| 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 | 33.9 | Very low | 30.9 | Very low | 239 Ų | 239 | 165.4 Ų | 165.4 | 100% | 1.177 | 81% | 0.809 | S | S | * | * | 0 | 95.9 | 0 | -59.9 | -176 | -81.2 | 0 | 0 | 105 | |||||
| 2 | A | 25.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 163.1 Ų | 163.1 | 65% | 0.653 | 81% | 0.812 | S | S | * | * | 65.2 | 128.1 | 66.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 3 | Y | 29.3 | Very low | 30.7 | Very low | 212 Ų | 212 | 163 Ų | 163 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | cis | -142.2 | 136.6 | 19.2 | -79.2 | -89.8 | 0 | 0 | 0 | 109.2 | ||||
| 4 | S | 29.7 | Very low | 31 | Very low | 85 Ų | 85 | 160.6 Ų | 160.6 | 59% | 0.594 | 81% | 0.81 | S | S | * | * | 51.3 | 128.5 | 86 | 82.6 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 5 | W | 29 | Very low | 30.8 | Very low | 262 Ų | 262 | 160.8 Ų | 160.8 | 99% | 0.992 | 81% | 0.807 | S | S | * | * | trans | -136.4 | 142.9 | 142.9 | -83 | 89.7 | 0 | 0 | 0 | 109.1 | ||||
| 6 | Q | 29.8 | Very low | 30.7 | Very low | 167 Ų | 167 | 161.8 Ų | 161.8 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | -98.6 | 147.9 | -173.3 | -76.1 | 174.3 | -21.4 | 0 | 0 | 109.9 | ||||
| 7 | T | 30.5 | Very low | 30.5 | Very low | 119 Ų | 119 | 161.5 Ų | 161.5 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | 64.7 | 116.8 | 61.9 | -43.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 8 | E | 28.8 | Very low | 30.3 | Very low | 166 Ų | 166 | 156.4 Ų | 156.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | cis | -164.1 | -156.2 | 5.7 | -129.1 | -168 | -86 | 0 | 0 | 107.9 | ||||
| 9 | P | 48.2 | Very low | 30.1 | Very low | 94 Ų | 94 | 153.8 Ų | 153.8 | 61% | 0.61 | 80% | 0.802 | S | S | * | * | cis | -134.7 | 173.9 | -16.2 | 36.8 | -17.7 | 0 | 0 | 0 | 116 | ||||
| 10 | N | 27 | Very low | 29.9 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | -164.2 | 123.1 | 122.9 | -109.8 | -27.3 | 0 | 0 | 0 | 113.1 | |||||
| 11 | R | 28 | Very low | 29.9 | Very low | 233 Ų | 233 | 153 Ų | 153 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -82.5 | 150.1 | 169.7 | -104.1 | 176.4 | 161.9 | -177.8 | -6.4 | 110.2 | ||||
| 12 | T | 29.2 | Very low | 29.6 | Very low | 138 Ų | 138 | 149 Ų | 149 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | -179.2 | 114.3 | 117.5 | -68.5 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 13 | E | 29.6 | Very low | 29.6 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -80.9 | 169.1 | 164.7 | -63.7 | 176.5 | 143.5 | 0 | 0 | 109.8 | ||||
| 14 | P | 34.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | -130.8 | 160.3 | 98.3 | 35.1 | -26.2 | 0 | 0 | 0 | 115.3 | |||||
| 15 | Q | 28.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -70.8 | -175.9 | 178.3 | -85.6 | -173.8 | -98.7 | 0 | 0 | 114.7 | ||||
| 16 | E | 28.6 | Very low | 29.2 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 97.1 | 124.7 | 163.7 | -62.7 | -178.3 | 177.1 | 0 | 0 | 114.3 | ||||
| 17 | D | 27.6 | Very low | 29.2 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | cis | -160 | 173.2 | -4 | -144.7 | -10.2 | 0 | 0 | 0 | 112 | ||||
| 18 | G | 27.4 | Very low | 29 | Very low | 71 Ų | 71 | 148.5 Ų | 148.5 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 98.2 | 72.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 19 | S | 26 | Very low | 29.1 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -91.2 | 103.2 | 169.4 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | T21 | S19-T21 PolarHBondContact O-N 3.47Š| ||
| 20 | D | 26.3 | Very low | 28.1 | Very low | 171 Ų | 171 | 153.2 Ų | 153.2 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | trans | -92 | 91.3 | 164.1 | -97.4 | -29.4 | 0 | 0 | 0 | 110.8 | Q22 | D20-Q22 PolarHBondContact O-N 3.2Š| ||
| 21 | T | 29.3 | Very low | 28.3 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -84.7 | 86 | 173.9 | -55.5 | 0 | 0 | 0 | 0 | 109.4 | S19 Q23 | S19-T21 PolarHBondContact O-N 3.47Å; T21-Q23 PolarHBondContact O-N 2.96Å | ||
| 22 | Q | 28.9 | Very low | 28.4 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -74.5 | 94.7 | 176.8 | -154.6 | 170.5 | 38 | 0 | 0 | 110.7 | D20 F24 | D20-Q22 PolarHBondContact O-N 3.2Å; Q22-F24 HydrophobicContact CB-CE2 4.11Å; Q22-F24 HydrophobicContact CG-CE2 3.95Å; Q22-F24 HydrophobicContact CG-CZ 4.09Å; Q22-F24 WeakPolarHBondContact O-CD2 3.36Å; Q22-F24 PolarHBondContact O-N 3.04Å | ||
| 23 | Q | 25.6 | Very low | 29.2 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | -76.5 | 87.7 | -174 | -164.8 | 172.5 | 25 | 0 | 0 | 111.1 | T21 H25 | T21-Q23 PolarHBondContact O-N 2.96Å; Q23-H25 PolarHBondContact O-N 3.06Å | ||
| 24 | F | 26.1 | Very low | 29.5 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | trans | -70.6 | 102.5 | 174.9 | -73.4 | -79 | 0 | 0 | 0 | 111.3 | Q22 H26 | Q22-F24 HydrophobicContact CB-CE2 4.11Å; Q22-F24 HydrophobicContact CG-CE2 3.95Å; Q22-F24 HydrophobicContact CG-CZ 4.09Å; Q22-F24 WeakPolarHBondContact O-CD2 3.36Å; Q22-F24 PolarHBondContact O-N 3.04Å; F24-H26 PolarHBondContact O-N 3.03Å | ||
| 25 | H | 26.2 | Very low | 29.7 | Very low | 158 Ų | 158 | 147 Ų | 147 | 73% | 0.731 | 79% | 0.79 | S | S | * | * | trans | -65.8 | 95.3 | 170.5 | -74 | -82.6 | 0 | 0 | 0 | 110.7 | Q23 T27 | Q23-H25 PolarHBondContact O-N 3.06Å; H25-T27 PolarHBondContact O-N 3.49Å | ||
| 26 | H | 28.1 | Very low | 30.2 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -69.6 | 98.3 | 165.2 | -73.6 | -77.8 | 0 | 0 | 0 | 109.9 | F24 N28 | F24-H26 PolarHBondContact O-N 3.03Å; H26-N28 PolarHBondContact O-N 2.97Å; H26-N28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | T | 28.1 | Very low | 30.6 | Very low | 122 Ų | 122 | 146 Ų | 146 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -62.6 | 106.1 | 164 | 31.3 | 0 | 0 | 0 | 0 | 109.2 | H25 Q29 | H25-T27 PolarHBondContact O-N 3.49Å; T27-Q29 VanDerWaalsContact C-N 3.3Å; T27-Q29 PolarHBondContact O-N 3.42Å | ||
| 28 | N | 27.9 | Very low | 31.4 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -63 | 89.3 | 169.3 | -97.4 | -40.3 | 0 | 0 | 0 | 109.7 | H26 H30 | H26-N28 PolarHBondContact O-N 2.97Å; H26-N28 VanDerWaalsContact O-N 3.08Å; N28-H30 PolarHBondContact O-N 3.04Å | ||
| 29 | Q | 29.5 | Very low | 32.1 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -72.7 | 113.1 | 161.1 | -75.3 | -170.6 | -7.3 | 0 | 0 | 108.3 | T27 L31 | T27-Q29 VanDerWaalsContact C-N 3.3Å; T27-Q29 PolarHBondContact O-N 3.42Å; Q29-L31 PolarHBondContact O-N 2.91Å | ||
| 30 | H | 28.1 | Very low | 33.2 | Very low | 192 Ų | 192 | 146 Ų | 146 | 89% | 0.889 | 77% | 0.768 | S | S | * | * | trans | -63.3 | 97.7 | 173.8 | -119.5 | -86.7 | 0 | 0 | 0 | 109.3 | N28 S32 | N28-H30 PolarHBondContact O-N 3.04Å; H30-S32 PolarHBondContact O-N 3.27Å | ||
| 31 | L | 31.2 | Very low | 34.8 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 117.9 | 172.1 | -82.2 | 159.5 | 0 | 0 | 0 | 109.1 | Q29 | Q29-L31 PolarHBondContact O-N 2.91Š|
| 32 | S | 30.4 | Very low | 35.8 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 143.7 | 173.2 | 46 | 0 | 0 | 0 | 0 | 110.9 | H30 | H30-S32 PolarHBondContact O-N 3.27Š|
| 33 | S | 45.8 | Very low | 37 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -67.3 | 158.6 | -169.7 | 52.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 34 | S | 35 | Very low | 38.6 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | trans | 96.7 | 18.4 | 155.9 | 97.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 35 | Q | 38.6 | Very low | 40.3 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | trans | -98.5 | 104.5 | 172.7 | -146.2 | 164.1 | 4.5 | 0 | 0 | 112.1 | R37 | Q35-R37 PolarHBondContact O-N 3.32Š| ||
| 36 | V | 38.9 | Very low | 42 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | trans | -75.7 | 114.2 | 172.4 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | L38 | V36-L38 HydrophobicContact CG1-CD2 4.29Å; V36-L38 PolarHBondContact O-N 3.28Å | ||
| 37 | R | 36.6 | Very low | 43.6 | Very low | 200 Ų | 200 | 120.4 Ų | 120.4 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | trans | -68 | 120.8 | 174.9 | -74.9 | -169.5 | 175.3 | -162.7 | -5.9 | 110.5 | Q35 D41 | Q35-R37 PolarHBondContact O-N 3.32Å; R37-D41 VanDerWaalsContact CB-OD2 3.31Å; R37-D41 WeakPolarHBondContact CB-OD2 3.11Å | ||
| 38 | L | 45 | Very low | 45 | Very low | 134 Ų | 134 | 118.7 Ų | 118.7 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | trans | -97.2 | 4.7 | -178.8 | -66 | 178.7 | 0 | 0 | 0 | 113 | V36 F40 | V36-L38 HydrophobicContact CG1-CD2 4.29Å; V36-L38 PolarHBondContact O-N 3.28Å; L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 HydrophobicContact CB-CD2 4.13Å; L38-F40 WeakPolarHBondContact O-CD2 3.03Å; L38-F40 PolarHBondContact O-N 3.34Å | ||
| 39 | G | 43 | Very low | 46 | Very low | 66 Ų | 66 | 117 Ų | 117 | 68% | 0.68 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 85.8 | -5.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | D41 | G39-D41 VanDerWaalsContact C-N 3.35Å; G39-D41 PolarHBondContact N-OD2 3.17Å |
| 40 | F | 49.2 | Very low | 46.8 | Very low | 137 Ų | 137 | 115.6 Ų | 115.6 | 60% | 0.601 | 61% | 0.613 | S | S | * | * | trans | -91.3 | 3.6 | 171.6 | -57.4 | -76.5 | 0 | 0 | 0 | 112.9 | L38 Q42 L43 V44 | L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 HydrophobicContact CB-CD2 4.13Å; L38-F40 WeakPolarHBondContact O-CD2 3.03Å; L38-F40 PolarHBondContact O-N 3.34Å; F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 3.08Å; F40-L43 HydrophobicContact CD1-CD2 4.44Å; F40-L43 WeakPolarHBondContact O-CB 3.22Å; F40-L43 PolarHBondContact O-N 2.94Å; F40-V44 WeakPolarHBondContact O-CG2 3.38Å; F40-V44 PolarHBondContact O-N 3.08Å | ||
| 41 | D | 59.2 | Low | 47.2 | Very low | 50 Ų | 50 | 112.5 Ų | 112.5 | 27% | 0.267 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.9 | -39.2 | -169.4 | -49.7 | -76.7 | 0 | 0 | 0 | 112 | R37 G39 V44 E45 | R37-D41 VanDerWaalsContact CB-OD2 3.31Å; R37-D41 WeakPolarHBondContact CB-OD2 3.11Å; G39-D41 VanDerWaalsContact C-N 3.35Å; G39-D41 PolarHBondContact N-OD2 3.17Å; D41-V44 PolarHBondContact O-N 3.3Å; D41-E45 PolarHBondContact O-N 2.85Å |
| 42 | Q | 50.1 | Low | 47.6 | Very low | 163 Ų | 163 | 110.3 Ų | 110.3 | 76% | 0.762 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.7 | -38.3 | 174.8 | -175.2 | 171.5 | -2 | 0 | 0 | 112.7 | F40 E45 E46 | F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 3.08Å; Q42-E45 PolarHBondContact O-N 3.08Å; Q42-E46 WeakPolarHBondContact O-CB 3.46Å; Q42-E46 PolarHBondContact O-N 2.88Å |
| 43 | L | 54.8 | Low | 47.7 | Very low | 42 Ų | 42 | 112.4 Ų | 112.4 | 22% | 0.22 | 61% | 0.605 | C | S | . | * | H | α-helix | trans | -66.8 | -40.3 | 175 | -177.6 | 68.9 | 0 | 0 | 0 | 111 | F40 E46 I47 I255 Y259 | F40-L43 HydrophobicContact CD1-CD2 4.44Å; F40-L43 WeakPolarHBondContact O-CB 3.22Å; F40-L43 PolarHBondContact O-N 2.94Å; L43-E46 PolarHBondContact O-N 3.48Å; L43-I47 HydrophobicContact CD1-CD1 3.96Å; L43-I47 HydrophobicContact CG-CD1 3.78Å; L43-I47 WeakPolarHBondContact O-CB 3.48Å; L43-I47 WeakPolarHBondContact O-CD1 3.39Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.06Å; L43-I255 HydrophobicContact CD2-CD1 4.5Å; L43-Y259 HydrophobicContact CD1-CE2 3.54Å; L43-Y259 VanDerWaalsContact CD1-OH 3.28Å; L43-Y259 WeakPolarHBondContact CD1-OH 3.24Å |
| 44 | V | 59.6 | Low | 46.9 | Very low | 72 Ų | 72 | 113 Ų | 113 | 44% | 0.436 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.6 | -42.8 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | F40 D41 N48 | F40-V44 WeakPolarHBondContact O-CG2 3.38Å; F40-V44 PolarHBondContact O-N 3.08Å; D41-V44 PolarHBondContact O-N 3.3Å; V44-N48 WeakPolarHBondContact O-CB 3.41Å; V44-N48 PolarHBondContact O-N 3.19Å; V44-N48 VanDerWaalsContact O-N 3.12Å; V44-N48 PolarHBondContact O-ND2 3.32Å; V44-N48 PolarHBondContact O-OD1 3.11Å |
