G193 VanDerWaalsContact C-N 3.31Å; V191-G193 PolarHBondContact O-N 3.35Å; G193-Y196 PolarHBondContact O-N 3.19Å; G193-H197 PolarHBondContact O-CD2 3.44Å; G193-H197 VanDerWaalsContact O-CD2 3.23Å; G193-H197 PolarHBondContact O-N 3.05Å; G193-H197 VanDerWaalsContact O-N 3.09Å |
| 194 | L | 86.9 | Confident | 80.3 | Confident | 72 Ų | 72 | 75.8 Ų | 75.8 | 38% | 0.377 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 175.6 | -177.1 | 65.6 | 0 | 0 | 0 | 111 | C190 V191 Y196 H197 C198 L229 | C190-L194 WeakPolarHBondContact O-CB 3.11Å; C190-L194 PolarHBondContact O-N 3.24Å; V191-L194 PolarHBondContact O-N 3.05Å; L194-Y196 VanDerWaalsContact C-N 3.31Å; L194-Y196 PolarHBondContact O-N 2.97Å; L194-H197 PolarHBondContact O-N 2.07Å; L194-C198 WeakPolarHBondContact O-CB 3.45Å; L194-C198 PolarHBondContact O-N 2.91Å; L194-C198 PolarHBondContact O-SG 2.61Å; L194-L229 HydrophobicContact CD2-CD1 3.79Å; L194-L229 HydrophobicContact CD2-CD2 4.42Å; L194-L229 HydrophobicContact CD2-CG 4.36Å |
| 195 | F | 86.9 | Confident | 78.9 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 5% | 0.053 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 177.6 | -72.5 | -11.5 | 0 | 0 | 0 | 112.5 | V191 K192 H197 C198 S199 C207 A208 P211 R222 T225 M226 | V191-F195 HydrophobicContact CG1-CD2 3.95Å; V191-F195 HydrophobicContact CG1-CE2 3.67Å; V191-F195 HydrophobicContact CG1-CG 4.49Å; V191-F195 HydrophobicContact CG1-CZ 3.99Å; V191-F195 WeakPolarHBondContact O-CB 3.1Å; V191-F195 PolarHBondContact O-N 2.99Å; K192-F195 PolarHBondContact O-N 3.25Å; F195-H197 VanDerWaalsContact C-N 3.34Å; F195-H197 PolarHBondContact O-N 3.34Å; F195-C198 PolarHBondContact O-N 3.17Å; F195-S199 VanDerWaalsContact O-CB 3.26Å; F195-S199 WeakPolarHBondContact O-CB 3.31Å; F195-S199 PolarHBondContact O-N 3.19Å; F195-S199 PolarHBondContact O-OG 3.17Å; F195-C207 HydrophobicContact CB-CB 4.26Å; F195-C207 HydrophobicContact CD2-CB 4.32Å; F195-C207 WeakPolarHBondContact CD2-O 3.37Å; F195-C207 HydrophobicContact CG-CB 4.35Å; F195-A208 HydrophobicContact CB-CB 4.4Å; F195-P211 HydrophobicContact CD2-CB 3.8Å; F195-P211 HydrophobicContact CE2-CB 3.68Å; F195-R222 HydrophobicContact CZ-CB 4.24Å; F195-R222 HydrophobicContact CZ-CG 4.37Å; F195-T225 WeakPolarHBondContact CE1-OG1 3.49Å; F195-M226 HydrophobicContact CE2-CG 4.5Å; F195-M226 HydrophobicContact CZ-CG 4.1Å |
| 196 | Y | 85.1 | Confident | 77.9 | Confident | 154 Ų | 154 | 73 Ų | 73 | 60% | 0.604 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 173 | 179.4 | -100.2 | 0 | 0 | 0 | 112.1 | K192 G193 L194 S199 A200 | K192-Y196 WeakPolarHBondContact O-CB 3.38Å; K192-Y196 PolarHBondContact O-N 3.06Å; G193-Y196 PolarHBondContact O-N 3.19Å; L194-Y196 VanDerWaalsContact C-N 3.31Å; L194-Y196 PolarHBondContact O-N 2.97Å; Y196-S199 PolarHBondContact O-OG 3.38Å; Y196-A200 PolarHBondContact O-N 2.93Å |
| 197 | H | 83.9 | Confident | 76.5 | Confident | 139 Ų | 139 | 73.3 Ų | 73.3 | 64% | 0.644 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -72.7 | -31.2 | 176.5 | -76.6 | -62.2 | 0 | 0 | 0 | 113.4 | G193 L194 F195 | G193-H197 PolarHBondContact O-CD2 3.44Å; G193-H197 VanDerWaalsContact O-CD2 3.23Å; G193-H197 PolarHBondContact O-N 3.05Å; G193-H197 VanDerWaalsContact O-N 3.09Å; L194-H197 PolarHBondContact O-N 2.07Å; F195-H197 VanDerWaalsContact C-N 3.34Å; F195-H197 PolarHBondContact O-N 3.34Å |
| 198 | C | 74.1 | Confident | 75.6 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 49% | 0.486 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -80.7 | -32.8 | 178.1 | -65.9 | 0 | 0 | 0 | 0 | 113.2 | L194 F195 Q201 | L194-C198 WeakPolarHBondContact O-CB 3.45Å; L194-C198 PolarHBondContact O-N 2.91Å; L194-C198 PolarHBondContact O-SG 2.61Å; F195-C198 PolarHBondContact O-N 3.17Å; C198-Q201 WeakPolarHBondContact O-CB 3.31Å; C198-Q201 PolarHBondContact O-N 3.4Å |
| 199 | S | 69.3 | Low | 74.7 | Confident | 30 Ų | 30 | 77.9 Ų | 77.9 | 21% | 0.21 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -77.9 | -20.3 | 177.6 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | F195 Y196 Q201 D202 D205 | F195-S199 VanDerWaalsContact O-CB 3.26Å; F195-S199 WeakPolarHBondContact O-CB 3.31Å; F195-S199 PolarHBondContact O-N 3.19Å; F195-S199 PolarHBondContact O-OG 3.17Å; Y196-S199 PolarHBondContact O-OG 3.38Å; S199-Q201 PolarHBondContact O-N 2.77Å; S199-Q201 VanDerWaalsContact O-N 3.12Å; S199-D202 CarbonylContact O-C 3.48Å; S199-D202 PolarHBondContact O-N 3.07Å; S199-D205 WeakPolarHBondContact CB-O 3.48Å |
| 200 | A | 61.1 | Low | 74 | Confident | 72 Ų | 72 | 84.3 Ų | 84.3 | 60% | 0.595 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y196 | Y196-A200 PolarHBondContact O-N 2.93Š|
| 201 | Q | 60.5 | Low | 73.2 | Confident | 175 Ų | 175 | 81.9 Ų | 81.9 | 82% | 0.818 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -13 | 176.2 | -156.7 | 88.3 | 44.1 | 0 | 0 | 112.5 | C198 S199 | C198-Q201 WeakPolarHBondContact O-CB 3.31Å; C198-Q201 PolarHBondContact O-N 3.4Å; S199-Q201 PolarHBondContact O-N 2.77Å; S199-Q201 VanDerWaalsContact O-N 3.12Å |
| 202 | D | 58.5 | Low | 72.5 | Confident | 84 Ų | 84 | 84.2 Ų | 84.2 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -142.9 | 89.3 | -171.5 | -161.7 | 11.2 | 0 | 0 | 0 | 108.7 | S199 E204 | S199-D202 CarbonylContact O-C 3.48Å; S199-D202 PolarHBondContact O-N 3.07Å; D202-E204 PolarHBondContact O-N 3.31Å |
| 203 | D | 55.7 | Low | 72 | Confident | 159 Ų | 159 | 82.7 Ų | 82.7 | 85% | 0.85 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 2 | -163.8 | -61 | -51.3 | 0 | 0 | 0 | 115.4 | ||
| 204 | E | 58.9 | Low | 71.1 | Confident | 180 Ų | 180 | 86 Ų | 86 | 84% | 0.841 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -18.9 | -175.8 | -90 | -153.4 | 117 | 0 | 0 | 115.6 | D202 | D202-E204 PolarHBondContact O-N 3.31Š|
| 205 | D | 60.5 | Low | 70.4 | Confident | 50 Ų | 50 | 85.7 Ų | 85.7 | 27% | 0.267 | 46% | 0.455 | S | S | . | . | trans | -121.3 | 109 | -170.2 | -84.1 | -36.6 | 0 | 0 | 0 | 113.5 | S199 C207 H218 | S199-D205 WeakPolarHBondContact CB-O 3.48Å; D205-C207 PolarHBondContact O-N 3.19Å; D205-H218 IonicContact OD2-CD2 3.46Å; D205-H218 PolarHBondContact OD2-CD2 3.1Å; D205-H218 VanDerWaalsContact OD2-CD2 3.23Å; D205-H218 IonicContact OD2-NE2 2.83Å | ||
| 206 | N | 67.8 | Low | 69.1 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | trans | -70.7 | 61.6 | 169 | -171.7 | 5.5 | 0 | 0 | 0 | 111.9 | A208 D209 | N206-A208 VanDerWaalsContact C-N 3.32Å; N206-D209 PolarHBondContact ND2-OD2 2.96Å; N206-D209 WeakPolarHBondContact OD1-CB 3.46Å; N206-D209 PolarHBondContact OD1-OD2 3.33Å | ||
| 207 | C | 64.8 | Low | 68.2 | Low | 15 Ų | 15 | 84.9 Ų | 84.9 | 10% | 0.101 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -27 | -178.8 | -78.2 | 0 | 0 | 0 | 0 | 112.8 | F195 D205 R210 R222 | F195-C207 HydrophobicContact CB-CB 4.26Å; F195-C207 HydrophobicContact CD2-CB 4.32Å; F195-C207 WeakPolarHBondContact CD2-O 3.37Å; F195-C207 HydrophobicContact CG-CB 4.35Å; D205-C207 PolarHBondContact O-N 3.19Å; C207-R210 CarbonylContact O-C 3.33Å; C207-R222 PolarHBondContact SG-NH1 3.08Å |
| 208 | A | 72.9 | Confident | 67.7 | Low | 10 Ų | 10 | 83 Ų | 83 | 8% | 0.083 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -37 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F195 N206 | F195-A208 HydrophobicContact CB-CB 4.4Å; N206-A208 VanDerWaalsContact C-N 3.32Å |
| 209 | D | 73.4 | Confident | 67.9 | Low | 114 Ų | 114 | 80.6 Ų | 80.6 | 61% | 0.61 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -28 | -177.2 | -75 | -15 | 0 | 0 | 0 | 113.2 | N206 | N206-D209 PolarHBondContact ND2-OD2 2.96Å; N206-D209 WeakPolarHBondContact OD1-CB 3.46Å; N206-D209 PolarHBondContact OD1-OD2 3.33Å |
| 210 | R | 74.7 | Confident | 68.5 | Low | 177 Ų | 177 | 84 Ų | 84 | 67% | 0.668 | 48% | 0.481 | S | S | * | . | trans | -131.9 | 61 | -175.3 | -62.4 | -177.5 | 66.5 | 86.8 | -2.8 | 111.8 | C207 C212 S213 R222 | C207-R210 CarbonylContact O-C 3.33Å; R210-C212 PolarHBondContact O-N 3.19Å; R210-S213 PolarHBondContact O-N 3.47Å; R210-S213 PolarHBondContact O-OG 2.69Å; R210-R222 PolarHBondContact O-NH2 3.09Å | ||
| 211 | P | 74 | Confident | 69.5 | Low | 9 Ų | 9 | 83.3 Ų | 83.3 | 6% | 0.058 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -35.1 | -171.3 | 20.6 | -32.8 | 0 | 0 | 0 | 112.9 | L188 V191 K192 F195 S213 R222 M226 | L188-P211 HydrophobicContact CD1-CG 4.27Å; V191-P211 HydrophobicContact CG1-CB 3.84Å; K192-P211 HydrophobicContact CG-CG 4.31Å; F195-P211 HydrophobicContact CD2-CB 3.8Å; F195-P211 HydrophobicContact CE2-CB 3.68Å; P211-S213 PolarHBondContact O-N 3.31Å; P211-R222 PolarHBondContact O-NH2 3.29Å; P211-R222 VanDerWaalsContact O-NH2 3.07Å; P211-M226 HydrophobicContact CB-SD 4.45Å |
| 212 | C | 76.2 | Confident | 70.7 | Confident | 49 Ų | 49 | 75.8 Ų | 75.8 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 15.8 | -179.2 | -48.1 | 0 | 0 | 0 | 0 | 115.9 | R210 | R210-C212 PolarHBondContact O-N 3.19Š|
| 213 | S | 77.5 | Confident | 72.1 | Confident | 24 Ų | 24 | 77.8 Ų | 77.8 | 17% | 0.168 | 44% | 0.441 | C | S | . | . | trans | -77.8 | 135.5 | -179.6 | 62.5 | 0 | 0 | 0 | 0 | 113.1 | R210 P211 S215 R222 | R210-S213 PolarHBondContact O-N 3.47Å; R210-S213 PolarHBondContact O-OG 2.69Å; P211-S213 PolarHBondContact O-N 3.31Å; S213-S215 VanDerWaalsContact C-N 3.26Å; S213-S215 PolarHBondContact O-N 3.31Å; S213-R222 VanDerWaalsContact OG-CZ 3.25Å; S213-R222 PolarHBondContact OG-NH1 3.21Å; S213-R222 PolarHBondContact OG-NH2 2.91Å | ||
| 214 | C | 70.5 | Confident | 73.6 | Confident | 102 Ų | 102 | 73.5 Ų | 73.5 | 69% | 0.689 | 42% | 0.423 | S | S | * | . | trans | -85.8 | 36.5 | 177.8 | -55 | 0 | 0 | 0 | 0 | 113.9 | A216 | C214-A216 PolarHBondContact O-N 3.43Š| ||
| 215 | S | 71.7 | Confident | 75 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | trans | -65 | 132 | 176.9 | -167.2 | 0 | 0 | 0 | 0 | 109.6 | S213 A217 A219 | S213-S215 VanDerWaalsContact C-N 3.26Å; S213-S215 PolarHBondContact O-N 3.31Å; S215-A217 PolarHBondContact O-N 3.28Å; S215-A217 VanDerWaalsContact O-O 3.05Å; S215-A219 WeakPolarHBondContact O-CB 3.3Å; S215-A219 PolarHBondContact O-N 2.72Å | ||
| 216 | A | 60.2 | Low | 76.4 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 82% | 0.818 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -30.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113 | C214 H218 | C214-A216 PolarHBondContact O-N 3.43Å; A216-H218 PolarHBondContact O-N 2.91Å |
| 217 | A | 66.4 | Low | 77.4 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 41% | 0.405 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 119.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S215 A219 | S215-A217 PolarHBondContact O-N 3.28Å; S215-A217 VanDerWaalsContact O-O 3.05Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.99Å; A217-A219 VanDerWaalsContact O-N 3.12Å |
| 218 | H | 72.8 | Confident | 78.6 | Confident | 101 Ų | 101 | 68.3 Ų | 68.3 | 47% | 0.468 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 7.2 | 175.5 | -47.9 | -75.9 | 0 | 0 | 0 | 118 | D205 A216 C220 A221 R222 | D205-H218 IonicContact OD2-CD2 3.46Å; D205-H218 PolarHBondContact OD2-CD2 3.1Å; D205-H218 VanDerWaalsContact OD2-CD2 3.23Å; D205-H218 IonicContact OD2-NE2 2.83Å; A216-H218 PolarHBondContact O-N 2.91Å; H218-C220 VanDerWaalsContact C-N 3.35Å; H218-C220 PolarHBondContact O-N 3.41Å; H218-A221 PolarHBondContact O-N 2.94Å; H218-R222 VanDerWaalsContact O-CG 3.24Å; H218-R222 WeakPolarHBondContact O-CG 3.46Å; H218-R222 PolarHBondContact O-N 3.11Å |
| 219 | A | 78.8 | Confident | 79.4 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 17% | 0.174 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -50 | -50.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S215 A217 A221 R222 W223 | S215-A219 WeakPolarHBondContact O-CB 3.3Å; S215-A219 PolarHBondContact O-N 2.72Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.99Å; A217-A219 VanDerWaalsContact O-N 3.12Å; A219-A221 VanDerWaalsContact C-N 3.35Å; A219-A221 PolarHBondContact O-N 3.42Å; A219-R222 PolarHBondContact O-N 3.03Å; A219-R222 VanDerWaalsContact O-N 3.16Å; A219-W223 PolarHBondContact O-N 3.4Å |