| 45 | E | 61.4 | Low | 46.8 | Very low | 116 Ų | 116 | 116 Ų | 116 | 54% | 0.542 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.6 | -44.1 | 174.4 | -73.5 | -173 | -175.1 | 0 | 0 | 112.1 | D41 Q42 I47 N48 N49 | D41-E45 PolarHBondContact O-N 2.85Å; Q42-E45 PolarHBondContact O-N 3.08Å; E45-I47 PolarHBondContact O-N 3.16Å; E45-N48 PolarHBondContact O-N 2.81Å; E45-N49 VanDerWaalsContact O-CB 3.26Å; E45-N49 WeakPolarHBondContact O-CB 3.18Å; E45-N49 PolarHBondContact O-N 2.68Å; E45-N49 PolarHBondContact O-ND2 3.45Å |
| 46 | E | 61 | Low | 46.3 | Very low | 72 Ų | 72 | 111.9 Ų | 111.9 | 34% | 0.336 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.4 | -44.4 | 177.8 | -176.3 | 165.8 | -160.8 | 0 | 0 | 112.5 | Q42 L43 N48 N49 K50 | Q42-E46 WeakPolarHBondContact O-CB 3.46Å; Q42-E46 PolarHBondContact O-N 2.88Å; L43-E46 PolarHBondContact O-N 3.48Å; E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 3.14Å; E46-N49 PolarHBondContact O-N 3.43Å; E46-K50 HydrophobicContact CG-CD 3.95Å; E46-K50 HydrophobicContact CG-CG 4.49Å; E46-K50 PolarHBondContact O-N 2.98Å; E46-K50 WeakPolarHBondContact OE1-CE 3.39Å; E46-K50 IonicContact OE1-NZ 2.68Å; E46-K50 PolarHBondContact OE1-NZ 3.44Å |
| 47 | I | 62.4 | Low | 46 | Very low | 22 Ų | 22 | 115.5 Ų | 115.5 | 11% | 0.113 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -70.4 | -26.1 | 178.7 | -66.6 | 164.5 | 0 | 0 | 0 | 112.7 | L43 E45 K254 I255 | L43-I47 HydrophobicContact CD1-CD1 3.96Å; L43-I47 HydrophobicContact CG-CD1 3.78Å; L43-I47 WeakPolarHBondContact O-CB 3.48Å; L43-I47 WeakPolarHBondContact O-CD1 3.39Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.06Å; E45-I47 PolarHBondContact O-N 3.16Å; I47-K254 HydrophobicContact CG2-CB 4.19Å; I47-K254 HydrophobicContact CG2-CD 4.06Å; I47-I255 HydrophobicContact CD1-CD1 4.1Å; I47-I255 HydrophobicContact CD1-CG1 3.37Å |
| 48 | N | 57.1 | Low | 45.8 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 46% | 0.46 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -77.6 | -30.9 | 173.5 | -68.7 | -23.9 | 0 | 0 | 0 | 111.9 | V44 E45 E46 K251 | V44-N48 WeakPolarHBondContact O-CB 3.41Å; V44-N48 PolarHBondContact O-N 3.19Å; V44-N48 VanDerWaalsContact O-N 3.12Å; V44-N48 PolarHBondContact O-ND2 3.32Å; V44-N48 PolarHBondContact O-OD1 3.11Å; E45-N48 PolarHBondContact O-N 2.81Å; E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 3.14Å; N48-K251 PolarHBondContact OD1-NZ 3.4Å |
| 49 | N | 49.1 | Very low | 45.1 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 66% | 0.663 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -103.4 | -22.2 | -167.1 | -63.8 | -18.4 | 0 | 0 | 0 | 114.4 | E45 E46 | E45-N49 VanDerWaalsContact O-CB 3.26Å; E45-N49 WeakPolarHBondContact O-CB 3.18Å; E45-N49 PolarHBondContact O-N 2.68Å; E45-N49 PolarHBondContact O-ND2 3.45Å; E46-N49 PolarHBondContact O-N 3.43Å |
| 50 | K | 45.2 | Very low | 44.5 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | trans | -88.6 | 120.1 | 178.1 | -84.2 | -178.1 | 176.4 | 171.4 | 0 | 113.5 | E46 | E46-K50 HydrophobicContact CG-CD 3.95Å; E46-K50 HydrophobicContact CG-CG 4.49Å; E46-K50 PolarHBondContact O-N 2.98Å; E46-K50 WeakPolarHBondContact OE1-CE 3.39Å; E46-K50 IonicContact OE1-NZ 2.68Å; E46-K50 PolarHBondContact OE1-NZ 3.44Å | ||
| 51 | T | 38.1 | Very low | 43.5 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 78% | 0.779 | 64% | 0.644 | S | S | * | * | trans | -98.4 | 132.2 | 148.2 | -42.5 | 0 | 0 | 0 | 0 | 106 | L53 | T51-L53 PolarHBondContact O-N 2.94Š| ||
| 52 | P | 39.4 | Very low | 42.1 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | trans | -75.6 | 113.5 | -168.6 | 28.2 | -34.1 | 0 | 0 | 0 | 112.1 | ||||
| 53 | L | 32.2 | Very low | 41 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | trans | -93.9 | 126.7 | 148.4 | -100.1 | 79.8 | 0 | 0 | 0 | 107.8 | T51 | T51-L53 PolarHBondContact O-N 2.94Š| ||
| 54 | S | 29.1 | Very low | 39.7 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | trans | -82.1 | 113 | 164.9 | -64.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 55 | E | 31.7 | Very low | 38.1 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -82.1 | 122.2 | 161.7 | -72.6 | -177.2 | 151.9 | 0 | 0 | 108.7 | ||||
| 56 | S | 29.6 | Very low | 36.7 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | -99.8 | 96.3 | 174.9 | 152.4 | 0 | 0 | 0 | 0 | 107.1 | K58 | S56-K58 PolarHBondContact O-N 3.4Å; S56-K58 VanDerWaalsContact O-N 3.17Å | ||
| 57 | E | 31.6 | Very low | 34.9 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | trans | -61.1 | 118.7 | 169.8 | -69.1 | -177.1 | 145.4 | 0 | 0 | 109.3 | ||||
| 58 | K | 32.5 | Very low | 33.3 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | trans | -104.2 | 111.7 | 165 | -74.5 | -174.8 | 176.3 | -177.1 | 0 | 106.9 | S56 | S56-K58 PolarHBondContact O-N 3.4Å; S56-K58 VanDerWaalsContact O-N 3.17Å | ||
| 59 | E | 30.2 | Very low | 32.1 | Very low | 199 Ų | 199 | 149 Ų | 149 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 127.7 | 170.7 | -155.5 | 166.6 | -158.4 | 0 | 0 | 108.2 | ||
| 60 | E | 31.6 | Very low | 31 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 124.3 | -178.3 | -73.4 | -173.4 | 138.1 | 0 | 0 | 111.1 | T62 | E60-T62 PolarHBondContact O-N 3.25Š|
| 61 | D | 28.3 | Very low | 30.2 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 133.2 | 172.7 | -82.3 | -54.4 | 0 | 0 | 0 | 112 | ||
| 62 | T | 27.8 | Very low | 29.5 | Very low | 134 Ų | 134 | 149.6 Ų | 149.6 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -130.6 | 115.6 | 158.8 | -59.2 | 0 | 0 | 0 | 0 | 110.3 | E60 | E60-T62 PolarHBondContact O-N 3.25Š| ||
| 63 | Y | 28.4 | Very low | 28.9 | Very low | 202 Ų | 202 | 149.6 Ų | 149.6 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -55.2 | 146 | -175.5 | -62.1 | -94.8 | 0 | 0 | 0 | 115.3 | ||||
| 64 | F | 26.6 | Very low | 28.6 | Very low | 205 Ų | 205 | 151.8 Ų | 151.8 | 90% | 0.899 | 82% | 0.821 | S | S | * | * | trans | -154.1 | 134.9 | 131.8 | -98 | -70 | 0 | 0 | 0 | 112 | ||||
| 65 | V | 26.5 | Very low | 28.4 | Very low | 129 Ų | 129 | 156.8 Ų | 156.8 | 78% | 0.782 | 82% | 0.821 | S | S | * | * | trans | -135.7 | 126.6 | 173.3 | 168.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 66 | P | 31.3 | Very low | 28.4 | Very low | 104 Ų | 104 | 153.7 Ų | 153.7 | 68% | 0.675 | 82% | 0.817 | S | S | * | * | -145.4 | 171 | 109.1 | 29.4 | -9.1 | 0 | 0 | 0 | 112.4 | |||||
| 67 | D | 24.3 | Very low | 28.3 | Very low | 156 Ų | 156 | 152.9 Ų | 152.9 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | cis | -153.6 | 159.2 | -7.6 | -115.2 | -35.7 | 0 | 0 | 0 | 108 | ||||
| 68 | A | 28.4 | Very low | 28.1 | Very low | 88 Ų | 88 | 151.3 Ų | 151.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -91.7 | 165.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 69 | P | 32.9 | Very low | 27.7 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | -143.1 | 130.1 | 111.9 | 34 | -19.1 | 0 | 0 | 0 | 116.6 | |||||
| 70 | N | 25.9 | Very low | 27.5 | Very low | 156 Ų | 156 | 152.2 Ų | 152.2 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | 23.6 | 120.5 | 143 | -66.4 | -54.8 | 0 | 0 | 0 | 121.3 | ||||
| 71 | L | 26.8 | Very low | 27.3 | Very low | 180 Ų | 180 | 148 Ų | 148 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | -155.3 | 130.8 | 116.3 | -154.5 | 64.3 | 0 | 0 | 0 | 110.3 | |||||
| 72 | G | 24 | Very low | 27.2 | Very low | 67 Ų | 67 | 148.8 Ų | 148.8 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -113.7 | 170.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 73 | S | 28.1 | Very low | 27.5 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -174.5 | 147.3 | 139.7 | 46.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 74 | K | 25.7 | Very low | 27.4 | Very low | 205 Ų | 205 | 147.9 Ų | 147.9 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | 63 | 103.5 | 157.7 | -80.9 | -179.9 | 170.1 | 178.6 | 0 | 122 | ||||
| 75 | W | 24.5 | Very low | 27.4 | Very low | 228 Ų | 228 | 148.3 Ų | 148.3 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -59.6 | 163 | 140.5 | -73.5 | 105.9 | 0 | 0 | 0 | 112 | ||||
| 76 | P | 31.7 | Very low | 27.5 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | cis | -126.5 | 152.9 | 41.5 | 38.6 | -22.2 | 0 | 0 | 0 | 115.3 | ||||
| 77 | S | 26.4 | Very low | 27.3 | Very low | 80 Ų | 80 | 149.5 Ų | 149.5 | 56% | 0.559 | 78% | 0.777 | S | S | * | * | cis | 67.3 | 85.2 | 46.2 | -179.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 78 | I | 27.9 | Very low | 27.5 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -135.2 | 124.7 | 147.6 | -58.2 | -177.7 | 0 | 0 | 0 | 108 | ||||
| 79 | Y | 25.3 | Very low | 27.5 | Very low | 208 Ų | 208 | 155.6 Ų | 155.6 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -81.3 | 137.8 | 166.1 | -97.5 | -102.2 | 0 | 0 | 0 | 109.1 | ||||
| 80 | E | 25.2 | Very low | 27.3 | Very low | 197 Ų | 197 | 155.5 Ų | 155.5 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -148.8 | 153.3 | 147.1 | -137.4 | 165.9 | -152.7 | 0 | 0 | 111.2 | ||||
| 81 | T | 26.5 | Very low | 27.5 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 57% | 0.571 | 78% | 0.782 | S | S | * | * | trans | -131.8 | 120.6 | -144.3 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 82 | H | 26.5 | Very low | 27.5 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | 67.9 | 167.5 | 161 | -64.9 | -20.6 | 0 | 0 | 0 | 117.3 | ||||
| 83 | P | 33.8 | Very low | 27.8 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | cis | -124.8 | 164 | 0.3 | 23.9 | -1.1 | 0 | 0 | 0 | 116.9 | Y85 | P83-Y85 PolarHBondContact O-N 2.92Š| ||
| 84 | R | 27.9 | Very low | 28 | Very low | 214 Ų | 214 | 155.8 Ų | 155.8 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 113.9 | 167.9 | 179.9 | -170 | -65 | 166.1 | -3.8 | 110.1 | F86 | R84-F86 HydrophobicContact CG-CD2 4.46Å; R84-F86 HydrophobicContact CG-CE2 4.38Å | ||
| 85 | Y | 25.1 | Very low | 28 | Very low | 214 Ų | 214 | 153.7 Ų | 153.7 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -87.7 | 116.6 | 169.5 | -106.8 | -90.1 | 0 | 0 | 0 | 110.6 | P83 | P83-Y85 PolarHBondContact O-N 2.92Š| ||
| 86 | F | 29.1 | Very low | 28.3 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 77% | 0.772 | 77% | 0.773 | S | S | * | * | trans | -83.2 | 123.7 | 155.1 | -83.2 | -93.2 | 0 | 0 | 0 | 107.6 | R84 | R84-F86 HydrophobicContact CG-CD2 4.46Å; R84-F86 HydrophobicContact CG-CE2 4.38Å | ||
| 87 | S | 27.1 | Very low | 28.2 | Very low | 82 Ų | 82 | 148 Ų | 148 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | trans | -99.5 | 100 | 167.4 | 57 | 0 | 0 | 0 | 0 | 109.4 | F89 | S87-F89 VanDerWaalsContact CB-CE2 3.5Å; S87-F89 PolarHBondContact O-N 3.26Å; S87-F89 WeakPolarHBondContact OG-CE2 3.47Å | ||
| 88 | E | 27.7 | Very low | 28.4 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -60.5 | 118.7 | 157.4 | -72.8 | 178 | 125.3 | 0 | 0 | 107.7 | ||||
| 89 | F | 28.7 | Very low | 28.4 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -107.7 | 107.5 | 166.6 | -81.8 | -68.8 | 0 | 0 | 0 | 109.3 | S87 | S87-F89 VanDerWaalsContact CB-CE2 3.5Å; S87-F89 PolarHBondContact O-N 3.26Å; S87-F89 WeakPolarHBondContact OG-CE2 3.47Å | ||
| 90 | T | 28.5 | Very low | 28.5 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -53.5 | 135 | 173.8 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | Q92 | T90-Q92 PolarHBondContact O-N 3.49Š| ||
| 91 | S | 31.7 | Very low | 28.8 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -67.1 | 103.5 | 169.2 | 57 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 92 | Q | 25.7 | Very low | 28.9 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -123.6 | 119.7 | 158.4 | -72.3 | -168.3 | -2.8 | 0 | 0 | 108.9 | T90 | T90-Q92 PolarHBondContact O-N 3.49Š| ||
| 93 | S | 29.6 | Very low | 29.1 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 128.9 | 172.4 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 94 | P | 33.3 | Very low | 28.9 | Very low | 125 Ų | 125 | 154.5 Ų | 154.5 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 133.1 | 162.3 | 2.8 | 13.4 | 0 | 0 | 0 | 109.3 | S96 | P94-S96 PolarHBondContact O-N 3Š|
| 95 | D | 26.2 | Very low | 28.9 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56 | 126.1 | 176.2 | -73.6 | -61.8 | 0 | 0 | 0 | 112.2 | S97 | D95-S97 PolarHBondContact O-N 3.4Å; D95-S97 VanDerWaalsContact O-N 3.16Å |
| 96 | S | 30.1 | Very low | 29.4 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -71.5 | 106.5 | 172.8 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | P94 Q98 | P94-S96 PolarHBondContact O-N 3Å; S96-Q98 PolarHBondContact O-N 2.98Å | ||
| 97 | S | 29.1 | Very low | 29.6 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -65.7 | 115.4 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 111.1 | D95 L99 | D95-S97 PolarHBondContact O-N 3.4Å; D95-S97 VanDerWaalsContact O-N 3.16Å; S97-L99 PolarHBondContact O-N 3.02Å | ||
| 98 | Q | 30.6 | Very low | 29.9 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -78.9 | 90.8 | -168.6 | -165.5 | 178.8 | 37.3 | 0 | 0 | 112 | S96 R100 | S96-Q98 PolarHBondContact O-N 2.98Å; Q98-R100 PolarHBondContact O-N 3.48Å | ||
| 99 | L | 28.8 | Very low | 30.1 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -66.5 | 99.4 | 169.4 | -103.7 | 145.3 | 0 | 0 | 0 | 110.2 | S97 F101 | S97-L99 PolarHBondContact O-N 3.02Å; L99-F101 HydrophobicContact CD2-CE2 4.03Å; L99-F101 PolarHBondContact O-N 2.88Å | ||
| 100 | R | 27.2 | Very low | 30.2 | Very low | 222 Ų | 222 | 140.2 Ų | 140.2 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -72 | 111.7 | 176.6 | -60.7 | -167.7 | -163.5 | -179.3 | 7.3 | 110.7 | Q98 | Q98-R100 PolarHBondContact O-N 3.48Š| ||
| 101 | F | 32.3 | Very low | 30.5 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -107.2 | 153.3 | 155.7 | -80.9 | -81.3 | 0 | 0 | 0 | 110.9 | L99 | L99-F101 HydrophobicContact CD2-CE2 4.03Å; L99-F101 PolarHBondContact O-N 2.88Å | ||
| 102 | G | 27.8 | Very low | 30.6 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -65 | 138.5 | -160.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L104 | G102-L104 PolarHBondContact O-N 3.24Å; G102-L104 VanDerWaalsContact O-N 3.15Å | ||
| 103 | K | 31.4 | Very low | 31.1 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -71.6 | 101.5 | 175.4 | -174.9 | 177.2 | -175.9 | 175.4 | 0 | 110.7 | ||||
| 104 | L | 29.8 | Very low | 31.4 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -114.8 | 88.7 | 164.3 | -76.1 | 171.7 | 0 | 0 | 0 | 109.1 | G102 | G102-L104 PolarHBondContact O-N 3.24Å; G102-L104 VanDerWaalsContact O-N 3.15Å | ||
| 105 | S | 28.1 | Very low | 31.3 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -77.2 | 120.2 | 172.5 | -59.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 106 | A | 34.9 | Very low | 31.6 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -128.6 | 134.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 107 | I | 32.4 | Very low | 31.7 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -84.3 | 137.5 | -173.1 | -66.5 | 158.3 | 0 | 0 | 0 | 110 | ||||
| 108 | G | 33.4 | Very low | 31.8 | Very low | 70 Ų | 70 | 142.2 Ų | 142.2 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -126 | 148.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 109 | F | 32.6 | Very low | 31.9 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -94.1 | 150.8 | -176 | -67 | -81.7 | 0 | 0 | 0 | 113.3 | ||||
| 110 | N | 30.6 | Very low | 31.9 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | trans | -92.1 | 133.4 | 177.6 | -165.4 | -9.2 | 0 | 0 | 0 | 110 | A112 | N110-A112 PolarHBondContact O-N 3.42Š| ||
| 111 | P | 34 | Very low | 32.2 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -0.3 | -172.6 | -21.2 | 33.9 | 0 | 0 | 0 | 116.5 | V113 | P111-V113 PolarHBondContact O-N 3.48Å; P111-V113 VanDerWaalsContact O-N 3.14Å |
| 112 | A | 34.8 | Very low | 32.1 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 10.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N110 | N110-A112 PolarHBondContact O-N 3.42Š|
| 113 | V | 37.1 | Very low | 32.6 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -112.8 | 68 | 178.9 | -166 | 0 | 0 | 0 | 0 | 110.6 | P111 | P111-V113 PolarHBondContact O-N 3.48Å; P111-V113 VanDerWaalsContact O-N 3.14Å | ||
| 114 | L | 34.5 | Very low | 32.4 | Very low | 147 Ų | 147 | 133 Ų | 133 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -122.8 | 129.5 | 158.5 | -72.5 | 175.6 | 0 | 0 | 0 | 107.7 | T116 | L114-T116 PolarHBondContact O-N 3.37Š|
| 115 | P | 31.3 | Very low | 32.7 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -65.7 | 128.1 | -179.6 | 26.5 | -33.1 | 0 | 0 | 0 | 110.2 | H117 | P115-H117 PolarHBondContact O-N 3.11Š| ||
| 116 | T | 33.6 | Very low | 32.7 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -59.7 | 111.5 | 172.3 | -46.4 | 0 | 0 | 0 | 0 | 109 | L114 Q118 | L114-T116 PolarHBondContact O-N 3.37Å; T116-Q118 PolarHBondContact O-N 3.26Å | ||
| 117 | H | 32.5 | Very low | 32.3 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -61.4 | 109.9 | 171.9 | -97.9 | -89.7 | 0 | 0 | 0 | 109.1 | P115 L119 | P115-H117 PolarHBondContact O-N 3.11Å; H117-L119 PolarHBondContact O-N 2.64Å | ||
| 118 | Q | 30.8 | Very low | 32.2 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -66.6 | 124.9 | 172 | -64.7 | -176.6 | 12.1 | 0 | 0 | 108.4 | T116 I120 | T116-Q118 PolarHBondContact O-N 3.26Å; Q118-I120 PolarHBondContact O-N 2.84Å | ||
| 119 | L | 31.1 | Very low | 32.3 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -80.4 | 86.6 | -177.8 | -155.5 | 157.4 | 0 | 0 | 0 | 108.4 | H117 H121 | H117-L119 PolarHBondContact O-N 2.64Å; L119-H121 PolarHBondContact O-N 3.02Å; L119-H121 VanDerWaalsContact O-N 3.13Å | ||
| 120 | I | 29 | Very low | 32.3 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -66.7 | 110.5 | 174.3 | -60.8 | 178.6 | 0 | 0 | 0 | 108 | Q118 E122 | Q118-I120 PolarHBondContact O-N 2.84Å; I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 HydrophobicContact CG2-CB 4.31Å; I120-E122 PolarHBondContact O-N 2.84Å | ||
| 121 | H | 34.6 | Very low | 32.2 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 81.3 | 175.8 | -178.1 | -71.9 | 0 | 0 | 0 | 109.8 | L119 | L119-H121 PolarHBondContact O-N 3.02Å; L119-H121 VanDerWaalsContact O-N 3.13Å | ||
| 122 | E | 29.9 | Very low | 32.1 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -101 | 107.1 | 174.2 | -156.6 | 163.5 | -143.1 | 0 | 0 | 110.2 | I120 A124 | I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 HydrophobicContact CG2-CB 4.31Å; I120-E122 PolarHBondContact O-N 2.84Å; E122-A124 PolarHBondContact O-N 3.32Å | ||
| 123 | G | 37.4 | Very low | 31.7 | Very low | 75 Ų | 75 | 148.2 Ų | 148.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -77.5 | 105.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 124 | A | 28.5 | Very low | 31.4 | Very low | 71 Ų | 71 | 150.3 Ų | 150.3 | 59% | 0.587 | 80% | 0.798 | S | S | * | * | trans | -131.3 | 120 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | E122 | E122-A124 PolarHBondContact O-N 3.32Š| ||
| 125 | S | 34.6 | Very low | 31 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -69.7 | 126.8 | 179.4 | 58 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 126 | W | 28.1 | Very low | 31 | Very low | 231 Ų | 231 | 149 Ų | 149 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | -106.7 | 97.7 | 170.4 | -74.5 | 96.9 | 0 | 0 | 0 | 112.1 | ||||
| 127 | R | 27.4 | Very low | 30.8 | Very low | 227 Ų | 227 | 151.1 Ų | 151.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -72.1 | 133.9 | 167 | -168.7 | -174 | -144.8 | -132.9 | 7.7 | 108.8 | P129 | R127-P129 WeakPolarHBondContact O-CD 3.24Š| ||
| 128 | N | 29.7 | Very low | 30.8 | Very low | 159 Ų | 159 | 153 Ų | 153 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -58.2 | 131 | 177 | -64.4 | -31.9 | 0 | 0 | 0 | 112 | ||||
| 129 | P | 35.2 | Very low | 31.1 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -100.4 | 109.2 | 163 | 32.7 | -23.3 | 0 | 0 | 0 | 110.7 | R127 | R127-P129 WeakPolarHBondContact O-CD 3.24Š| ||
| 130 | S | 33.5 | Very low | 31 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -70.3 | 126.9 | 159.4 | 52.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 131 | G | 28.3 | Very low | 31 | Very low | 81 Ų | 81 | 155.2 Ų | 155.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -160.9 | 121.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 132 | K | 31.7 | Very low | 30.7 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -89.2 | 151.3 | 171.6 | -60.8 | 176.1 | 178.3 | 179.3 | 0 | 109.4 | ||||
| 133 | Y | 27.4 | Very low | 30.7 | Very low | 201 Ų | 201 | 150 Ų | 150 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | 173 | 170 | 115.4 | -97.4 | -70.5 | 0 | 0 | 0 | 112.7 | |||||
| 134 | H | 31.1 | Very low | 30.5 | Very low | 172 Ų | 172 | 154.3 Ų | 154.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -42.2 | 157.2 | -176.8 | -52.5 | -57.3 | 0 | 0 | 0 | 116.3 | ||||
| 135 | G | 25.9 | Very low | 30.7 | Very low | 70 Ų | 70 | 155.9 Ų | 155.9 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | cis | 127.4 | 108.8 | 7.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 136 | I | 30.4 | Very low | 30.6 | Very low | 158 Ų | 158 | 157 Ų | 157 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -141.8 | 136.1 | 173.3 | -64.7 | -175.1 | 0 | 0 | 0 | 108.5 | Y138 | I136-Y138 HydrophobicContact CG2-CE2 4.43Š| ||
| 137 | E | 30.2 | Very low | 30.6 | Very low | 176 Ų | 176 | 151.5 Ų | 151.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -92 | 146.6 | -176.8 | -55.7 | 173.8 | 127.9 | 0 | 0 | 112.4 | ||||
| 138 | Y | 30.8 | Very low | 30.8 | Very low | 225 Ų | 225 | 146.6 Ų | 146.6 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -151.5 | 159.6 | 150.7 | -83.6 | -58.8 | 0 | 0 | 0 | 109.5 | I136 | I136-Y138 HydrophobicContact CG2-CE2 4.43Š| ||
| 139 | P | 38 | Very low | 30.8 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -93.7 | 163.1 | -131.8 | 34.5 | -38.6 | 0 | 0 | 0 | 117.4 | ||||
| 140 | R | 28.3 | Very low | 30.5 | Very low | 199 Ų | 199 | 143.7 Ų | 143.7 | 75% | 0.751 | 82% | 0.815 | S | S | * | * | trans | -76.9 | 138.1 | -176.7 | -168.8 | -173.9 | -60.2 | 167.6 | -3.3 | 112.4 | D142 | R140-D142 VanDerWaalsContact CD-CG 3.46Å; R140-D142 WeakPolarHBondContact CD-OD1 3.27Å; R140-D142 WeakPolarHBondContact CD-OD2 3.26Å | ||
| 141 | F | 30.2 | Very low | 30.2 | Very low | 207 Ų | 207 | 146 Ų | 146 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | trans | -120.2 | 107.7 | 157.7 | -84.3 | -78.4 | 0 | 0 | 0 | 108.9 | ||||
| 142 | D | 27.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 68% | 0.684 | 81% | 0.808 | S | S | * | * | trans | -87.4 | 132.5 | 173.9 | -65.8 | -49.2 | 0 | 0 | 0 | 110 | R140 | R140-D142 VanDerWaalsContact CD-CG 3.46Å; R140-D142 WeakPolarHBondContact CD-OD1 3.27Å; R140-D142 WeakPolarHBondContact CD-OD2 3.26Å | ||
| 143 | A | 29.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -136.8 | 94.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 144 | L | 34.4 | Very low | 30 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 157 | 171.4 | -83 | 173.3 | 0 | 0 | 0 | 110.7 | ||
| 145 | P | 32.8 | Very low | 29.9 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 161 | -163.1 | 34.1 | -37.4 | 0 | 0 | 0 | 113.4 | S147 | P145-S147 PolarHBondContact O-N 2.8Š|