| 220 | C | 81.3 | Confident | 80.2 | Confident | 101 Ų | 101 | 65.2 Ų | 65.2 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.5 | -44.6 | -176.4 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | H218 S224 | H218-C220 VanDerWaalsContact C-N 3.35Å; H218-C220 PolarHBondContact O-N 3.41Å; C220-S224 VanDerWaalsContact O-CB 3.26Å; C220-S224 WeakPolarHBondContact O-CB 3.4Å; C220-S224 PolarHBondContact O-N 3.31Å; C220-S224 PolarHBondContact O-OG 3.03Å |
| 221 | A | 83.5 | Confident | 80.9 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H218 A219 S224 T225 | H218-A221 PolarHBondContact O-N 2.94Å; A219-A221 VanDerWaalsContact C-N 3.35Å; A219-A221 PolarHBondContact O-N 3.42Å; A221-S224 PolarHBondContact O-N 2.92Å; A221-T225 WeakPolarHBondContact O-CB 3.49Å; A221-T225 VanDerWaalsContact O-CG2 3.32Å; A221-T225 WeakPolarHBondContact O-CG2 3.43Å; A221-T225 PolarHBondContact O-N 3.02Å; A221-T225 PolarHBondContact O-OG1 2.72Å |
| 222 | R | 85.2 | Confident | 81.7 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 7% | 0.068 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 178.6 | -66.9 | 171.1 | 62.9 | 160.1 | 4.8 | 112.4 | F195 C207 R210 P211 S213 H218 A219 T225 M226 | F195-R222 HydrophobicContact CZ-CB 4.24Å; F195-R222 HydrophobicContact CZ-CG 4.37Å; C207-R222 PolarHBondContact SG-NH1 3.08Å; R210-R222 PolarHBondContact O-NH2 3.09Å; P211-R222 PolarHBondContact O-NH2 3.29Å; P211-R222 VanDerWaalsContact O-NH2 3.07Å; S213-R222 VanDerWaalsContact OG-CZ 3.25Å; S213-R222 PolarHBondContact OG-NH1 3.21Å; S213-R222 PolarHBondContact OG-NH2 2.91Å; H218-R222 VanDerWaalsContact O-CG 3.24Å; H218-R222 WeakPolarHBondContact O-CG 3.46Å; H218-R222 PolarHBondContact O-N 3.11Å; A219-R222 PolarHBondContact O-N 3.03Å; A219-R222 VanDerWaalsContact O-N 3.16Å; R222-T225 WeakPolarHBondContact CA-OG1 3.14Å; R222-T225 PolarHBondContact O-OG1 3.43Å; R222-M226 WeakPolarHBondContact O-CB 3.45Å; R222-M226 VanDerWaalsContact O-CG 3.32Å; R222-M226 WeakPolarHBondContact O-CG 3.07Å; R222-M226 PolarHBondContact O-N 2.91Å |
| 223 | W | 88.3 | Confident | 82.3 | Confident | 126 Ų | 126 | 67.9 Ų | 67.9 | 48% | 0.477 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 175.7 | -70.3 | 109.1 | 0 | 0 | 0 | 111.9 | A219 M226 A227 | A219-W223 PolarHBondContact O-N 3.4Å; W223-M226 PolarHBondContact O-N 3.36Å; W223-A227 VanDerWaalsContact O-CB 3.32Å; W223-A227 WeakPolarHBondContact O-CB 3.37Å; W223-A227 PolarHBondContact O-N 3.48Å |
| 224 | S | 87.3 | Confident | 82.9 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 48% | 0.476 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 177.2 | -60 | 0 | 0 | 0 | 0 | 112.4 | C220 A221 A227 L228 | C220-S224 VanDerWaalsContact O-CB 3.26Å; C220-S224 WeakPolarHBondContact O-CB 3.4Å; C220-S224 PolarHBondContact O-N 3.31Å; C220-S224 PolarHBondContact O-OG 3.03Å; A221-S224 PolarHBondContact O-N 2.92Å; S224-A227 PolarHBondContact O-N 2.86Å; S224-L228 WeakPolarHBondContact O-CB 3.22Å; S224-L228 PolarHBondContact O-N 3Å |
| 225 | T | 88.3 | Confident | 83.9 | Confident | 52 Ų | 52 | 67.9 Ų | 67.9 | 32% | 0.319 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 175.3 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | F195 A221 R222 A227 L228 L229 | F195-T225 WeakPolarHBondContact CE1-OG1 3.49Å; A221-T225 WeakPolarHBondContact O-CB 3.49Å; A221-T225 VanDerWaalsContact O-CG2 3.32Å; A221-T225 WeakPolarHBondContact O-CG2 3.43Å; A221-T225 PolarHBondContact O-N 3.02Å; A221-T225 PolarHBondContact O-OG1 2.72Å; R222-T225 WeakPolarHBondContact CA-OG1 3.14Å; R222-T225 PolarHBondContact O-OG1 3.43Å; T225-A227 VanDerWaalsContact C-N 3.34Å; T225-A227 PolarHBondContact O-N 3.46Å; T225-L228 PolarHBondContact O-N 2.9Å; T225-L229 WeakPolarHBondContact O-CB 3.46Å; T225-L229 WeakPolarHBondContact O-CG 3.48Å; T225-L229 PolarHBondContact O-N 2.87Å |
| 226 | M | 88.4 | Confident | 84.8 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 172.8 | -72.2 | -165.9 | 80.8 | 0 | 0 | 112.4 | L188 V191 F195 P211 R222 W223 L229 A230 | L188-M226 HydrophobicContact CD1-CE 4.22Å; V191-M226 HydrophobicContact CG1-CE 4.07Å; V191-M226 HydrophobicContact CG1-CG 3.96Å; V191-M226 HydrophobicContact CG1-SD 4.32Å; V191-M226 HydrophobicContact CG2-CE 4.27Å; F195-M226 HydrophobicContact CE2-CG 4.5Å; F195-M226 HydrophobicContact CZ-CG 4.1Å; P211-M226 HydrophobicContact CB-SD 4.45Å; R222-M226 WeakPolarHBondContact O-CB 3.45Å; R222-M226 VanDerWaalsContact O-CG 3.32Å; R222-M226 WeakPolarHBondContact O-CG 3.07Å; R222-M226 PolarHBondContact O-N 2.91Å; W223-M226 PolarHBondContact O-N 3.36Å; M226-L229 PolarHBondContact O-N 3.31Å; M226-A230 WeakPolarHBondContact O-CB 3.48Å; M226-A230 PolarHBondContact O-N 3.07Å |
| 227 | A | 89.1 | Confident | 86.2 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | W223 S224 T225 A230 L231 | W223-A227 VanDerWaalsContact O-CB 3.32Å; W223-A227 WeakPolarHBondContact O-CB 3.37Å; W223-A227 PolarHBondContact O-N 3.48Å; S224-A227 PolarHBondContact O-N 2.86Å; T225-A227 VanDerWaalsContact C-N 3.34Å; T225-A227 PolarHBondContact O-N 3.46Å; A227-A230 PolarHBondContact O-N 3.48Å; A227-L231 PolarHBondContact O-N 3.14Å |
| 228 | L | 91.1 | Very high | 87.5 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 59% | 0.586 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 174.9 | -177.4 | 63.6 | 0 | 0 | 0 | 111.5 | S224 T225 A230 L231 C232 | S224-L228 WeakPolarHBondContact O-CB 3.22Å; S224-L228 PolarHBondContact O-N 3Å; T225-L228 PolarHBondContact O-N 2.9Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.63Å; L228-L231 HydrophobicContact CD1-CD1 4.46Å; L228-L231 WeakPolarHBondContact O-CB 3.33Å; L228-L231 PolarHBondContact O-N 2.98Å; L228-C232 PolarHBondContact O-N 2.93Å |
| 229 | L | 87.8 | Confident | 88.5 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 18% | 0.178 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 175.6 | -75 | 175.4 | 0 | 0 | 0 | 112 | V191 L194 T225 M226 L231 C232 L233 L236 | V191-L229 HydrophobicContact CB-CD1 4.39Å; V191-L229 HydrophobicContact CG2-CD1 3.87Å; L194-L229 HydrophobicContact CD2-CD1 3.79Å; L194-L229 HydrophobicContact CD2-CD2 4.42Å; L194-L229 HydrophobicContact CD2-CG 4.36Å; T225-L229 WeakPolarHBondContact O-CB 3.46Å; T225-L229 WeakPolarHBondContact O-CG 3.48Å; T225-L229 PolarHBondContact O-N 2.87Å; M226-L229 PolarHBondContact O-N 3.31Å; L229-L231 PolarHBondContact O-N 2.72Å; L229-C232 PolarHBondContact O-N 3.39Å; L229-C232 VanDerWaalsContact O-N 3.11Å; L229-L233 WeakPolarHBondContact O-CA 3.26Å; L229-L233 WeakPolarHBondContact O-CB 3.3Å; L229-L233 PolarHBondContact O-N 2.87Å; L229-L236 HydrophobicContact CB-CD2 4.05Å |