| 146 | P | 33 | Very low | 30.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 118 | 172.7 | 30.8 | -32.5 | 0 | 0 | 0 | 111.3 | ||
| 147 | S | 27.9 | Very low | 30.4 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -120.8 | 126.1 | 158 | 59.6 | 0 | 0 | 0 | 0 | 108.8 | P145 | P145-S147 PolarHBondContact O-N 2.8Š| ||
| 148 | S | 31.2 | Very low | 30.3 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -139.7 | 124.3 | 161.9 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 149 | T | 29.5 | Very low | 30.2 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -72.2 | 135.4 | 175.1 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 150 | G | 28.1 | Very low | 29.6 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -124.7 | 103.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 151 | Q | 29 | Very low | 29.5 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -84.5 | 139.8 | -173.7 | -172.3 | 176.8 | 1 | 0 | 0 | 111 | ||||
| 152 | G | 25.6 | Very low | 29.4 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -174.1 | 73.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 153 | E | 31.4 | Very low | 29.5 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -75 | 133.9 | 172.9 | -63 | 174.1 | 132.2 | 0 | 0 | 110.8 | ||||
| 154 | C | 26.2 | Very low | 29.4 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | trans | -176.9 | 110.3 | 141.2 | -97.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 155 | N | 28.6 | Very low | 29.2 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -121.6 | 141.5 | 152.1 | -110.7 | -29.7 | 0 | 0 | 0 | 104.9 | ||||
| 156 | P | 41.9 | Very low | 29 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | -151.3 | 147.9 | 89.8 | 38.5 | -20.5 | 0 | 0 | 0 | 117.2 | |||||
| 157 | Q | 25.5 | Very low | 28.8 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | 48.7 | 115.4 | 126.9 | -163.1 | 168.4 | -9.1 | 0 | 0 | 120.7 | |||||
| 158 | G | 27.3 | Very low | 28.7 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -161 | 135.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 159 | Q | 27.9 | Very low | 28.5 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -100.3 | 170.4 | -173.6 | -65.1 | 177.2 | -6.5 | 0 | 0 | 113.3 | ||||
| 160 | S | 27 | Very low | 28.4 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | 74.2 | 143.4 | 159.3 | -161.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 161 | G | 25.3 | Very low | 28.3 | Very low | 57 Ų | 57 | 145.8 Ų | 145.8 | 59% | 0.588 | 81% | 0.814 | S | S | * | * | cis | 170.7 | 147.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 162 | T | 27.3 | Very low | 28.3 | Very low | 131 Ų | 131 | 147 Ų | 147 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 47.4 | 126.1 | 150.2 | 42.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 163 | K | 29.9 | Very low | 28.3 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 95.8 | 117.6 | 137 | -72.7 | -178.7 | 175.7 | -178.1 | 0 | 122.4 | ||||
| 164 | H | 27.7 | Very low | 28.1 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 70% | 0.704 | 82% | 0.818 | S | S | * | * | trans | 33.8 | 133.1 | 135.2 | -56.3 | -68 | 0 | 0 | 0 | 122.4 | ||||
| 165 | H | 30.4 | Very low | 28.4 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | -165 | 154.8 | 90.6 | -99.2 | -65.2 | 0 | 0 | 0 | 113.7 | |||||
| 166 | N | 28.1 | Very low | 28.9 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | -82.4 | 156.4 | 173.3 | -63.9 | -20 | 0 | 0 | 0 | 111.3 | ||||
| 167 | Y | 29.4 | Very low | 28.4 | Very low | 238 Ų | 238 | 148.9 Ų | 148.9 | 93% | 0.933 | 81% | 0.814 | S | S | * | * | trans | -148 | 136.1 | 135.8 | -112.8 | -80.6 | 0 | 0 | 0 | 110.2 | ||||
| 168 | C | 26.6 | Very low | 28.6 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -90.9 | 155.6 | 174.4 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 169 | G | 27 | Very low | 28.6 | Very low | 78 Ų | 78 | 153.8 Ų | 153.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -156.3 | 106.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 170 | E | 26 | Very low | 28.6 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -71.9 | 146.6 | 180 | -59.2 | 162.6 | 142.7 | 0 | 0 | 110.7 | ||||
| 171 | H | 27.4 | Very low | 28.6 | Very low | 200 Ų | 200 | 148.7 Ų | 148.7 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -159.3 | 143 | 134.8 | -111 | 62.6 | 0 | 0 | 0 | 111.5 | ||||
| 172 | E | 27.3 | Very low | 28.8 | Very low | 196 Ų | 196 | 156 Ų | 156 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -98.4 | 145.8 | -169.9 | -176.1 | 174.9 | -164.3 | 0 | 0 | 111 | ||||
| 173 | G | 27.3 | Very low | 28.9 | Very low | 60 Ų | 60 | 154.9 Ų | 154.9 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | trans | 167.6 | 86 | 176.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 174 | N | 27.1 | Very low | 28.9 | Very low | 172 Ų | 172 | 153.5 Ų | 153.5 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | trans | 70.1 | 115.5 | 148 | -52.6 | -40.4 | 0 | 0 | 0 | 121.1 | ||||
| 175 | L | 31.7 | Very low | 28.8 | Very low | 168 Ų | 168 | 153.1 Ų | 153.1 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -98.1 | 176.1 | 157.4 | -80.8 | 163.9 | 0 | 0 | 0 | 109.8 | ||||
| 176 | P | 39 | Very low | 28.9 | Very low | 90 Ų | 90 | 149.4 Ų | 149.4 | 58% | 0.584 | 81% | 0.806 | S | S | * | * | cis | -128.5 | 169.6 | -27.1 | 33.4 | -17.2 | 0 | 0 | 0 | 112.8 | ||||
| 177 | H | 31 | Very low | 29.3 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -105.1 | 133.3 | 158.9 | -89.9 | -65.2 | 0 | 0 | 0 | 111.3 | ||||
| 178 | H | 29.8 | Very low | 29.6 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -77.5 | 149.2 | -172.7 | -87.1 | -95.8 | 0 | 0 | 0 | 114.2 | ||||
| 179 | H | 27.9 | Very low | 29.7 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -56.2 | 144.7 | 161.4 | -66.8 | -93.7 | 0 | 0 | 0 | 111.7 | ||||
| 180 | S | 26.9 | Very low | 29.9 | Very low | 86 Ų | 86 | 153.3 Ų | 153.3 | 60% | 0.601 | 80% | 0.804 | S | S | * | * | trans | -117.5 | 125.5 | 164.4 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | Y182 | S180-Y182 WeakPolarHBondContact OG-CE2 3.5Š| ||
| 181 | S | 28.3 | Very low | 30.1 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -111.3 | 129.4 | 172.3 | -58.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 182 | Y | 29.3 | Very low | 30.2 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -111.7 | 111.6 | 172.8 | -79.6 | -73.4 | 0 | 0 | 0 | 111 | S180 | S180-Y182 WeakPolarHBondContact OG-CE2 3.5Š| ||
| 183 | S | 27.9 | Very low | 30.3 | Very low | 109 Ų | 109 | 153 Ų | 153 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -101.5 | 138.1 | 156.3 | 177 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 184 | I | 29.9 | Very low | 30.3 | Very low | 155 Ų | 155 | 161.9 Ų | 161.9 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | trans | -134.9 | 126.5 | 163 | -70 | -171.8 | 0 | 0 | 0 | 108.5 | ||||
| 185 | D | 27.1 | Very low | 30.4 | Very low | 144 Ų | 144 | 159.6 Ų | 159.6 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -114.7 | 168.7 | 168.4 | -139.2 | -24.2 | 0 | 0 | 0 | 109 | ||||
| 186 | S | 31.6 | Very low | 30.2 | Very low | 111 Ų | 111 | 155.4 Ų | 155.4 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | 83 | 136.4 | 164.1 | 78.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 187 | I | 37 | Very low | 29.6 | Very low | 160 Ų | 160 | 157.2 Ų | 157.2 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | trans | -91 | 152.5 | 177.3 | -67.2 | 166 | 0 | 0 | 0 | 110.5 | ||||
| 188 | P | 34.8 | Very low | 29.7 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -115.2 | 126.2 | 152 | 34.1 | -24.6 | 0 | 0 | 0 | 113.6 | ||||
| 189 | N | 28.8 | Very low | 29.6 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -71.7 | 148.2 | 167.3 | -179.8 | 7.6 | 0 | 0 | 0 | 111 | ||||
| 190 | R | 32.4 | Very low | 29.6 | Very low | 242 Ų | 242 | 151.5 Ų | 151.5 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | -142.3 | 131.9 | 163.4 | -89.6 | -163.9 | 171.8 | -151.9 | -2.5 | 113 | ||||
| 191 | E | 29.5 | Very low | 29.6 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 157 | -178.8 | -68 | -171.9 | 95.5 | 0 | 0 | 115 | ||||
| 192 | K | 29.7 | Very low | 29.7 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | 45.1 | 120.1 | 140.2 | -68.3 | 165.9 | -177.7 | 148.4 | 0 | 119.6 | ||||
| 193 | R | 29.9 | Very low | 30.2 | Very low | 255 Ų | 255 | 151.6 Ų | 151.6 | 96% | 0.962 | 80% | 0.8 | S | S | * | * | -128.9 | 152.8 | 127.5 | -78.2 | -161.7 | 175.2 | -165.6 | -0.1 | 111.4 | |||||
| 194 | R | 27.1 | Very low | 30.2 | Very low | 247 Ų | 247 | 152 Ų | 152 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | -120.1 | 147.3 | -171.8 | 176.2 | -167.9 | -169.8 | -159.2 | 5.4 | 108.6 | ||||
| 195 | S | 28 | Very low | 30.1 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 143.4 | 133.8 | 141.1 | -166.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 196 | G | 28.2 | Very low | 30.1 | Very low | 80 Ų | 80 | 153.8 Ų | 153.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 153.2 | 63.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 197 | D | 27.4 | Very low | 30 | Very low | 128 Ų | 128 | 155.8 Ų | 155.8 | 68% | 0.684 | 80% | 0.802 | S | S | * | * | trans | -102.7 | 128.3 | -176 | -177.9 | 0.4 | 0 | 0 | 0 | 110.3 | N199 | D197-N199 PolarHBondContact OD1-ND2 3.23Š| ||
| 198 | V | 32.5 | Very low | 29.6 | Very low | 144 Ų | 144 | 154.5 Ų | 154.5 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | trans | -143 | 107.1 | 161 | -170.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 199 | N | 27.8 | Very low | 29.4 | Very low | 131 Ų | 131 | 156.6 Ų | 156.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -91.3 | 138.6 | 173.5 | -90.3 | -93.8 | 0 | 0 | 0 | 111.1 | D197 | D197-N199 PolarHBondContact OD1-ND2 3.23Š| ||
| 200 | L | 26.5 | Very low | 29.3 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -155.1 | 95.9 | 151.1 | -141.1 | 103.3 | 0 | 0 | 0 | 113.8 | ||||
| 201 | V | 28 | Very low | 29.4 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 58.5 | 109.6 | 136.6 | -176 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 202 | E | 29.4 | Very low | 29.4 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -75.4 | -171.1 | 159.1 | -121.6 | -174.4 | 175.5 | 0 | 0 | 112.1 | ||||
| 203 | P | 40.6 | Very low | 29.6 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | cis | -138.5 | -179.9 | -14.1 | 37 | -17.5 | 0 | 0 | 0 | 115.4 | ||||
| 204 | S | 27.5 | Very low | 29.6 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 173.2 | 100.8 | 139.8 | -75.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 205 | L | 29.4 | Very low | 29.7 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | 68.7 | 104.6 | 76 | -159.9 | 89.4 | 0 | 0 | 0 | 115 | F207 | L205-F207 HydrophobicContact CD1-CD2 4.38Å; L205-F207 HydrophobicContact CD1-CE2 3.85Å | |||
| 206 | E | 25.9 | Very low | 29.9 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | -157 | 154.5 | 124.6 | -120.8 | 178.1 | -149.2 | 0 | 0 | 112.4 | |||||
| 207 | F | 29.3 | Very low | 30.1 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -97.8 | 156 | -167.9 | -77.9 | -96.6 | 0 | 0 | 0 | 112.9 | L205 | L205-F207 HydrophobicContact CD1-CD2 4.38Å; L205-F207 HydrophobicContact CD1-CE2 3.85Å | ||
| 208 | S | 28.7 | Very low | 30.2 | Very low | 134 Ų | 134 | 148 Ų | 148 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | trans | -141 | 121.9 | 143.3 | -77.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 209 | K | 31.3 | Very low | 30.1 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -104.8 | 160.6 | -170.4 | -118 | -177.1 | -175.8 | 179 | 0 | 109.9 | ||||
| 210 | D | 27.2 | Very low | 30.2 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | 98.3 | 100.1 | 152.3 | -55.2 | -27.1 | 0 | 0 | 0 | 118.8 | ||||
| 211 | S | 32.9 | Very low | 30.4 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 56% | 0.559 | 79% | 0.791 | S | S | * | * | trans | -76.5 | 150.7 | 144.7 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 212 | F | 30.6 | Very low | 30.6 | Very low | 185 Ų | 185 | 146 Ų | 146 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | 159.4 | 129.1 | 121.2 | -80.5 | -57.3 | 0 | 0 | 0 | 113.9 | |||||
| 213 | L | 32.7 | Very low | 30.8 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | 65.1 | 130.6 | 152.9 | -61 | 169.5 | 0 | 0 | 0 | 120.6 | ||||
| 214 | P | 31.6 | Very low | 30.7 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 135.6 | 168.2 | 33 | -32.2 | 0 | 0 | 0 | 111.2 | ||
| 215 | R | 27.9 | Very low | 31.1 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 144.2 | 179.7 | -168 | 176.9 | -166.3 | 154.6 | 3.5 | 111.1 | ||
| 216 | T | 32.8 | Very low | 31.5 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 134.3 | 173 | -16.6 | 0 | 0 | 0 | 0 | 112 | ||
| 217 | S | 31.9 | Very low | 32.2 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -145.5 | 131.6 | 163.1 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 218 | E | 30.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -96.2 | 147 | -172.2 | -66.5 | 176.4 | 144.1 | 0 | 0 | 112.3 | ||||
| 219 | N | 30.6 | Very low | 33.6 | Very low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 55 | 102.5 | 146.8 | -53.7 | -22.4 | 0 | 0 | 0 | 120.1 | ||||
| 220 | V | 28.8 | Very low | 34.1 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -130 | 125.7 | 136.6 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 221 | S | 31.8 | Very low | 34.9 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -76.7 | 130.9 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 222 | V | 32.1 | Very low | 35.9 | Very low | 139 Ų | 139 | 140 Ų | 140 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -133 | 129.2 | 157.8 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 223 | E | 32.1 | Very low | 36.6 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -93.2 | 147.9 | -164.1 | -173.5 | 171.3 | 179.8 | 0 | 0 | 112.7 | ||||
| 224 | S | 38.3 | Very low | 37.2 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | 59.4 | 100.1 | 163.8 | 65.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 225 | T | 37.8 | Very low | 38.1 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | -149.5 | 116 | 127.2 | -65 | 0 | 0 | 0 | 0 | 106.9 | P227 | T225-P227 VanDerWaalsContact O-CD 3.32Å; T225-P227 WeakPolarHBondContact O-CD 3.41Å | |||
| 226 | E | 37 | Very low | 38.9 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -65 | 121.5 | 175.7 | -66.1 | 179.1 | 135.4 | 0 | 0 | 109.6 | I228 | E226-I228 PolarHBondContact O-N 3.07Å; E226-I228 VanDerWaalsContact O-N 3.13Å | ||
| 227 | P | 39.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -72.4 | 106.8 | 162 | 30.1 | -28.7 | 0 | 0 | 0 | 107 | T225 G229 | T225-P227 VanDerWaalsContact O-CD 3.32Å; T225-P227 WeakPolarHBondContact O-CD 3.41Å; P227-G229 PolarHBondContact O-N 3.44Å | ||
| 228 | I | 48.3 | Very low | 40.7 | Very low | 162 Ų | 162 | 132 Ų | 132 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | trans | -70.4 | 67.3 | 161.9 | -56.9 | 169.6 | 0 | 0 | 0 | 107.1 | E226 | E226-I228 PolarHBondContact O-N 3.07Å; E226-I228 VanDerWaalsContact O-N 3.13Å | ||
| 229 | G | 40.2 | Very low | 41.6 | Very low | 55 Ų | 55 | 132.9 Ų | 132.9 | 57% | 0.567 | 75% | 0.754 | S | S | * | * | trans | -98.9 | 100 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | P227 P231 | P227-G229 PolarHBondContact O-N 3.44Å; G229-P231 VanDerWaalsContact O-CD 3.27Å; G229-P231 WeakPolarHBondContact O-CD 3.39Å; G229-P231 VanDerWaalsContact O-N 3.08Å | ||
| 230 | C | 41.4 | Very low | 42.7 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | -52.7 | 117.5 | 159.8 | -61.5 | 0 | 0 | 0 | 0 | 106.9 | I232 | C230-I232 PolarHBondContact O-N 2.85Š| ||
| 231 | P | 43.7 | Very low | 44.2 | Very low | 123 Ų | 123 | 124 Ų | 124 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | -66.5 | 104.6 | 179.7 | 26 | -32 | 0 | 0 | 0 | 107.6 | G229 E233 | G229-P231 VanDerWaalsContact O-CD 3.27Å; G229-P231 WeakPolarHBondContact O-CD 3.39Å; G229-P231 VanDerWaalsContact O-N 3.08Å; P231-E233 PolarHBondContact O-N 3.37Å | ||
| 232 | I | 53.8 | Low | 46.3 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | trans | -68 | 103.5 | 168.8 | -60.6 | 176.6 | 0 | 0 | 0 | 105.1 | C230 I234 | C230-I232 PolarHBondContact O-N 2.85Å; I232-I234 VanDerWaalsContact C-N 3.32Å; I232-I234 HydrophobicContact CG2-CG1 4.23Å; I232-I234 PolarHBondContact O-N 3.4Å | ||
| 233 | E | 44.7 | Very low | 48.6 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | trans | -69.5 | 92.3 | 176.9 | -166.9 | 173 | -156 | 0 | 0 | 108.6 | P231 V235 | P231-E233 PolarHBondContact O-N 3.37Å; E233-V235 VanDerWaalsContact C-N 3.26Å; E233-V235 HydrophobicContact CG-CG2 4.17Å; E233-V235 PolarHBondContact O-N 2.95Å | ||
| 234 | I | 45.4 | Very low | 50.9 | Low | 155 Ų | 155 | 123.6 Ų | 123.6 | 80% | 0.795 | 70% | 0.7 | S | S | * | * | trans | -74.9 | 85.6 | 175.3 | -55.6 | 176.2 | 0 | 0 | 0 | 107.4 | I232 E236 | I232-I234 VanDerWaalsContact C-N 3.32Å; I232-I234 HydrophobicContact CG2-CG1 4.23Å; I232-I234 PolarHBondContact O-N 3.4Å; I234-E236 PolarHBondContact O-N 2.85Å | ||
| 235 | V | 51 | Low | 53 | Low | 97 Ų | 97 | 120 Ų | 120 | 59% | 0.588 | 67% | 0.672 | S | S | * | * | trans | -68.9 | 123.3 | 168.1 | -174.4 | 0 | 0 | 0 | 0 | 108 | E233 V237 | E233-V235 VanDerWaalsContact C-N 3.26Å; E233-V235 HydrophobicContact CG-CG2 4.17Å; E233-V235 PolarHBondContact O-N 2.95Å; V235-V237 HydrophobicContact CB-CG2 4.23Å; V235-V237 HydrophobicContact CG1-CG2 4Å; V235-V237 WeakPolarHBondContact O-CG2 3.3Å; V235-V237 PolarHBondContact O-N 3.37Å; V235-V237 VanDerWaalsContact O-N 3.07Å | ||
| 236 | E | 44.3 | Very low | 55 | Low | 196 Ų | 196 | 115.3 Ų | 115.3 | 92% | 0.916 | 65% | 0.647 | S | S | * | * | trans | -72 | 100.7 | 174.1 | -171.7 | 170 | -162.1 | 0 | 0 | 109.2 | I234 | I234-E236 PolarHBondContact O-N 2.85Š| ||
| 237 | V | 51.7 | Low | 57.3 | Low | 71 Ų | 71 | 109.9 Ų | 109.9 | 43% | 0.43 | 63% | 0.628 | S | S | . | * | trans | -112.5 | 138.5 | 175.9 | -152.4 | 0 | 0 | 0 | 0 | 108.6 | V235 Q239 S241 | V235-V237 HydrophobicContact CB-CG2 4.23Å; V235-V237 HydrophobicContact CG1-CG2 4Å; V235-V237 WeakPolarHBondContact O-CG2 3.3Å; V235-V237 PolarHBondContact O-N 3.37Å; V235-V237 VanDerWaalsContact O-N 3.07Å; V237-Q239 PolarHBondContact O-N 3.09Å; V237-S241 VanDerWaalsContact CG1-CB 3.48Å; V237-S241 WeakPolarHBondContact CG1-OG 3.43Å | ||
| 238 | P | 52.4 | Low | 59.5 | Low | 103 Ų | 103 | 108.3 Ų | 108.3 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | trans | -50 | 141.8 | 173.8 | 15.6 | -31 | 0 | 0 | 0 | 112.7 | G240 S241 | P238-G240 PolarHBondContact O-N 2.93Å; P238-S241 WeakPolarHBondContact O-CB 3.48Å; P238-S241 PolarHBondContact O-N 3.05Å; P238-S241 VanDerWaalsContact O-N 3.08Å | ||
| 239 | Q | 47.6 | Very low | 61.2 | Low | 180 Ų | 180 | 101.8 Ų | 101.8 | 84% | 0.841 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.8 | 131.5 | -164.5 | -159.4 | -178.2 | 22.5 | 0 | 0 | 113.7 | V237 S241 N390 | V237-Q239 PolarHBondContact O-N 3.09Å; Q239-S241 VanDerWaalsContact C-N 3.27Å; Q239-S241 PolarHBondContact O-N 3.31Å; Q239-N390 PolarHBondContact O-ND2 3.41Å |
| 240 | G | 55.2 | Low | 63.4 | Low | 59 Ų | 59 | 104 Ų | 104 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.1 | -4.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P238 N242 | P238-G240 PolarHBondContact O-N 2.93Å; G240-N242 PolarHBondContact O-N 3.1Å |
| 241 | S | 60.5 | Low | 65.7 | Low | 38 Ų | 38 | 102.4 Ų | 102.4 | 27% | 0.266 | 56% | 0.556 | S | S | . | * | trans | -75.4 | 108.4 | 177.6 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | V237 P238 Q239 | V237-S241 VanDerWaalsContact CG1-CB 3.48Å; V237-S241 WeakPolarHBondContact CG1-OG 3.43Å; P238-S241 WeakPolarHBondContact O-CB 3.48Å; P238-S241 PolarHBondContact O-N 3.05Å; P238-S241 VanDerWaalsContact O-N 3.08Å; Q239-S241 VanDerWaalsContact C-N 3.27Å; Q239-S241 PolarHBondContact O-N 3.31Å | ||
| 242 | N | 74.7 | Confident | 67.8 | Low | 96 Ų | 96 | 97.7 Ų | 97.7 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | trans | -102.3 | 169.2 | 164.7 | 66.6 | 47.3 | 0 | 0 | 0 | 110.5 | G240 N244 L245 A246 | G240-N242 PolarHBondContact O-N 3.1Å; N242-N244 PolarHBondContact O-N 3.07Å; N242-N244 VanDerWaalsContact O-N 3.12Å; N242-N244 WeakPolarHBondContact OD1-CA 3.4Å; N242-N244 WeakPolarHBondContact OD1-CB 3.43Å; N242-N244 PolarHBondContact OD1-N 3.42Å; N242-L245 WeakPolarHBondContact O-CB 3.23Å; N242-L245 PolarHBondContact O-N 2.87Å; N242-L245 PolarHBondContact OD1-N 3.21Å; N242-A246 PolarHBondContact O-N 3.37Å | ||
| 243 | K | 80.4 | Confident | 69.4 | Low | 183 Ų | 183 | 96.6 Ų | 96.6 | 80% | 0.796 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -54 | -34.2 | -179.2 | -174.7 | 176.6 | 179.1 | 178.2 | 0 | 113.4 | S247 | K243-S247 VanDerWaalsContact O-CB 3.3Å; K243-S247 WeakPolarHBondContact O-CB 3.16Å; K243-S247 PolarHBondContact O-N 3.25Å |
| 244 | N | 81.3 | Confident | 71.6 | Confident | 129 Ų | 129 | 93.4 Ų | 93.4 | 69% | 0.69 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.6 | -39.4 | 178.5 | -60.9 | -11.8 | 0 | 0 | 0 | 111.1 | N242 S247 F248 | N242-N244 PolarHBondContact O-N 3.07Å; N242-N244 VanDerWaalsContact O-N 3.12Å; N242-N244 WeakPolarHBondContact OD1-CA 3.4Å; N242-N244 WeakPolarHBondContact OD1-CB 3.43Å; N242-N244 PolarHBondContact OD1-N 3.42Å; N244-S247 PolarHBondContact O-N 3.17Å; N244-F248 WeakPolarHBondContact O-CB 3.49Å; N244-F248 PolarHBondContact O-N 3.11Å |
| 245 | L | 81.8 | Confident | 73.8 | Confident | 26 Ų | 26 | 88.8 Ų | 88.8 | 14% | 0.136 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 175.1 | -173.3 | 58.5 | 0 | 0 | 0 | 111.5 | N242 S247 F248 C249 L389 | N242-L245 WeakPolarHBondContact O-CB 3.23Å; N242-L245 PolarHBondContact O-N 2.87Å; N242-L245 PolarHBondContact OD1-N 3.21Å; L245-S247 VanDerWaalsContact C-N 3.31Å; L245-S247 PolarHBondContact O-N 3.12Å; L245-F248 PolarHBondContact O-N 2.67Å; L245-C249 PolarHBondContact O-N 2.67Å; L245-C249 PolarHBondContact O-SG 2.97Å; L245-C249 VanDerWaalsContact O-SG 3.38Å; L245-L389 HydrophobicContact CD1-CB 3.82Å; L245-L389 HydrophobicContact CD1-CD2 3.43Å; L245-L389 VanDerWaalsContact CD1-CD2 3.43Å; L245-L389 HydrophobicContact CD1-CG 4.21Å |
| 246 | A | 80.4 | Confident | 75.6 | Confident | 38 Ų | 38 | 86.3 Ų | 86.3 | 31% | 0.314 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N242 N250 | N242-A246 PolarHBondContact O-N 3.37Å; A246-N250 WeakPolarHBondContact O-CB 3.29Å; A246-N250 PolarHBondContact O-N 3.3Å; A246-N250 PolarHBondContact O-ND2 2.85Å |
| 247 | S | 84.6 | Confident | 77.7 | Confident | 54 Ų | 54 | 82.5 Ų | 82.5 | 38% | 0.378 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 174.8 | -169 | 0 | 0 | 0 | 0 | 112.3 | K243 N244 L245 N250 K251 | K243-S247 VanDerWaalsContact O-CB 3.3Å; K243-S247 WeakPolarHBondContact O-CB 3.16Å; K243-S247 PolarHBondContact O-N 3.25Å; N244-S247 PolarHBondContact O-N 3.17Å; L245-S247 VanDerWaalsContact C-N 3.31Å; L245-S247 PolarHBondContact O-N 3.12Å; S247-N250 PolarHBondContact O-N 3.43Å; S247-K251 WeakPolarHBondContact O-CG 3.31Å; S247-K251 PolarHBondContact O-N 3.13Å |