| 230 | A | 90.8 | Very high | 89.1 | Confident | 24 Ų | 24 | 65 Ų | 65 | 20% | 0.198 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.3 | -26.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M226 A227 L228 L233 L236 | M226-A230 WeakPolarHBondContact O-CB 3.48Å; M226-A230 PolarHBondContact O-N 3.07Å; A227-A230 PolarHBondContact O-N 3.48Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.63Å; A230-L233 CarbonylContact O-C 3.57Å; A230-L236 HydrophobicContact CB-CB 4.27Å |
| 231 | L | 90.1 | Very high | 89.7 | Confident | 145 Ų | 145 | 63.8 Ų | 63.8 | 76% | 0.759 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -70.6 | -39.8 | 172.3 | -64.5 | 171.1 | 0 | 0 | 0 | 111.8 | A227 L228 L229 | A227-L231 PolarHBondContact O-N 3.14Å; L228-L231 HydrophobicContact CD1-CD1 4.46Å; L228-L231 WeakPolarHBondContact O-CB 3.33Å; L228-L231 PolarHBondContact O-N 2.98Å; L229-L231 PolarHBondContact O-N 2.72Å |
| 232 | C | 89.6 | Confident | 90.1 | Very high | 96 Ų | 96 | 62.5 Ų | 62.5 | 65% | 0.649 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -78.6 | -29.9 | 177.8 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | L228 L229 | L228-C232 PolarHBondContact O-N 2.93Å; L229-C232 PolarHBondContact O-N 3.39Å; L229-C232 VanDerWaalsContact O-N 3.11Å |
| 233 | L | 89.8 | Confident | 90.4 | Very high | 50 Ų | 50 | 66.7 Ų | 66.7 | 26% | 0.262 | 39% | 0.393 | S | S | . | . | trans | -130.4 | 83.3 | -173.1 | -68.1 | 173.2 | 0 | 0 | 0 | 108.8 | C187 C190 L229 A230 C235 L236 | C187-L233 HydrophobicContact CB-CD1 4.16Å; C190-L233 HydrophobicContact CB-CD1 3.96Å; L229-L233 WeakPolarHBondContact O-CA 3.26Å; L229-L233 WeakPolarHBondContact O-CB 3.3Å; L229-L233 PolarHBondContact O-N 2.87Å; A230-L233 CarbonylContact O-C 3.57Å; L233-C235 PolarHBondContact O-N 2.94Å; L233-L236 HydrophobicContact CB-CD1 3.44Å; L233-L236 VanDerWaalsContact CB-CD1 3.44Å; L233-L236 HydrophobicContact CD1-CD1 3.94Å; L233-L236 HydrophobicContact CG-CD1 4.36Å; L233-L236 WeakPolarHBondContact O-CD1 3.4Å; L233-L236 PolarHBondContact O-N 3.16Å | ||
| 234 | P | 89.3 | Confident | 90.6 | Very high | 96 Ų | 96 | 66.5 Ų | 66.5 | 62% | 0.623 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -62.8 | -18.5 | -176.1 | 24.7 | -34.4 | 0 | 0 | 0 | 113.4 | L236 C237 | P234-L236 PolarHBondContact O-N 3.35Å; P234-C237 WeakPolarHBondContact O-CB 3.39Å; P234-C237 PolarHBondContact O-N 3.19Å |
| 235 | C | 91.9 | Very high | 90.9 | Very high | 30 Ų | 30 | 66.7 Ų | 66.7 | 20% | 0.203 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -55.5 | -28.5 | 171.7 | 44.7 | 0 | 0 | 0 | 0 | 113.6 | T186 C187 L233 C237 C238 | T186-C235 CarbonylContact O-C 3.39Å; C187-C235 HydrophobicContact CB-CB 4.35Å; C187-C235 WeakPolarHBondContact CB-SG 3.43Å; C187-C235 WeakPolarHBondContact SG-CB 3.16Å; C187-C235 CovalentContact SG-SG 2.07Å; C187-C235 PolarHBondContact SG-SG 3.4Å; L233-C235 PolarHBondContact O-N 2.94Å; C235-C237 VanDerWaalsContact C-N 3.27Å; C235-C237 PolarHBondContact O-N 3.06Å; C235-C238 WeakPolarHBondContact O-CB 3.05Å; C235-C238 PolarHBondContact O-N 3.33Å |
| 236 | L | 90.3 | Very high | 91 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.073 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -64.3 | -33.3 | 180 | -90 | 76.9 | 0 | 0 | 0 | 112.1 | T186 C187 V191 L229 A230 L233 P234 C238 Y239 P240 | T186-L236 WeakPolarHBondContact O-CA 3.46Å; T186-L236 WeakPolarHBondContact O-CD1 3.31Å; T186-L236 PolarHBondContact O-N 3.42Å; C187-L236 HydrophobicContact CB-CD1 3.74Å; V191-L236 HydrophobicContact CG2-CD2 3.45Å; V191-L236 VanDerWaalsContact CG2-CD2 3.45Å; V191-L236 HydrophobicContact CG2-CG 4.3Å; L229-L236 HydrophobicContact CB-CD2 4.05Å; A230-L236 HydrophobicContact CB-CB 4.27Å; L233-L236 HydrophobicContact CB-CD1 3.44Å; L233-L236 VanDerWaalsContact CB-CD1 3.44Å; L233-L236 HydrophobicContact CD1-CD1 3.94Å; L233-L236 HydrophobicContact CG-CD1 4.36Å; L233-L236 WeakPolarHBondContact O-CD1 3.4Å; L233-L236 PolarHBondContact O-N 3.16Å; P234-L236 PolarHBondContact O-N 3.35Å; L236-C238 PolarHBondContact O-N 3.27Å; L236-Y239 VanDerWaalsContact O-CB 3.23Å; L236-Y239 WeakPolarHBondContact O-CB 3.39Å; L236-Y239 PolarHBondContact O-N 3.12Å; L236-P240 WeakPolarHBondContact O-CD 3.23Å |
| 237 | C | 90.8 | Very high | 91.2 | Very high | 82 Ų | 82 | 66.4 Ų | 66.4 | 55% | 0.554 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -62.8 | -23.8 | 176.6 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | P234 C235 P240 P241 | P234-C237 WeakPolarHBondContact O-CB 3.39Å; P234-C237 PolarHBondContact O-N 3.19Å; C235-C237 VanDerWaalsContact C-N 3.27Å; C235-C237 PolarHBondContact O-N 3.06Å; C237-P240 WeakPolarHBondContact O-CD 3.22Å; C237-P241 WeakPolarHBondContact O-CD 3.09Å |
| 238 | C | 93 | Very high | 91.3 | Very high | 72 Ų | 72 | 68.4 Ų | 68.4 | 49% | 0.486 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -82.8 | -11.4 | 175.3 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | T186 C235 L236 P241 A242 | T186-C238 HydrophobicContact CG2-CB 4.36Å; C235-C238 WeakPolarHBondContact O-CB 3.05Å; C235-C238 PolarHBondContact O-N 3.33Å; L236-C238 PolarHBondContact O-N 3.27Å; C238-P241 VanDerWaalsContact O-CD 3.31Å; C238-P241 WeakPolarHBondContact O-CD 3.33Å; C238-P241 VanDerWaalsContact O-CG 3.31Å; C238-P241 WeakPolarHBondContact O-CG 3.42Å; C238-A242 WeakPolarHBondContact O-CB 3.32Å; C238-A242 PolarHBondContact O-N 3.06Å |