| 248 | F | 85.4 | Confident | 79.6 | Confident | 91 Ų | 91 | 82.8 Ų | 82.8 | 40% | 0.399 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 176.7 | 174.8 | -100.3 | 0 | 0 | 0 | 111.8 | N244 L245 N250 K251 V252 F387 L389 | N244-F248 WeakPolarHBondContact O-CB 3.49Å; N244-F248 PolarHBondContact O-N 3.11Å; L245-F248 PolarHBondContact O-N 2.67Å; F248-N250 VanDerWaalsContact C-N 3.29Å; F248-N250 PolarHBondContact O-N 3.34Å; F248-K251 WeakPolarHBondContact O-CB 3.39Å; F248-K251 PolarHBondContact O-N 3.47Å; F248-V252 HydrophobicContact CD1-CG2 4.37Å; F248-V252 HydrophobicContact CE1-CG2 3.93Å; F248-V252 HydrophobicContact CE2-CG2 4.09Å; F248-V252 HydrophobicContact CZ-CG2 3.77Å; F248-V252 WeakPolarHBondContact O-CG2 3.36Å; F248-V252 PolarHBondContact O-N 3.04Å; F248-F387 HydrophobicContact CD1-CE1 4.03Å; F248-F387 AromaticContact CE1-CE1 3.62Å; F248-F387 HydrophobicContact CE1-CE1 3.62Å; F248-F387 AromaticContact CE1-CZ 3.75Å; F248-F387 HydrophobicContact CE1-CZ 3.75Å; F248-F387 HydrophobicContact CZ-CZ 4.43Å; F248-L389 HydrophobicContact CD1-CD2 4.13Å; F248-L389 HydrophobicContact CE1-CD1 4.06Å; F248-L389 HydrophobicContact CE1-CD2 4.08Å; F248-L389 HydrophobicContact CE1-CG 4.44Å |
| 249 | C | 84.1 | Confident | 81.4 | Confident | 24 Ų | 24 | 81.3 Ų | 81.3 | 16% | 0.162 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 176.9 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | L245 K251 V252 K253 F387 | L245-C249 PolarHBondContact O-N 2.67Å; L245-C249 PolarHBondContact O-SG 2.97Å; L245-C249 VanDerWaalsContact O-SG 3.38Å; C249-K251 PolarHBondContact O-N 3.34Å; C249-V252 PolarHBondContact O-N 3.41Å; C249-K253 PolarHBondContact O-N 2.93Å; C249-F387 HydrophobicContact CB-CD1 3.94Å; C249-F387 HydrophobicContact CB-CE1 4.41Å |
| 250 | N | 86.1 | Confident | 83.5 | Confident | 103 Ų | 103 | 76.4 Ų | 76.4 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.3 | -37.2 | 174.5 | -74.6 | -18.9 | 0 | 0 | 0 | 112.7 | A246 S247 F248 K253 K254 | A246-N250 WeakPolarHBondContact O-CB 3.29Å; A246-N250 PolarHBondContact O-N 3.3Å; A246-N250 PolarHBondContact O-ND2 2.85Å; S247-N250 PolarHBondContact O-N 3.43Å; F248-N250 VanDerWaalsContact C-N 3.29Å; F248-N250 PolarHBondContact O-N 3.34Å; N250-K253 PolarHBondContact O-N 2.8Å; N250-K254 WeakPolarHBondContact O-CG 3.36Å; N250-K254 PolarHBondContact O-N 3.47Å |
| 251 | K | 90.3 | Very high | 85.2 | Confident | 73 Ų | 73 | 74.2 Ų | 74.2 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 173.2 | -72.6 | 174.3 | -171.3 | -60.9 | 0 | 111.6 | N48 S247 F248 C249 K253 K254 I255 | N48-K251 PolarHBondContact OD1-NZ 3.4Å; S247-K251 WeakPolarHBondContact O-CG 3.31Å; S247-K251 PolarHBondContact O-N 3.13Å; F248-K251 WeakPolarHBondContact O-CB 3.39Å; F248-K251 PolarHBondContact O-N 3.47Å; C249-K251 PolarHBondContact O-N 3.34Å; K251-K253 VanDerWaalsContact C-N 3.3Å; K251-K253 PolarHBondContact O-N 2.98Å; K251-K254 PolarHBondContact O-N 3.46Å; K251-I255 WeakPolarHBondContact O-CG1 3.44Å; K251-I255 PolarHBondContact O-N 2.85Å |
| 252 | V | 88.1 | Confident | 86.5 | Confident | 25 Ų | 25 | 76.7 Ų | 76.7 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 175.4 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | F248 C249 I255 R256 F387 | F248-V252 HydrophobicContact CD1-CG2 4.37Å; F248-V252 HydrophobicContact CE1-CG2 3.93Å; F248-V252 HydrophobicContact CE2-CG2 4.09Å; F248-V252 HydrophobicContact CZ-CG2 3.77Å; F248-V252 WeakPolarHBondContact O-CG2 3.36Å; F248-V252 PolarHBondContact O-N 3.04Å; C249-V252 PolarHBondContact O-N 3.41Å; V252-I255 WeakPolarHBondContact O-CB 3.32Å; V252-I255 PolarHBondContact O-N 3.44Å; V252-R256 PolarHBondContact O-N 3.46Å; V252-F387 HydrophobicContact CB-CD1 3.94Å; V252-F387 HydrophobicContact CB-CE1 3.97Å; V252-F387 HydrophobicContact CB-CG 4.27Å; V252-F387 HydrophobicContact CB-CZ 4.32Å; V252-F387 HydrophobicContact CG1-CB 4.44Å; V252-F387 HydrophobicContact CG1-CD1 3.91Å; V252-F387 HydrophobicContact CG1-CD2 3.72Å; V252-F387 HydrophobicContact CG1-CE1 4.05Å; V252-F387 HydrophobicContact CG1-CE2 3.85Å; V252-F387 HydrophobicContact CG1-CG 3.74Å; V252-F387 HydrophobicContact CG1-CZ 4.01Å; V252-F387 HydrophobicContact CG2-CD1 4.36Å; V252-F387 HydrophobicContact CG2-CE1 3.87Å; V252-F387 HydrophobicContact CG2-CZ 4.02Å |
| 253 | K | 87.6 | Confident | 87.2 | Confident | 115 Ų | 115 | 74.8 Ų | 74.8 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60 | -49 | 173.5 | -164.9 | -171.1 | -177.2 | -130.2 | 0 | 111.7 | C249 N250 K251 I255 R256 E257 | C249-K253 PolarHBondContact O-N 2.93Å; N250-K253 PolarHBondContact O-N 2.8Å; K251-K253 VanDerWaalsContact C-N 3.3Å; K251-K253 PolarHBondContact O-N 2.98Å; K253-I255 VanDerWaalsContact C-N 3.28Å; K253-I255 PolarHBondContact O-N 2.92Å; K253-R256 WeakPolarHBondContact O-CB 3.43Å; K253-R256 PolarHBondContact O-N 3.31Å; K253-R256 VanDerWaalsContact O-N 3.09Å; K253-E257 WeakPolarHBondContact CE-OE1 3.21Å; K253-E257 HydrophobicContact CG-CG 4.48Å; K253-E257 IonicContact NZ-OE1 3.9Å; K253-E257 PolarHBondContact NZ-OE1 2.81Å; K253-E257 WeakPolarHBondContact O-CG 3.32Å; K253-E257 PolarHBondContact O-N 3.19Å |
| 254 | K | 90.9 | Very high | 87.3 | Confident | 106 Ų | 106 | 70.2 Ų | 70.2 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.2 | -36.8 | 175.2 | -75.1 | -173.8 | 172.5 | -160.7 | 0 | 113.1 | I47 N250 K251 E257 S258 | I47-K254 HydrophobicContact CG2-CB 4.19Å; I47-K254 HydrophobicContact CG2-CD 4.06Å; N250-K254 WeakPolarHBondContact O-CG 3.36Å; N250-K254 PolarHBondContact O-N 3.47Å; K251-K254 PolarHBondContact O-N 3.46Å; K254-E257 PolarHBondContact O-N 3.22Å; K254-S258 VanDerWaalsContact O-CB 3.32Å; K254-S258 WeakPolarHBondContact O-CB 3.41Å; K254-S258 PolarHBondContact O-N 2.96Å; K254-S258 PolarHBondContact O-OG 2.93Å |
| 255 | I | 90.4 | Very high | 87.4 | Confident | 58 Ų | 58 | 71 Ų | 71 | 30% | 0.297 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 174.1 | -67.3 | 166.8 | 0 | 0 | 0 | 110.2 | L43 I47 K251 V252 K253 E257 S258 Y259 | L43-I255 HydrophobicContact CD2-CD1 4.5Å; I47-I255 HydrophobicContact CD1-CD1 4.1Å; I47-I255 HydrophobicContact CD1-CG1 3.37Å; K251-I255 WeakPolarHBondContact O-CG1 3.44Å; K251-I255 PolarHBondContact O-N 2.85Å; V252-I255 WeakPolarHBondContact O-CB 3.32Å; V252-I255 PolarHBondContact O-N 3.44Å; K253-I255 VanDerWaalsContact C-N 3.28Å; K253-I255 PolarHBondContact O-N 2.92Å; I255-E257 VanDerWaalsContact C-N 3.34Å; I255-E257 PolarHBondContact O-N 3.4Å; I255-S258 PolarHBondContact O-N 3.17Å; I255-Y259 HydrophobicContact CG2-CD2 4.19Å; I255-Y259 WeakPolarHBondContact O-CD2 3.22Å; I255-Y259 PolarHBondContact O-N 3.07Å |
| 256 | R | 89.1 | Confident | 87.6 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.5 | -68.3 | 174.4 | 173.9 | -165 | -11 | 112.4 | V252 K253 Y259 D382 S385 | V252-R256 PolarHBondContact O-N 3.46Å; K253-R256 WeakPolarHBondContact O-CB 3.43Å; K253-R256 PolarHBondContact O-N 3.31Å; K253-R256 VanDerWaalsContact O-N 3.09Å; R256-Y259 CarbonylContact O-C 3.46Å; R256-D382 PolarHBondContact NH1-O 3.37Å; R256-S385 PolarHBondContact NH1-O 3.29Å; R256-S385 PolarHBondContact NH1-OG 2.93Å |
| 257 | E | 88.5 | Confident | 88 | Confident | 115 Ų | 115 | 70.9 Ų | 70.9 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.9 | -33.9 | 176.4 | -70 | 166.9 | 166.6 | 0 | 0 | 112.7 | K253 K254 I255 | K253-E257 WeakPolarHBondContact CE-OE1 3.21Å; K253-E257 HydrophobicContact CG-CG 4.48Å; K253-E257 IonicContact NZ-OE1 3.9Å; K253-E257 PolarHBondContact NZ-OE1 2.81Å; K253-E257 WeakPolarHBondContact O-CG 3.32Å; K253-E257 PolarHBondContact O-N 3.19Å; K254-E257 PolarHBondContact O-N 3.22Å; I255-E257 VanDerWaalsContact C-N 3.34Å; I255-E257 PolarHBondContact O-N 3.4Å |
| 258 | S | 91.8 | Very high | 88.2 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -83.6 | -30.3 | -178.9 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | K254 I255 | K254-S258 VanDerWaalsContact O-CB 3.32Å; K254-S258 WeakPolarHBondContact O-CB 3.41Å; K254-S258 PolarHBondContact O-N 2.96Å; K254-S258 PolarHBondContact O-OG 2.93Å; I255-S258 PolarHBondContact O-N 3.17Å |
| 259 | Y | 91 | Very high | 88.4 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -124.7 | 88.8 | -178.8 | -57.5 | -79.4 | 0 | 0 | 0 | 108.2 | L43 I255 R256 R378 | L43-Y259 HydrophobicContact CD1-CE2 3.54Å; L43-Y259 VanDerWaalsContact CD1-OH 3.28Å; L43-Y259 WeakPolarHBondContact CD1-OH 3.24Å; I255-Y259 HydrophobicContact CG2-CD2 4.19Å; I255-Y259 WeakPolarHBondContact O-CD2 3.22Å; I255-Y259 PolarHBondContact O-N 3.07Å; R256-Y259 CarbonylContact O-C 3.46Å; Y259-R378 PolarHBondContact O-NH1 3.23Å; Y259-R378 PolarHBondContact O-NH2 2.94Å |
| 260 | H | 90.7 | Very high | 88.7 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | trans | -71.6 | 146.5 | -176.1 | -164.2 | -112.4 | 0 | 0 | 0 | 111.8 | S262 D263 D383 | H260-S262 PolarHBondContact ND1-N 2.77Å; H260-S262 PolarHBondContact ND1-OG 2.86Å; H260-S262 PolarHBondContact O-N 3.42Å; H260-S262 VanDerWaalsContact O-N 3.1Å; H260-D263 PolarHBondContact O-N 2.98Å; H260-D383 IonicContact CD2-OD2 3.71Å; H260-D383 PolarHBondContact CD2-OD2 3.14Å; H260-D383 IonicContact CG-OD2 2.69Å; H260-D383 IonicContact NE2-OD2 3.78Å | ||
| 261 | A | 90.6 | Very high | 89 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N267 R378 K379 D383 | A261-N267 WeakPolarHBondContact CA-ND2 3.45Å; A261-N267 PolarHBondContact O-ND2 2.94Å; A261-R378 HydrophobicContact CB-CB 3.91Å; A261-K379 WeakPolarHBondContact CB-O 3.27Å; A261-D383 VanDerWaalsContact CB-OD2 3.32Å; A261-D383 WeakPolarHBondContact CB-OD2 3.48Å; A261-D383 PolarHBondContact N-OD2 2.99Å |
| 262 | S | 88.3 | Confident | 89.2 | Confident | 90 Ų | 90 | 66.7 Ų | 66.7 | 63% | 0.629 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -14.4 | 173.6 | 69.7 | 0 | 0 | 0 | 0 | 114.5 | H260 I264 | H260-S262 PolarHBondContact ND1-N 2.77Å; H260-S262 PolarHBondContact ND1-OG 2.86Å; H260-S262 PolarHBondContact O-N 3.42Å; H260-S262 VanDerWaalsContact O-N 3.1Å; S262-I264 PolarHBondContact O-N 2.85Å |
| 263 | D | 89 | Confident | 89.4 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | trans | -80.2 | 105.5 | 174.6 | 169.2 | 37.3 | 0 | 0 | 0 | 110 | H260 N265 S266 N267 | H260-D263 PolarHBondContact O-N 2.98Å; D263-N265 PolarHBondContact O-N 2.85Å; D263-N265 WeakPolarHBondContact OD1-CB 3.44Å; D263-N265 PolarHBondContact OD1-N 3.21Å; D263-N265 PolarHBondContact OD1-ND2 2.85Å; D263-S266 PolarHBondContact O-N 3.41Å; D263-S266 WeakPolarHBondContact OD2-CB 3.26Å; D263-S266 PolarHBondContact OD2-N 2.98Å; D263-S266 PolarHBondContact OD2-OG 3.05Å; D263-N267 WeakPolarHBondContact O-CA 3.39Å; D263-N267 WeakPolarHBondContact O-CB 3.37Å; D263-N267 PolarHBondContact O-N 2.98Å | ||
| 264 | I | 82.6 | Confident | 89.7 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 44% | 0.441 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.2 | -179.3 | -61.6 | 172.4 | 0 | 0 | 0 | 111.6 | S262 S268 | S262-I264 PolarHBondContact O-N 2.85Å; I264-S268 WeakPolarHBondContact O-CA 3.39Å; I264-S268 VanDerWaalsContact O-CB 3.3Å; I264-S268 WeakPolarHBondContact O-CB 3.34Å; I264-S268 PolarHBondContact O-N 2.75Å; I264-S268 VanDerWaalsContact O-N 3.12Å |
| 265 | N | 84.3 | Confident | 89.8 | Confident | 145 Ų | 145 | 61.1 Ų | 61.1 | 78% | 0.775 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -51.1 | -179.1 | -57 | -67.7 | 0 | 0 | 0 | 111.4 | D263 | D263-N265 PolarHBondContact O-N 2.85Å; D263-N265 WeakPolarHBondContact OD1-CB 3.44Å; D263-N265 PolarHBondContact OD1-N 3.21Å; D263-N265 PolarHBondContact OD1-ND2 2.85Å |
| 266 | S | 85.3 | Confident | 89.7 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -24 | 176.5 | 63 | 0 | 0 | 0 | 0 | 114.1 | D263 | D263-S266 PolarHBondContact O-N 3.41Å; D263-S266 WeakPolarHBondContact OD2-CB 3.26Å; D263-S266 PolarHBondContact OD2-N 2.98Å; D263-S266 PolarHBondContact OD2-OG 3.05Å |