| 239 | Y | 93.2 | Very high | 91.3 | Very high | 26 Ų | 26 | 65.9 Ų | 65.9 | 10% | 0.102 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.8 | -53 | 176 | -180 | -112.1 | 0 | 0 | 0 | 114 | V182 T186 L188 L236 A242 K243 | V182-Y239 HydrophobicContact CG1-CD2 3.82Å; V182-Y239 HydrophobicContact CG1-CE2 3.95Å; T186-Y239 HydrophobicContact CG2-CD2 4.48Å; T186-Y239 WeakPolarHBondContact OG1-CD2 3.2Å; L188-Y239 HydrophobicContact CB-CD2 4.34Å; L188-Y239 HydrophobicContact CB-CE2 4.49Å; L188-Y239 HydrophobicContact CD1-CD1 4.05Å; L188-Y239 HydrophobicContact CD1-CE1 4.07Å; L188-Y239 HydrophobicContact CD1-CG 4.3Å; L188-Y239 HydrophobicContact CD2-CD2 4.09Å; L188-Y239 HydrophobicContact CD2-CE1 3.94Å; L188-Y239 HydrophobicContact CD2-CE2 3.49Å; L188-Y239 VanDerWaalsContact CD2-CE2 3.49Å; L188-Y239 HydrophobicContact CG-CE2 4.4Å; L236-Y239 VanDerWaalsContact O-CB 3.23Å; L236-Y239 WeakPolarHBondContact O-CB 3.39Å; L236-Y239 PolarHBondContact O-N 3.12Å; Y239-A242 PolarHBondContact O-N 2.93Å; Y239-K243 HydrophobicContact CE1-CD 4.14Å; Y239-K243 HydrophobicContact CE2-CB 4.4Å; Y239-K243 VanDerWaalsContact O-CB 3.31Å; Y239-K243 WeakPolarHBondContact O-CB 3.45Å; Y239-K243 PolarHBondContact O-N 3.45Å; Y239-K243 PolarHBondContact OH-NZ 3.13Å; Y239-K243 VanDerWaalsContact OH-NZ 3.1Å |
| 240 | P | 91.4 | Very high | 91.4 | Very high | 81 Ų | 81 | 66.3 Ų | 66.3 | 53% | 0.526 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 179 | 13.3 | -22.3 | 0 | 0 | 0 | 113.9 | L236 C237 K243 M244 | L236-P240 WeakPolarHBondContact O-CD 3.23Å; C237-P240 WeakPolarHBondContact O-CD 3.22Å; P240-K243 PolarHBondContact O-N 2.91Å; P240-M244 WeakPolarHBondContact O-CB 3.44Å; P240-M244 PolarHBondContact O-N 3.13Å |
| 241 | P | 93.7 | Very high | 91.3 | Very high | 76 Ų | 76 | 67.5 Ų | 67.5 | 49% | 0.494 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 177.8 | 25.6 | -33.5 | 0 | 0 | 0 | 112.5 | C237 C238 M244 C245 | C237-P241 WeakPolarHBondContact O-CD 3.09Å; C238-P241 VanDerWaalsContact O-CD 3.31Å; C238-P241 WeakPolarHBondContact O-CD 3.33Å; C238-P241 VanDerWaalsContact O-CG 3.31Å; C238-P241 WeakPolarHBondContact O-CG 3.42Å; P241-M244 WeakPolarHBondContact O-CB 3.49Å; P241-M244 PolarHBondContact O-N 3.27Å; P241-C245 WeakPolarHBondContact O-CB 3.41Å; P241-C245 PolarHBondContact O-N 3.29Å |
| 242 | A | 92.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 66 Ų | 66 | 24% | 0.24 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V182 T186 C238 Y239 M244 C245 L246 | V182-A242 HydrophobicContact CG1-CB 3.78Å; V182-A242 HydrophobicContact CG2-CB 4.27Å; T186-A242 HydrophobicContact CG2-CB 4.24Å; C238-A242 WeakPolarHBondContact O-CB 3.32Å; C238-A242 PolarHBondContact O-N 3.06Å; Y239-A242 PolarHBondContact O-N 2.93Å; A242-M244 VanDerWaalsContact C-N 3.35Å; A242-C245 WeakPolarHBondContact O-CB 3.44Å; A242-C245 PolarHBondContact O-N 2.86Å; A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 PolarHBondContact O-N 2.73Å |
| 243 | K | 91.5 | Very high | 91.3 | Very high | 107 Ų | 107 | 63.8 Ų | 63.8 | 47% | 0.465 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 175 | -167.5 | -173.8 | -168.8 | 151.8 | 0 | 111.8 | Y239 P240 L246 A247 | Y239-K243 HydrophobicContact CE1-CD 4.14Å; Y239-K243 HydrophobicContact CE2-CB 4.4Å; Y239-K243 VanDerWaalsContact O-CB 3.31Å; Y239-K243 WeakPolarHBondContact O-CB 3.45Å; Y239-K243 PolarHBondContact O-N 3.45Å; Y239-K243 PolarHBondContact OH-NZ 3.13Å; Y239-K243 VanDerWaalsContact OH-NZ 3.1Å; P240-K243 PolarHBondContact O-N 2.91Å; K243-L246 PolarHBondContact O-N 3.17Å; K243-A247 WeakPolarHBondContact O-CB 3.36Å; K243-A247 PolarHBondContact O-N 2.9Å |
| 244 | M | 92.7 | Very high | 91.3 | Very high | 122 Ų | 122 | 62.6 Ų | 62.6 | 60% | 0.601 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.2 | -47.1 | 174.3 | -172.2 | 72.5 | 74 | 0 | 0 | 111.1 | P240 P241 A242 L246 A247 L248 | P240-M244 WeakPolarHBondContact O-CB 3.44Å; P240-M244 PolarHBondContact O-N 3.13Å; P241-M244 WeakPolarHBondContact O-CB 3.49Å; P241-M244 PolarHBondContact O-N 3.27Å; A242-M244 VanDerWaalsContact C-N 3.35Å; M244-L246 VanDerWaalsContact C-N 3.34Å; M244-L246 PolarHBondContact O-N 3.44Å; M244-A247 PolarHBondContact O-N 3.29Å; M244-L248 HydrophobicContact CG-CD1 4.32Å; M244-L248 WeakPolarHBondContact O-CG 3.32Å; M244-L248 PolarHBondContact O-N 3.44Å |
| 245 | C | 93.2 | Very high | 91.1 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 48% | 0.48 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | P241 A242 A247 L248 C249 | P241-C245 WeakPolarHBondContact O-CB 3.41Å; P241-C245 PolarHBondContact O-N 3.29Å; A242-C245 WeakPolarHBondContact O-CB 3.44Å; A242-C245 PolarHBondContact O-N 2.86Å; C245-A247 PolarHBondContact O-N 3.43Å; C245-L248 PolarHBondContact O-N 3.35Å; C245-C249 WeakPolarHBondContact O-CB 3.46Å; C245-C249 PolarHBondContact O-N 2.87Å; C245-C249 PolarHBondContact O-SG 3.34Å |
| 246 | L | 91.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 68 Ų | 68 | 13% | 0.126 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 177 | -178.2 | 147.9 | 0 | 0 | 0 | 112.1 | A178 E179 V182 A242 K243 M244 L248 C249 Q250 | A178-L246 VanDerWaalsContact C-CD1 3.42Å; A178-L246 HydrophobicContact CB-CD1 3.7Å; A178-L246 WeakPolarHBondContact O-CD1 3.49Å; E179-L246 HydrophobicContact CG-CD1 3.99Å; E179-L246 HydrophobicContact CG-CD2 4.11Å; V182-L246 HydrophobicContact CG2-CD1 3.95Å; A242-L246 WeakPolarHBondContact O-CB 3.32Å; A242-L246 PolarHBondContact O-N 2.73Å; K243-L246 PolarHBondContact O-N 3.17Å; M244-L246 VanDerWaalsContact C-N 3.34Å; M244-L246 PolarHBondContact O-N 3.44Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L246-L248 PolarHBondContact O-N 3.1Å; L246-C249 PolarHBondContact O-N 3.28Å; L246-Q250 VanDerWaalsContact CD2-CD 3.47Å; L246-Q250 HydrophobicContact CD2-CG 4.18Å; L246-Q250 VanDerWaalsContact CD2-NE2 3.31Å; L246-Q250 WeakPolarHBondContact O-CB 3.32Å; L246-Q250 VanDerWaalsContact O-CG 3.3Å; L246-Q250 WeakPolarHBondContact O-CG 3.39Å; L246-Q250 PolarHBondContact O-N 3.32Å |
| 247 | A | 91.2 | Very high | 90.7 | Very high | 47 Ų | 47 | 70.3 Ų | 70.3 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K243 M244 C245 C251 | K243-A247 WeakPolarHBondContact O-CB 3.36Å; K243-A247 PolarHBondContact O-N 2.9Å; M244-A247 PolarHBondContact O-N 3.29Å; C245-A247 PolarHBondContact O-N 3.43Å; A247-C251 VanDerWaalsContact O-CB 3.27Å; A247-C251 WeakPolarHBondContact O-CB 3.42Å; A247-C251 PolarHBondContact O-N 2.69Å |
| 248 | L | 92.3 | Very high | 90.4 | Very high | 99 Ų | 99 | 68.1 Ų | 68.1 | 52% | 0.518 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 174.4 | -70.4 | 173.2 | 0 | 0 | 0 | 111.6 | M244 C245 L246 C251 I252 | M244-L248 HydrophobicContact CG-CD1 4.32Å; M244-L248 WeakPolarHBondContact O-CG 3.32Å; M244-L248 PolarHBondContact O-N 3.44Å; C245-L248 PolarHBondContact O-N 3.35Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L246-L248 PolarHBondContact O-N 3.1Å; L248-C251 WeakPolarHBondContact O-CB 3.49Å; L248-C251 PolarHBondContact O-N 3.04Å; L248-I252 VanDerWaalsContact O-CG1 3.3Å; L248-I252 WeakPolarHBondContact O-CG1 3.49Å; L248-I252 PolarHBondContact O-N 3.25Å |
| 249 | C | 90.4 | Very high | 89.9 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 40% | 0.399 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 175.2 | -70.6 | 0 | 0 | 0 | 0 | 111.6 | C245 L246 C251 I252 H253 | C245-C249 WeakPolarHBondContact O-CB 3.46Å; C245-C249 PolarHBondContact O-N 2.87Å; C245-C249 PolarHBondContact O-SG 3.34Å; L246-C249 PolarHBondContact O-N 3.28Å; C249-C251 VanDerWaalsContact C-N 3.35Å; C249-I252 PolarHBondContact O-N 2.97Å; C249-H253 WeakPolarHBondContact O-CB 3.22Å; C249-H253 PolarHBondContact O-N 3.23Å |
| 250 | Q | 90.8 | Very high | 89.7 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 20% | 0.201 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 172.6 | -77.1 | 179.2 | -12.2 | 0 | 0 | 111.1 | L164 E179 L246 H253 D254 | L164-Q250 HydrophobicContact CD1-CB 4.4Å; L164-Q250 HydrophobicContact CD1-CG 3.32Å; L164-Q250 HydrophobicContact CG-CB 4.45Å; L164-Q250 HydrophobicContact CG-CG 3.6Å; E179-Q250 PolarHBondContact OE1-NE2 3.43Å; L246-Q250 VanDerWaalsContact CD2-CD 3.47Å; L246-Q250 HydrophobicContact CD2-CG 4.18Å; L246-Q250 VanDerWaalsContact CD2-NE2 3.31Å; L246-Q250 WeakPolarHBondContact O-CB 3.32Å; L246-Q250 VanDerWaalsContact O-CG 3.3Å; L246-Q250 WeakPolarHBondContact O-CG 3.39Å; L246-Q250 PolarHBondContact O-N 3.32Å; Q250-H253 PolarHBondContact O-N 3.31Å; Q250-D254 VanDerWaalsContact O-CB 3.27Å; Q250-D254 WeakPolarHBondContact O-CB 3.44Å; Q250-D254 PolarHBondContact O-N 3.29Å |
| 251 | C | 88.9 | Confident | 89.5 | Confident | 49 Ų | 49 | 63 Ų | 63 | 33% | 0.331 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | A247 L248 C249 H253 D254 R255 | A247-C251 VanDerWaalsContact O-CB 3.27Å; A247-C251 WeakPolarHBondContact O-CB 3.42Å; A247-C251 PolarHBondContact O-N 2.69Å; L248-C251 WeakPolarHBondContact O-CB 3.49Å; L248-C251 PolarHBondContact O-N 3.04Å; C249-C251 VanDerWaalsContact C-N 3.35Å; C251-H253 PolarHBondContact O-N 3.13Å; C251-D254 WeakPolarHBondContact O-CB 3.26Å; C251-D254 PolarHBondContact O-N 3.21Å; C251-R255 WeakPolarHBondContact O-CG 3.32Å; C251-R255 PolarHBondContact O-N 3.23Å |
| 252 | I | 89.6 | Confident | 89.1 | Confident | 113 Ų | 113 | 65.1 Ų | 65.1 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 179.1 | -66.8 | 165.8 | 0 | 0 | 0 | 110.6 | L248 C249 R255 A256 | L248-I252 VanDerWaalsContact O-CG1 3.3Å; L248-I252 WeakPolarHBondContact O-CG1 3.49Å; L248-I252 PolarHBondContact O-N 3.25Å; C249-I252 PolarHBondContact O-N 2.97Å; I252-R255 CarbonylContact O-C 3.59Å; I252-R255 WeakPolarHBondContact O-CA 3.2Å; I252-R255 WeakPolarHBondContact O-CB 3.48Å; I252-R255 PolarHBondContact O-N 2.82Å; I252-R255 VanDerWaalsContact O-N 3.08Å; I252-A256 WeakPolarHBondContact O-CB 3.47Å; I252-A256 PolarHBondContact O-N 3.47Å |
| 253 | H | 89.8 | Confident | 88.9 | Confident | 50 Ų | 50 | 65 Ų | 65 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -51.2 | 176.1 | -177.4 | 77.5 | 0 | 0 | 0 | 110.8 | L164 C249 Q250 C251 R255 A256 T257 | L164-H253 HydrophobicContact CD2-CB 3.79Å; C249-H253 WeakPolarHBondContact O-CB 3.22Å; C249-H253 PolarHBondContact O-N 3.23Å; Q250-H253 PolarHBondContact O-N 3.31Å; C251-H253 PolarHBondContact O-N 3.13Å; H253-R255 PolarHBondContact O-N 3.23Å; H253-A256 PolarHBondContact O-N 2.89Å; H253-T257 WeakPolarHBondContact CE1-CG2 3.24Å; H253-T257 PolarHBondContact NE2-OG1 3.38Å; H253-T257 PolarHBondContact O-N 3.38Å; H253-T257 PolarHBondContact O-OG1 2.78Å |
| 254 | D | 89.3 | Confident | 88.5 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 13% | 0.128 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.8 | -39.4 | 172.8 | 178.1 | 69.7 | 0 | 0 | 0 | 111.4 | P161 R162 Q250 C251 A256 R258 R262 | P161-D254 VanDerWaalsContact CA-OD1 3.22Å; P161-D254 WeakPolarHBondContact CA-OD1 3.33Å; R162-D254 PolarHBondContact N-OD1 3.48Å; Q250-D254 VanDerWaalsContact O-CB 3.27Å; Q250-D254 WeakPolarHBondContact O-CB 3.44Å; Q250-D254 PolarHBondContact O-N 3.29Å; C251-D254 WeakPolarHBondContact O-CB 3.26Å; C251-D254 PolarHBondContact O-N 3.21Å; D254-A256 VanDerWaalsContact C-N 3.33Å; D254-A256 PolarHBondContact O-N 3.31Å; D254-R258 WeakPolarHBondContact O-CB 3.49Å; D254-R258 PolarHBondContact O-N 3.09Å; D254-R258 WeakPolarHBondContact OD1-CD 3.41Å; D254-R262 IonicContact OD2-NH2 3.65Å |
| 255 | R | 85.9 | Confident | 87.6 | Confident | 158 Ų | 158 | 66.3 Ų | 66.3 | 60% | 0.596 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.5 | -35.9 | 176.3 | -52.8 | -142.5 | 174.3 | 164.1 | -7 | 113.6 | C251 I252 H253 | C251-R255 WeakPolarHBondContact O-CG 3.32Å; C251-R255 PolarHBondContact O-N 3.23Å; I252-R255 CarbonylContact O-C 3.59Å; I252-R255 WeakPolarHBondContact O-CA 3.2Å; I252-R255 WeakPolarHBondContact O-CB 3.48Å; I252-R255 PolarHBondContact O-N 2.82Å; I252-R255 VanDerWaalsContact O-N 3.08Å; H253-R255 PolarHBondContact O-N 3.23Å |
| 256 | A | 87 | Confident | 86.9 | Confident | 81 Ų | 81 | 64.3 Ų | 64.3 | 67% | 0.669 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -83.6 | -39.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I252 H253 D254 | I252-A256 WeakPolarHBondContact O-CB 3.47Å; I252-A256 PolarHBondContact O-N 3.47Å; H253-A256 PolarHBondContact O-N 2.89Å; D254-A256 VanDerWaalsContact C-N 3.33Å; D254-A256 PolarHBondContact O-N 3.31Å |