| 267 | N | 89.8 | Confident | 89.3 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.064 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 33 | -177.8 | -165.3 | 43.7 | 0 | 0 | 0 | 113.8 | A261 D263 G269 S377 R378 | A261-N267 WeakPolarHBondContact CA-ND2 3.45Å; A261-N267 PolarHBondContact O-ND2 2.94Å; D263-N267 WeakPolarHBondContact O-CA 3.39Å; D263-N267 WeakPolarHBondContact O-CB 3.37Å; D263-N267 PolarHBondContact O-N 2.98Å; N267-G269 PolarHBondContact O-N 3.32Å; N267-G269 VanDerWaalsContact O-N 3.09Å; N267-S377 WeakPolarHBondContact O-CB 3.4Å; N267-S377 PolarHBondContact O-OG 3.01Å; N267-R378 PolarHBondContact ND2-N 3.44Å; N267-R378 PolarHBondContact ND2-O 3.2Å; N267-R378 PolarHBondContact OD1-N 3.01Å |
| 268 | S | 88.6 | Confident | 88.5 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 12% | 0.119 | 36% | 0.358 | C | S | . | . | trans | -63.4 | -14.6 | -179.1 | 66.1 | 0 | 0 | 0 | 0 | 115.4 | I264 K270 G374 S377 | I264-S268 WeakPolarHBondContact O-CA 3.39Å; I264-S268 VanDerWaalsContact O-CB 3.3Å; I264-S268 WeakPolarHBondContact O-CB 3.34Å; I264-S268 PolarHBondContact O-N 2.75Å; I264-S268 VanDerWaalsContact O-N 3.12Å; S268-K270 PolarHBondContact O-N 3.07Å; S268-G374 PolarHBondContact O-N 2.93Å; S268-S377 VanDerWaalsContact C-OG 3.26Å; S268-S377 PolarHBondContact O-OG 3.38Å | ||
| 269 | G | 89.4 | Confident | 87.6 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | 67.9 | 17.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N267 S377 | N267-G269 PolarHBondContact O-N 3.32Å; N267-G269 VanDerWaalsContact O-N 3.09Å; G269-S377 WeakPolarHBondContact CA-OG 3.44Å; G269-S377 PolarHBondContact N-OG 3.14Å; G269-S377 VanDerWaalsContact N-OG 3.08Å | ||
| 270 | K | 90.3 | Very high | 86.6 | Confident | 46 Ų | 46 | 64.2 Ų | 64.2 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 124.8 | 179.1 | -66.7 | 162.9 | -170.5 | 166.4 | 0 | 109.2 | S268 W272 L333 F342 N369 R370 | S268-K270 PolarHBondContact O-N 3.07Å; K270-W272 HydrophobicContact CB-CZ2 4.1Å; K270-W272 HydrophobicContact CD-CH2 4.31Å; K270-W272 HydrophobicContact CD-CZ2 4.19Å; K270-L333 HydrophobicContact CD-CD1 3.98Å; K270-F342 HydrophobicContact CB-CD2 3.99Å; K270-F342 HydrophobicContact CB-CE2 4.32Å; K270-F342 HydrophobicContact CG-CD2 4.29Å; K270-F342 HydrophobicContact CG-CE2 4.25Å; K270-N369 PolarHBondContact NZ-OD1 2.94Å; K270-R370 PolarHBondContact NZ-O 3.4Å |
| 271 | I | 92.4 | Very high | 85.7 | Confident | 69 Ų | 69 | 71.5 Ų | 71.5 | 35% | 0.354 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.2 | 169.8 | -62.3 | 172.4 | 0 | 0 | 0 | 107.6 | E340 E341 F342 L376 | I271-E340 HydrophobicContact CD1-CB 4.02Å; I271-E341 HydrophobicContact CG2-CG 3.92Å; I271-E341 CarbonylContact O-C 3.57Å; I271-E341 WeakPolarHBondContact O-CA 3.41Å; I271-F342 PolarHBondContact O-N 2.94Å; I271-L376 HydrophobicContact CD1-CD1 3.44Å; I271-L376 VanDerWaalsContact CD1-CD1 3.44Å; I271-L376 HydrophobicContact CG1-CD1 3.7Å |
| 272 | W | 93.4 | Very high | 84.9 | Confident | 106 Ų | 106 | 75.5 Ų | 75.5 | 40% | 0.402 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131 | 175.1 | -60.9 | 111.5 | 0 | 0 | 0 | 111 | K270 I274 L333 F342 Q344 | K270-W272 HydrophobicContact CB-CZ2 4.1Å; K270-W272 HydrophobicContact CD-CH2 4.31Å; K270-W272 HydrophobicContact CD-CZ2 4.19Å; W272-I274 PolarHBondContact O-N 3.24Å; W272-L333 HydrophobicContact CH2-CD1 4.47Å; W272-L333 HydrophobicContact CH2-CD2 4.01Å; W272-L333 HydrophobicContact CZ3-CD2 4.12Å; W272-F342 HydrophobicContact CE3-CB 3.71Å; W272-F342 HydrophobicContact CZ3-CB 3.68Å; W272-Q344 HydrophobicContact CB-CG 3.95Å; W272-Q344 HydrophobicContact CD2-CG 4.43Å; W272-Q344 HydrophobicContact CE3-CG 4.16Å; W272-Q344 HydrophobicContact CG-CG 4.37Å |
| 273 | A | 93.9 | Very high | 84.4 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 2% | 0.017 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 132.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | T275 E341 F342 L343 Q344 | A273-T275 PolarHBondContact O-N 3.39Å; A273-E341 HydrophobicContact CB-CB 4.03Å; A273-F342 WeakPolarHBondContact CB-O 3.32Å; A273-F342 PolarHBondContact N-O 3.44Å; A273-L343 HydrophobicContact CB-CD2 4.02Å; A273-Q344 PolarHBondContact O-NE2 2.74Å |
| 274 | I | 93.1 | Very high | 83.5 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -65 | 125.2 | -174.3 | -56.6 | 172.8 | 0 | 0 | 0 | 110.4 | W272 K353 | W272-I274 PolarHBondContact O-N 3.24Å; I274-K353 HydrophobicContact CB-CD 4Å; I274-K353 HydrophobicContact CB-CG 4.28Å; I274-K353 HydrophobicContact CG2-CD 3.69Å; I274-K353 HydrophobicContact CG2-CG 4.14Å; I274-K353 PolarHBondContact O-N 3.48Å |
| 275 | T | 92.6 | Very high | 83.5 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 22% | 0.221 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -98.6 | 158.9 | 172.5 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | A273 Q344 H347 G351 H352 | A273-T275 PolarHBondContact O-N 3.39Å; T275-Q344 HydrophobicContact CG2-CG 4.47Å; T275-Q344 PolarHBondContact OG1-NE2 3.27Å; T275-H347 HydrophobicContact CG2-CB 3.91Å; T275-H347 VanDerWaalsContact CG2-CD2 3.43Å; T275-H347 WeakPolarHBondContact CG2-CD2 3.33Å; T275-H347 PolarHBondContact OG1-NE2 2.97Å; T275-G351 CarbonylContact C-O 3.56Å; T275-G351 VanDerWaalsContact CA-O 3.27Å; T275-G351 WeakPolarHBondContact CA-O 3.35Å; T275-H352 VanDerWaalsContact CG2-CD2 3.45Å; T275-H352 WeakPolarHBondContact CG2-CD2 3.31Å |
| 276 | T | 89.1 | Confident | 83.7 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 29% | 0.288 | 39% | 0.387 | S | S | . | . | trans | -132.7 | 146 | 175.3 | 60.8 | 0 | 0 | 0 | 0 | 109.7 | Y278 G351 K353 Q356 | T276-Y278 PolarHBondContact O-N 2.78Å; T276-G351 PolarHBondContact N-O 3.35Å; T276-G351 PolarHBondContact OG1-O 2.67Å; T276-K353 HydrophobicContact CG2-CD 4.3Å; T276-K353 VanDerWaalsContact CG2-CE 3.49Å; T276-K353 HydrophobicContact CG2-CG 3.79Å; T276-Q356 PolarHBondContact OG1-NE2 3.24Å | ||
| 277 | A | 80.7 | Confident | 84 | Confident | 115 Ų | 115 | 73.5 Ų | 73.5 | 95% | 0.95 | 39% | 0.394 | S | S | * | . | trans | -70.9 | 70.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 278 | Y | 71.4 | Confident | 84.1 | Confident | 113 Ų | 113 | 74.2 Ų | 74.2 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | trans | -93.2 | 136.2 | 178.1 | -164 | -90.6 | 0 | 0 | 0 | 109.8 | T276 S280 L282 F283 | T276-Y278 PolarHBondContact O-N 2.78Å; Y278-S280 PolarHBondContact O-N 3.5Å; Y278-S280 VanDerWaalsContact O-N 3.08Å; Y278-L282 HydrophobicContact CD1-CB 4.37Å; Y278-L282 HydrophobicContact CD1-CD1 4.27Å; Y278-L282 HydrophobicContact CE1-CB 3.65Å; Y278-L282 HydrophobicContact CE1-CD1 3.52Å; Y278-L282 HydrophobicContact CE1-CG 4.22Å; Y278-F283 HydrophobicContact CD1-CD1 4.12Å; Y278-F283 AromaticContact CD1-CE1 3.23Å; Y278-F283 HydrophobicContact CD1-CE1 3.23Å; Y278-F283 HydrophobicContact CD1-CE2 4.39Å; Y278-F283 AromaticContact CD1-CZ 3.39Å; Y278-F283 HydrophobicContact CD1-CZ 3.39Å; Y278-F283 HydrophobicContact CE1-CD1 4.28Å; Y278-F283 AromaticContact CE1-CE1 3.66Å; Y278-F283 HydrophobicContact CE1-CE1 3.66Å; Y278-F283 HydrophobicContact CE1-CZ 4.28Å; Y278-F283 HydrophobicContact CG-CE1 4.13Å; Y278-F283 AromaticContact CG-CZ 3.97Å; Y278-F283 HydrophobicContact CG-CZ 3.97Å | ||
| 279 | P | 73.1 | Confident | 84.4 | Confident | 76 Ų | 76 | 79.3 Ų | 79.3 | 49% | 0.494 | 41% | 0.413 | S | S | . | . | trans | -60.1 | 114.8 | -175.4 | -24.6 | 33.6 | 0 | 0 | 0 | 112.4 | R281 L282 | P279-R281 PolarHBondContact O-N 3.01Å; P279-L282 HydrophobicContact CB-CD1 4.05Å; P279-L282 HydrophobicContact CB-CG 4.22Å; P279-L282 HydrophobicContact CG-CD1 4.1Å; P279-L282 WeakPolarHBondContact O-CB 3.41Å; P279-L282 PolarHBondContact O-N 2.66Å | ||
| 280 | S | 70.6 | Confident | 84.7 | Confident | 81 Ų | 81 | 78.4 Ų | 78.4 | 57% | 0.566 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -59.3 | -22.8 | -177.1 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | Y278 L282 F283 | Y278-S280 PolarHBondContact O-N 3.5Å; Y278-S280 VanDerWaalsContact O-N 3.08Å; S280-L282 PolarHBondContact O-N 3.12Å; S280-F283 WeakPolarHBondContact O-CB 3.44Å; S280-F283 PolarHBondContact O-N 3.28Å; S280-F283 VanDerWaalsContact O-N 3.08Å |
| 281 | R | 70.8 | Confident | 85 | Confident | 232 Ų | 232 | 79.8 Ų | 79.8 | 88% | 0.875 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -60.9 | -27.8 | 173.3 | -61.7 | -175.4 | -177 | -170.4 | 0.7 | 113.2 | P279 F283 | P279-R281 PolarHBondContact O-N 3.01Å; R281-F283 PolarHBondContact O-N 2.95Å |
| 282 | L | 74.6 | Confident | 85.1 | Confident | 97 Ų | 97 | 76.5 Ų | 76.5 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -78 | -7.3 | 177.5 | -61.2 | 173.6 | 0 | 0 | 0 | 112.8 | Y278 P279 S280 | Y278-L282 HydrophobicContact CD1-CB 4.37Å; Y278-L282 HydrophobicContact CD1-CD1 4.27Å; Y278-L282 HydrophobicContact CE1-CB 3.65Å; Y278-L282 HydrophobicContact CE1-CD1 3.52Å; Y278-L282 HydrophobicContact CE1-CG 4.22Å; P279-L282 HydrophobicContact CB-CD1 4.05Å; P279-L282 HydrophobicContact CB-CG 4.22Å; P279-L282 HydrophobicContact CG-CD1 4.1Å; P279-L282 WeakPolarHBondContact O-CB 3.41Å; P279-L282 PolarHBondContact O-N 2.66Å; S280-L282 PolarHBondContact O-N 3.12Å |
| 283 | F | 77.3 | Confident | 85.1 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 4% | 0.044 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -93.7 | -14.4 | -177.8 | -64.2 | -28.6 | 0 | 0 | 0 | 115 | Y278 S280 R281 D285 T286 A307 N308 S348 G350 | Y278-F283 HydrophobicContact CD1-CD1 4.12Å; Y278-F283 AromaticContact CD1-CE1 3.23Å; Y278-F283 HydrophobicContact CD1-CE1 3.23Å; Y278-F283 HydrophobicContact CD1-CE2 4.39Å; Y278-F283 AromaticContact CD1-CZ 3.39Å; Y278-F283 HydrophobicContact CD1-CZ 3.39Å; Y278-F283 HydrophobicContact CE1-CD1 4.28Å; Y278-F283 AromaticContact CE1-CE1 3.66Å; Y278-F283 HydrophobicContact CE1-CE1 3.66Å; Y278-F283 HydrophobicContact CE1-CZ 4.28Å; Y278-F283 HydrophobicContact CG-CE1 4.13Å; Y278-F283 AromaticContact CG-CZ 3.97Å; Y278-F283 HydrophobicContact CG-CZ 3.97Å; S280-F283 WeakPolarHBondContact O-CB 3.44Å; S280-F283 PolarHBondContact O-N 3.28Å; S280-F283 VanDerWaalsContact O-N 3.08Å; R281-F283 PolarHBondContact O-N 2.95Å; F283-D285 PolarHBondContact O-N 3.44Å; F283-T286 PolarHBondContact O-N 3.44Å; F283-A307 HydrophobicContact CB-CB 3.62Å; F283-A307 HydrophobicContact CD1-CB 3.79Å; F283-A307 HydrophobicContact CG-CB 3.82Å; F283-N308 HydrophobicContact CB-CB 4.04Å; F283-S348 WeakPolarHBondContact CE2-OG 3.34Å; F283-G350 VanDerWaalsContact CZ-O 3.23Å; F283-G350 WeakPolarHBondContact CZ-O 3.41Å |
| 284 | A | 70.9 | Confident | 84.8 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 37% | 0.372 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -48.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H306 | A284-H306 PolarHBondContact O-ND1 2.93Š|
| 285 | D | 81.5 | Confident | 84.1 | Confident | 157 Ų | 157 | 73.2 Ų | 73.2 | 84% | 0.84 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -4.1 | -176.5 | -55.7 | -54.8 | 0 | 0 | 0 | 113.8 | F283 | F283-D285 PolarHBondContact O-N 3.44Š|
| 286 | T | 88.3 | Confident | 82.9 | Confident | 58 Ų | 58 | 79.8 Ų | 79.8 | 36% | 0.356 | 42% | 0.421 | S | S | . | . | trans | -83.9 | 125.3 | 179.9 | -62.1 | 0 | 0 | 0 | 0 | 110 | F283 F288 H306 A307 | F283-T286 PolarHBondContact O-N 3.44Å; T286-F288 HydrophobicContact CG2-CD1 4.46Å; T286-F288 HydrophobicContact CG2-CE1 3.91Å; T286-F288 HydrophobicContact CG2-CZ 4.04Å; T286-H306 CarbonylContact O-C 3.52Å; T286-H306 WeakPolarHBondContact O-CA 3.47Å; T286-A307 HydrophobicContact CG2-CB 3.91Å; T286-A307 PolarHBondContact O-N 3.45Å | ||