| 257 | T | 85.6 | Confident | 86.4 | Confident | 63 Ų | 63 | 69 Ų | 69 | 39% | 0.387 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -100.1 | -15.1 | -169.9 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | H253 P259 | H253-T257 WeakPolarHBondContact CE1-CG2 3.24Å; H253-T257 PolarHBondContact NE2-OG1 3.38Å; H253-T257 PolarHBondContact O-N 3.38Å; H253-T257 PolarHBondContact O-OG1 2.78Å; T257-P259 VanDerWaalsContact O-CD 3.31Å; T257-P259 WeakPolarHBondContact O-CD 3.45Å |
| 258 | R | 85.9 | Confident | 86 | Confident | 37 Ų | 37 | 70 Ų | 70 | 14% | 0.14 | 38% | 0.383 | C | S | . | . | trans | -72.2 | 119.5 | -178.6 | -170.3 | 173.9 | 177.7 | -87.4 | 20.4 | 111.3 | C158 C159 D254 C261 | C158-R258 WeakPolarHBondContact O-CG 3.2Å; C159-R258 VanDerWaalsContact C-CZ 3.48Å; C159-R258 VanDerWaalsContact C-NE 3.28Å; C159-R258 PolarHBondContact O-NE 2.94Å; C159-R258 PolarHBondContact O-NH2 2.93Å; D254-R258 WeakPolarHBondContact O-CB 3.49Å; D254-R258 PolarHBondContact O-N 3.09Å; D254-R258 WeakPolarHBondContact OD1-CD 3.41Å; R258-C261 PolarHBondContact NH1-O 2.81Å | ||
| 259 | P | 82.8 | Confident | 85.4 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | trans | -78.2 | -24.4 | -176.5 | 30.5 | -34.1 | 0 | 0 | 0 | 113 | R152 C158 T257 | R152-P259 WeakPolarHBondContact CD-O 3.44Å; C158-P259 HydrophobicContact CB-CG 4.34Å; T257-P259 VanDerWaalsContact O-CD 3.31Å; T257-P259 WeakPolarHBondContact O-CD 3.45Å | ||
| 260 | G | 87.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -76.1 | 172.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | R152 C153 C158 | R152-G260 WeakPolarHBondContact CD-O 3.16Å; C153-G260 CarbonylContact O-C 3.42Å; C153-G260 WeakPolarHBondContact O-CA 3.43Å; C158-G260 WeakPolarHBondContact O-CA 3.27Å; C158-G260 PolarHBondContact O-N 3.21Å |
| 261 | C | 88.2 | Confident | 83.8 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | trans | -73.9 | 152.7 | 178.6 | -157.6 | 0 | 0 | 0 | 0 | 112.6 | C147 C150 R152 C153 K154 R258 C263 | C147-C261 HydrophobicContact CB-CB 3.77Å; C147-C261 WeakPolarHBondContact CB-SG 3.26Å; C147-C261 PolarHBondContact SG-SG 3.13Å; C150-C261 WeakPolarHBondContact CB-SG 3.41Å; C150-C261 WeakPolarHBondContact SG-CB 2.97Å; C150-C261 CovalentContact SG-SG 2.07Å; C150-C261 PolarHBondContact SG-SG 3.21Å; R152-C261 HydrophobicContact CB-CB 3.95Å; C153-C261 PolarHBondContact O-N 3.12Å; K154-C261 HydrophobicContact CG-CB 4.06Å; R258-C261 PolarHBondContact NH1-O 2.81Å; C261-C263 PolarHBondContact SG-SG 2.98Å | ||
| 262 | R | 85.6 | Confident | 82.6 | Confident | 120 Ų | 120 | 79.3 Ų | 79.3 | 45% | 0.453 | 42% | 0.416 | S | S | . | . | trans | -126.5 | 10.9 | -179.7 | -54.8 | -176.8 | 73.5 | 160.1 | 18.3 | 113.1 | D254 S264 | D254-R262 IonicContact OD2-NH2 3.65Å; R262-S264 PolarHBondContact O-N 3.11Å | ||
| 263 | C | 86.6 | Confident | 81.3 | Confident | 26 Ų | 26 | 78.5 Ų | 78.5 | 18% | 0.176 | 41% | 0.412 | C | S | . | . | trans | -72.8 | 121.5 | -177 | -68.6 | 0 | 0 | 0 | 0 | 110.3 | R149 C261 T266 | R149-C263 VanDerWaalsContact CZ-CB 3.48Å; R149-C263 VanDerWaalsContact CZ-SG 3.51Å; R149-C263 PolarHBondContact NE-SG 3.13Å; R149-C263 VanDerWaalsContact NH2-CA 3.28Å; R149-C263 PolarHBondContact NH2-SG 3.42Å; C261-C263 PolarHBondContact SG-SG 2.98Å; C263-T266 HydrophobicContact CB-CG2 3.48Å; C263-T266 VanDerWaalsContact CB-CG2 3.48Å | ||
| 264 | S | 84.3 | Confident | 79.3 | Confident | 95 Ų | 95 | 80.5 Ų | 80.5 | 66% | 0.664 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -67.7 | 133.3 | 166.5 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | R149 R262 | R149-S264 PolarHBondContact NH1-O 3.32Å; R262-S264 PolarHBondContact O-N 3.11Å |
| 265 | N | 73.1 | Confident | 77.3 | Confident | 163 Ų | 163 | 84.6 Ų | 84.6 | 87% | 0.872 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 45.2 | 72.6 | 175.4 | -97.3 | -72.1 | 0 | 0 | 0 | 114.6 | ||
| 266 | T | 79.3 | Confident | 75.3 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 17% | 0.172 | 47% | 0.473 | C | S | . | . | trans | -129.2 | 144.8 | 168.8 | 71.9 | 0 | 0 | 0 | 0 | 110.2 | C147 R149 K154 C263 | C147-T266 PolarHBondContact SG-OG1 2.94Å; R149-T266 HydrophobicContact CB-CG2 3.99Å; R149-T266 VanDerWaalsContact NH1-CG2 3.34Å; K154-T266 WeakPolarHBondContact CE-OG1 3.41Å; K154-T266 PolarHBondContact NZ-O 2.93Å; K154-T266 PolarHBondContact NZ-OG1 3.12Å; C263-T266 HydrophobicContact CB-CG2 3.48Å; C263-T266 VanDerWaalsContact CB-CG2 3.48Å | ||
| 267 | N | 80.3 | Confident | 72.9 | Confident | 124 Ų | 124 | 85.3 Ų | 85.3 | 66% | 0.663 | 48% | 0.481 | S | S | * | . | trans | -58.2 | 151.5 | 168.7 | -63.9 | -49 | 0 | 0 | 0 | 110.7 | E148 | E148-N267 WeakPolarHBondContact OE2-CB 3.48Š| ||
| 268 | T | 83 | Confident | 70.9 | Confident | 66 Ų | 66 | 88.5 Ų | 88.5 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.5 | 176.6 | 45.4 | 0 | 0 | 0 | 0 | 108.6 | I146 K154 | I146-T268 WeakPolarHBondContact O-CA 3.3Å; K154-T268 HydrophobicContact CB-CG2 4.31Å; K154-T268 HydrophobicContact CD-CG2 3.39Å; K154-T268 HydrophobicContact CG-CG2 3.95Å |
| 269 | V | 80.1 | Confident | 69.1 | Low | 49 Ų | 49 | 93.2 Ų | 93.2 | 30% | 0.297 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132.6 | 169.9 | 177.6 | 0 | 0 | 0 | 0 | 108 | L144 I146 E148 R271 | L144-V269 VanDerWaalsContact O-O 3.08Å; I146-V269 PolarHBondContact N-O 3.45Å; I146-V269 PolarHBondContact O-N 3.25Å; E148-V269 VanDerWaalsContact CD-CG2 3.5Å; E148-V269 HydrophobicContact CG-CB 4.33Å; E148-V269 HydrophobicContact CG-CG2 3.36Å; E148-V269 WeakPolarHBondContact OE1-CG2 2.95Å; V269-R271 HydrophobicContact CG1-CG 4.06Å; V269-R271 PolarHBondContact O-N 3.13Å |
| 270 | C | 76.6 | Confident | 67 | Low | 83 Ų | 83 | 95.3 Ų | 95.3 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.7 | 104.3 | 168.5 | -65.7 | 0 | 0 | 0 | 0 | 108.4 | L144 F145 | L144-C270 WeakPolarHBondContact O-CA 3.41Å; F145-C270 VanDerWaalsContact CE1-SG 3.57Å |
| 271 | R | 70.1 | Confident | 64.8 | Low | 168 Ų | 168 | 98.1 Ų | 98.1 | 63% | 0.634 | 58% | 0.582 | S | S | * | * | trans | -111 | 123.8 | 168.4 | -79.4 | -172.3 | 171.7 | 151.7 | -0.1 | 108.4 | L144 I146 V269 I273 | L144-R271 VanDerWaalsContact CA-O 3.27Å; L144-R271 WeakPolarHBondContact CA-O 3.42Å; L144-R271 WeakPolarHBondContact CB-O 3.26Å; L144-R271 WeakPolarHBondContact CG-O 3.3Å; L144-R271 PolarHBondContact O-N 3.07Å; I146-R271 HydrophobicContact CG1-CB 4.41Å; V269-R271 HydrophobicContact CG1-CG 4.06Å; V269-R271 PolarHBondContact O-N 3.13Å; R271-I273 PolarHBondContact O-N 2.92Å | ||
| 272 | K | 63.6 | Low | 62.3 | Low | 147 Ų | 147 | 106.1 Ų | 106.1 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | trans | -67.1 | 101.7 | 167.8 | -168 | 169.8 | -174.8 | 176.4 | 0 | 107.4 | L144 S274 | L144-K272 HydrophobicContact CD2-CB 3.98Å; L144-K272 HydrophobicContact CD2-CG 4.35Å; K272-S274 VanDerWaalsContact C-N 3.33Å; K272-S274 PolarHBondContact O-N 3.46Å | ||
| 273 | I | 62.3 | Low | 60.4 | Low | 96 Ų | 96 | 105.9 Ų | 105.9 | 49% | 0.492 | 63% | 0.632 | S | S | . | * | trans | -74.9 | 94.2 | 173.6 | -49.6 | 176 | 0 | 0 | 0 | 105.8 | H143 I146 R271 A275 | H143-I273 HydrophobicContact CB-CD1 4Å; H143-I273 WeakPolarHBondContact O-CD1 3.47Å; I146-I273 HydrophobicContact CD1-CD1 3.7Å; I146-I273 HydrophobicContact CD1-CG1 4.45Å; I146-I273 HydrophobicContact CG1-CD1 4.27Å; R271-I273 PolarHBondContact O-N 2.92Å; I273-A275 PolarHBondContact O-N 3.45Å; I273-A275 VanDerWaalsContact O-N 3.16Å | ||
| 274 | S | 48 | Very low | 58.1 | Low | 92 Ų | 92 | 110.7 Ų | 110.7 | 64% | 0.643 | 66% | 0.663 | S | S | * | * | trans | -61.3 | 118 | 164.6 | -63 | 0 | 0 | 0 | 0 | 107 | K272 S276 | K272-S274 VanDerWaalsContact C-N 3.33Å; K272-S274 PolarHBondContact O-N 3.46Å; S274-S276 VanDerWaalsContact C-N 3.28Å; S274-S276 PolarHBondContact O-N 3.24Å | ||
| 275 | A | 48.1 | Very low | 55.9 | Low | 109 Ų | 109 | 114.3 Ų | 114.3 | 90% | 0.901 | 67% | 0.674 | S | S | * | * | trans | -64.1 | 86.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I273 | I273-A275 PolarHBondContact O-N 3.45Å; I273-A275 VanDerWaalsContact O-N 3.16Å | ||
| 276 | S | 43.8 | Very low | 54.2 | Low | 102 Ų | 102 | 116.1 Ų | 116.1 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | trans | -137.4 | 110.7 | 163.8 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | S274 | S274-S276 VanDerWaalsContact C-N 3.28Å; S274-S276 PolarHBondContact O-N 3.24Å | ||
| 277 | N | 37 | Very low | 52.3 | Low | 153 Ų | 153 | 119.7 Ų | 119.7 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | 75.6 | 109.2 | 164.3 | -108.5 | -32 | 0 | 0 | 0 | 119.9 | N279 | N277-N279 PolarHBondContact O-N 2.84Š| ||
| 278 | P | 43.1 | Very low | 50.2 | Low | 130 Ų | 130 | 121.6 Ų | 121.6 | 84% | 0.844 | 70% | 0.697 | S | S | * | * | trans | -87.1 | 74.7 | 166.9 | 35.8 | -29.5 | 0 | 0 | 0 | 110 | ||||
| 279 | N | 46.9 | Very low | 48.2 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -154.3 | 100.7 | 157.9 | -157.7 | -6.1 | 0 | 0 | 0 | 111.5 | N277 | N277-N279 PolarHBondContact O-N 2.84Š| ||
| 280 | A | 40 | Very low | 46.4 | Very low | 108 Ų | 108 | 130 Ų | 130 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | trans | -147.5 | 61.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 281 | G | 40.8 | Very low | 44.6 | Very low | 58 Ų | 58 | 135.3 Ų | 135.3 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | trans | -111.1 | 63.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 282 | H | 36.2 | Very low | 43.2 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | trans | -144.2 | 123.6 | 162.1 | -92.1 | -78.5 | 0 | 0 | 0 | 110.3 | ||||
| 283 | P | 45 | Very low | 41.9 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -75 | 140.6 | 168 | 30 | -30.4 | 0 | 0 | 0 | 109.8 | L285 | P283-L285 PolarHBondContact O-N 3.48Š| ||
| 284 | P | 38.4 | Very low | 40.8 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -75.2 | 111.3 | 173.5 | 29.4 | -29 | 0 | 0 | 0 | 109.1 | R286 | P284-R286 PolarHBondContact O-N 3.21Å; P284-R286 VanDerWaalsContact O-N 3.15Å | ||
| 285 | L | 37.4 | Very low | 40.5 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -61.2 | 110.3 | 160.6 | -100 | 158.5 | 0 | 0 | 0 | 107.7 | P283 S287 | P283-L285 PolarHBondContact O-N 3.48Å; L285-S287 PolarHBondContact O-N 3.26Å; L285-S287 VanDerWaalsContact O-N 3.11Å | ||
| 286 | R | 38 | Very low | 40.1 | Very low | 202 Ų | 202 | 146.1 Ų | 146.1 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -74.5 | 96.3 | 178.7 | -165.5 | -169.5 | -175.2 | -173.8 | 4.6 | 109.1 | P284 K288 | P284-R286 PolarHBondContact O-N 3.21Å; P284-R286 VanDerWaalsContact O-N 3.15Å; R286-K288 PolarHBondContact O-N 3.43Å | ||
| 287 | S | 38.5 | Very low | 39.9 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -61.3 | 123 | 162.7 | -61 | 0 | 0 | 0 | 0 | 109.2 | L285 | L285-S287 PolarHBondContact O-N 3.26Å; L285-S287 VanDerWaalsContact O-N 3.11Å | ||
| 288 | K | 37.6 | Very low | 40 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 71% | 0.709 | 82% | 0.817 | S | S | * | * | trans | -111.2 | 92.1 | 161.5 | -80.5 | -176.8 | 173 | -178.6 | 0 | 106.6 | R286 | R286-K288 PolarHBondContact O-N 3.43Š| ||
| 289 | D | 41.1 | Very low | 39.8 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -81.3 | 113.7 | 160.9 | -84.8 | -63.4 | 0 | 0 | 0 | 108.9 | ||||
| 290 | L | 41.4 | Very low | 39.4 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | 33.2 | 104.3 | 127.2 | -157.1 | 73.5 | 0 | 0 | 0 | 118 | |||||
| 291 | E | 39.4 | Very low | 39.3 | Very low | 196 Ų | 196 | 153.3 Ų | 153.3 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -114.2 | 117.9 | 151.2 | -165.5 | 170.2 | 88.5 | 0 | 0 | 108.9 | ||||
| 292 | K | 39.8 | Very low | 39.2 | Very low | 175 Ų | 175 | 160.6 Ų | 160.6 | 76% | 0.761 | 83% | 0.833 | S | S | * | * | trans | -85.5 | 130.3 | 168.2 | -87.8 | 173.6 | 170.8 | 175.6 | 0 | 108.8 | ||||
| 293 | S | 37.1 | Very low | 39.5 | Very low | 119 Ų | 119 | 159.3 Ų | 159.3 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | -177.6 | 102.1 | 142.7 | -84.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 294 | L | 39.9 | Very low | 39 | Very low | 251 Ų | 251 | 163.4 Ų | 163.4 | 100% | 1.314 | 84% | 0.843 | S | S | * | * | -178.6 | 0 | 103.2 | -146.6 | 92.3 | 0 | 0 | 0 | 109.1 |
Retrieved 294 of 294 residues in 95.6 ms
(Link to these results)