| 287 | K | 92.1 | Very high | 82 | Confident | 114 Ų | 114 | 80.1 Ų | 80.1 | 50% | 0.496 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -115 | 135.9 | 172 | -66.8 | -173.8 | 176.5 | -164.7 | 0 | 110.9 | M304 P305 H306 | K287-M304 HydrophobicContact CB-CE 4.14Å; K287-P305 WeakPolarHBondContact CA-O 3.34Å; K287-H306 WeakPolarHBondContact CE-CE1 3.41Å; K287-H306 WeakPolarHBondContact CE-NE2 3.44Å; K287-H306 PolarHBondContact NZ-NE2 2.94Å |
| 288 | F | 92.8 | Very high | 81.5 | Confident | 27 Ų | 27 | 80 Ų | 80 | 12% | 0.118 | 42% | 0.423 | C | S | . | . | trans | -98.4 | 137.1 | 176 | -62.3 | -58.8 | 0 | 0 | 0 | 110.9 | T286 V290 M304 P305 A307 L349 F355 | T286-F288 HydrophobicContact CG2-CD1 4.46Å; T286-F288 HydrophobicContact CG2-CE1 3.91Å; T286-F288 HydrophobicContact CG2-CZ 4.04Å; F288-V290 HydrophobicContact CB-CG2 3.93Å; F288-V290 PolarHBondContact O-N 2.81Å; F288-M304 CarbonylContact O-C 3.57Å; F288-M304 VanDerWaalsContact O-CA 3.29Å; F288-M304 WeakPolarHBondContact O-CA 3.31Å; F288-P305 PolarHBondContact N-O 3.02Å; F288-P305 WeakPolarHBondContact O-CD 3.44Å; F288-A307 HydrophobicContact CD2-CB 4.01Å; F288-A307 VanDerWaalsContact CE2-CA 3.46Å; F288-A307 HydrophobicContact CE2-CB 3.23Å; F288-A307 HydrophobicContact CZ-CB 3.62Å; F288-L349 HydrophobicContact CD2-CB 4.04Å; F288-L349 HydrophobicContact CE2-CB 4.05Å; F288-F355 HydrophobicContact CB-CD1 3.95Å; F288-F355 HydrophobicContact CB-CE1 4.09Å; F288-F355 HydrophobicContact CD1-CB 4.47Å; F288-F355 AromaticContact CD1-CD1 3.93Å; F288-F355 HydrophobicContact CD1-CD1 3.93Å; F288-F355 HydrophobicContact CD2-CB 4.41Å; F288-F355 AromaticContact CD2-CD1 3.32Å; F288-F355 HydrophobicContact CD2-CD1 3.32Å; F288-F355 AromaticContact CD2-CE1 3.89Å; F288-F355 HydrophobicContact CD2-CE1 3.89Å; F288-F355 HydrophobicContact CD2-CG 4.19Å; F288-F355 HydrophobicContact CE1-CB 3.99Å; F288-F355 HydrophobicContact CE1-CD1 4.25Å; F288-F355 WeakPolarHBondContact CE1-O 3.48Å; F288-F355 HydrophobicContact CE2-CB 3.87Å; F288-F355 AromaticContact CE2-CD1 3.64Å; F288-F355 HydrophobicContact CE2-CD1 3.64Å; F288-F355 HydrophobicContact CE2-CG 4.05Å; F288-F355 AromaticContact CG-CD1 3.46Å; F288-F355 HydrophobicContact CG-CD1 3.46Å; F288-F355 VanDerWaalsContact CG-CD1 3.46Å; F288-F355 HydrophobicContact CG-CE1 4.06Å; F288-F355 HydrophobicContact CZ-CB 3.67Å; F288-F355 HydrophobicContact CZ-CD1 4.13Å; F288-F355 HydrophobicContact CZ-CG 4.33Å | ||
| 289 | R | 94.8 | Very high | 81.8 | Confident | 124 Ų | 124 | 78.9 Ų | 78.9 | 47% | 0.468 | 42% | 0.422 | S | S | . | . | trans | -85.3 | 106.5 | 170.1 | -177.9 | 166.6 | -88.7 | -127.7 | -5.1 | 109.2 | L302 M304 V361 I362 | R289-L302 HydrophobicContact CG-CD1 3.79Å; R289-M304 HydrophobicContact CB-CE 4.09Å; R289-M304 HydrophobicContact CB-SD 3.66Å; R289-M304 HydrophobicContact CG-SD 3.81Å; R289-V361 HydrophobicContact CG-CG1 4.24Å; R289-V361 HydrophobicContact CG-CG2 3.99Å; R289-V361 WeakPolarHBondContact O-CA 3.48Å; R289-I362 PolarHBondContact O-N 3.02Å | ||
| 290 | V | 95.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.6 | -174 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | F288 I292 L302 L303 P305 F355 I362 L364 | F288-V290 HydrophobicContact CB-CG2 3.93Å; F288-V290 PolarHBondContact O-N 2.81Å; V290-I292 HydrophobicContact CB-CD1 4.46Å; V290-I292 HydrophobicContact CG1-CD1 3.88Å; V290-I292 HydrophobicContact CG1-CG1 4Å; V290-L302 WeakPolarHBondContact O-CA 3.5Å; V290-L303 PolarHBondContact N-O 2.58Å; V290-L303 PolarHBondContact O-N 2.84Å; V290-P305 HydrophobicContact CB-CG 4.48Å; V290-P305 HydrophobicContact CG2-CG 3.79Å; V290-F355 HydrophobicContact CG2-CE1 3.98Å; V290-I362 CarbonylContact C-O 3.45Å; V290-I362 WeakPolarHBondContact CA-O 3.33Å; V290-L364 HydrophobicContact CG1-CB 4.49Å; V290-L364 HydrophobicContact CG1-CD1 3.63Å; V290-L364 HydrophobicContact CG1-CG 3.86Å |
| 291 | K | 95.3 | Very high | 83.5 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 33% | 0.326 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.4 | 167.1 | -79.2 | 179 | 171.4 | -167.9 | 0 | 108.6 | L300 L301 L302 V361 I362 Q363 L364 | K291-L300 HydrophobicContact CB-CD1 4.35Å; K291-L300 HydrophobicContact CD-CD2 4.09Å; K291-L300 HydrophobicContact CG-CD2 4.37Å; K291-L301 CarbonylContact C-O 3.55Å; K291-L301 VanDerWaalsContact CA-O 3.31Å; K291-L301 WeakPolarHBondContact CA-O 3.27Å; K291-L302 HydrophobicContact CG-CD1 3.75Å; K291-V361 HydrophobicContact CB-CG1 4.25Å; K291-V361 HydrophobicContact CD-CG1 3.78Å; K291-V361 HydrophobicContact CG-CG1 3.73Å; K291-I362 PolarHBondContact N-O 3.12Å; K291-Q363 HydrophobicContact CB-CG 4.19Å; K291-Q363 HydrophobicContact CD-CG 4.46Å; K291-Q363 WeakPolarHBondContact O-CA 3.3Å; K291-L364 PolarHBondContact O-N 2.93Å |
| 292 | I | 95.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.4 | 176.2 | -63.2 | 113.6 | 0 | 0 | 0 | 109.3 | V290 I294 L300 L301 L303 I318 L364 L366 | V290-I292 HydrophobicContact CB-CD1 4.46Å; V290-I292 HydrophobicContact CG1-CD1 3.88Å; V290-I292 HydrophobicContact CG1-CG1 4Å; I292-I294 HydrophobicContact CG2-CG1 4.06Å; I292-L300 WeakPolarHBondContact O-CA 3.22Å; I292-L301 HydrophobicContact CB-CB 4.33Å; I292-L301 PolarHBondContact N-O 2.97Å; I292-L301 PolarHBondContact O-N 2.95Å; I292-L303 HydrophobicContact CD1-CB 4.17Å; I292-L303 HydrophobicContact CD1-CD1 3.65Å; I292-L303 HydrophobicContact CD1-CG 3.81Å; I292-I318 HydrophobicContact CB-CD1 4.47Å; I292-I318 HydrophobicContact CD1-CD1 3.85Å; I292-I318 HydrophobicContact CD1-CG1 4.09Å; I292-I318 HydrophobicContact CG1-CD1 3.82Å; I292-I318 HydrophobicContact CG1-CG1 4.45Å; I292-I318 HydrophobicContact CG2-CD1 4.05Å; I292-I318 HydrophobicContact CG2-CG2 4.28Å; I292-L364 WeakPolarHBondContact CA-O 3.46Å; I292-L364 HydrophobicContact CG1-CB 4.41Å; I292-L366 HydrophobicContact CG2-CB 4.12Å |
| 293 | S | 92.4 | Very high | 85.6 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 153.3 | 161 | 47 | 0 | 0 | 0 | 0 | 110.1 | L364 H365 L366 | S293-L364 PolarHBondContact N-O 2.88Å; S293-L364 PolarHBondContact OG-O 2.9Å; S293-H365 WeakPolarHBondContact O-CA 3.28Å; S293-H365 PolarHBondContact OG-CD2 3.38Å; S293-L366 PolarHBondContact O-N 3.31Å |
| 294 | I | 88.9 | Confident | 86.4 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.6 | -173.7 | -57.4 | 168.6 | 0 | 0 | 0 | 108.5 | I292 N296 S297 L301 I318 C322 L366 | I292-I294 HydrophobicContact CG2-CG1 4.06Å; I294-N296 PolarHBondContact O-N 2.7Å; I294-S297 PolarHBondContact O-N 3.28Å; I294-S297 VanDerWaalsContact O-N 3.16Å; I294-L301 HydrophobicContact CD1-CD1 4.27Å; I294-L301 HydrophobicContact CD1-CG 4.4Å; I294-I318 HydrophobicContact CD1-CG2 4.25Å; I294-C322 HydrophobicContact CD1-CB 4.37Å; I294-C322 WeakPolarHBondContact CD1-SG 3.3Å; I294-L366 HydrophobicContact CG1-CB 4.32Å; I294-L366 HydrophobicContact CG2-CD2 4.48Å |
| 295 | D | 77.9 | Confident | 87.6 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 34% | 0.337 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | 128.8 | 174.5 | -88.8 | -34.9 | 0 | 0 | 0 | 111.7 | S297 H365 L366 Q367 | D295-S297 VanDerWaalsContact C-N 3.26Å; D295-S297 PolarHBondContact O-N 2.81Å; D295-H365 IonicContact OD1-CE1 2.67Å; D295-H365 PolarHBondContact OD1-CE1 2.89Å; D295-H365 IonicContact OD1-NE2 3.22Å; D295-H365 PolarHBondContact OD1-NE2 3.36Å; D295-L366 PolarHBondContact N-O 2.91Å; D295-Q367 VanDerWaalsContact OD2-CA 3.28Å; D295-Q367 WeakPolarHBondContact OD2-CA 3.35Å; D295-Q367 WeakPolarHBondContact OD2-CB 3.41Å |
| 296 | N | 66.4 | Low | 88.1 | Confident | 174 Ų | 174 | 63.8 Ų | 63.8 | 93% | 0.93 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 14 | 176.7 | -45.6 | -61.7 | 0 | 0 | 0 | 116.8 | I294 | I294-N296 PolarHBondContact O-N 2.7Š|
| 297 | S | 70.5 | Confident | 88.2 | Confident | 54 Ų | 54 | 61 Ų | 61 | 38% | 0.378 | 32% | 0.322 | S | S | . | . | trans | -122.7 | 139.8 | 175.4 | -168.5 | 0 | 0 | 0 | 0 | 112.6 | I294 D295 Q299 | I294-S297 PolarHBondContact O-N 3.28Å; I294-S297 VanDerWaalsContact O-N 3.16Å; D295-S297 VanDerWaalsContact C-N 3.26Å; D295-S297 PolarHBondContact O-N 2.81Å; S297-Q299 PolarHBondContact O-N 3.3Å; S297-Q299 WeakPolarHBondContact OG-CB 3.12Å; S297-Q299 PolarHBondContact OG-N 3.39Å | ||
| 298 | A | 71.3 | Confident | 88.2 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 92% | 0.917 | 32% | 0.319 | S | S | * | . | trans | -75.1 | -5.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L300 | A298-L300 PolarHBondContact O-N 3.1Š| ||
| 299 | Q | 77.4 | Confident | 88.2 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | trans | -69.9 | 124.3 | 178.5 | -169.1 | 176.7 | 15.8 | 0 | 0 | 110.7 | S297 L301 | S297-Q299 PolarHBondContact O-N 3.3Å; S297-Q299 WeakPolarHBondContact OG-CB 3.12Å; S297-Q299 PolarHBondContact OG-N 3.39Å; Q299-L301 HydrophobicContact CG-CD2 4.17Å | ||
| 300 | L | 86.8 | Confident | 88.2 | Confident | 100 Ų | 100 | 58.2 Ų | 58.2 | 52% | 0.524 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 111.2 | 172.9 | -173.5 | 78 | 0 | 0 | 0 | 108.2 | K291 I292 A298 | K291-L300 HydrophobicContact CB-CD1 4.35Å; K291-L300 HydrophobicContact CD-CD2 4.09Å; K291-L300 HydrophobicContact CG-CD2 4.37Å; I292-L300 WeakPolarHBondContact O-CA 3.22Å; A298-L300 PolarHBondContact O-N 3.1Å |
| 301 | L | 92.1 | Very high | 88.2 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.12 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 141.6 | 174.5 | -61.3 | -177.4 | 0 | 0 | 0 | 110.3 | K291 I292 I294 Q299 I318 L321 | K291-L301 CarbonylContact C-O 3.55Å; K291-L301 VanDerWaalsContact CA-O 3.31Å; K291-L301 WeakPolarHBondContact CA-O 3.27Å; I292-L301 HydrophobicContact CB-CB 4.33Å; I292-L301 PolarHBondContact N-O 2.97Å; I292-L301 PolarHBondContact O-N 2.95Å; I294-L301 HydrophobicContact CD1-CD1 4.27Å; I294-L301 HydrophobicContact CD1-CG 4.4Å; Q299-L301 HydrophobicContact CG-CD2 4.17Å; L301-I318 HydrophobicContact CD1-CG2 3.99Å; L301-L321 HydrophobicContact CD1-CB 4.31Å; L301-L321 HydrophobicContact CD1-CD1 4.35Å |
| 302 | L | 94.2 | Very high | 88.2 | Confident | 88 Ų | 88 | 58 Ų | 58 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 103 | 172 | -178.9 | 70.1 | 0 | 0 | 0 | 108.5 | R289 V290 K291 | R289-L302 HydrophobicContact CG-CD1 3.79Å; V290-L302 WeakPolarHBondContact O-CA 3.5Å; K291-L302 HydrophobicContact CG-CD1 3.75Å |
| 303 | L | 95.1 | Very high | 88.1 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 157 | 179.8 | -57.3 | -175.1 | 0 | 0 | 0 | 111 | V290 I292 L314 I318 L321 | V290-L303 PolarHBondContact N-O 2.58Å; V290-L303 PolarHBondContact O-N 2.84Å; I292-L303 HydrophobicContact CD1-CB 4.17Å; I292-L303 HydrophobicContact CD1-CD1 3.65Å; I292-L303 HydrophobicContact CD1-CG 3.81Å; L303-L314 HydrophobicContact CD1-CD1 3.84Å; L303-I318 HydrophobicContact CD1-CG1 3.84Å; L303-L321 HydrophobicContact CD1-CD1 4.39Å; L303-L321 HydrophobicContact CD2-CD1 3.84Å |
| 304 | M | 95.1 | Very high | 88.2 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 41% | 0.409 | 32% | 0.322 | S | S | . | . | trans | -122.9 | 52.3 | 177.5 | -65.3 | -65.9 | -46.5 | 0 | 0 | 111.8 | K287 F288 R289 | K287-M304 HydrophobicContact CB-CE 4.14Å; F288-M304 CarbonylContact O-C 3.57Å; F288-M304 VanDerWaalsContact O-CA 3.29Å; F288-M304 WeakPolarHBondContact O-CA 3.31Å; R289-M304 HydrophobicContact CB-CE 4.09Å; R289-M304 HydrophobicContact CB-SD 3.66Å; R289-M304 HydrophobicContact CG-SD 3.81Å | ||
| 305 | P | 94.6 | Very high | 88.5 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | trans | -62.6 | 148.4 | -175.6 | 28.5 | -37.4 | 0 | 0 | 0 | 112 | K287 F288 V290 Y309 L314 L349 | K287-P305 WeakPolarHBondContact CA-O 3.34Å; F288-P305 PolarHBondContact N-O 3.02Å; F288-P305 WeakPolarHBondContact O-CD 3.44Å; V290-P305 HydrophobicContact CB-CG 4.48Å; V290-P305 HydrophobicContact CG2-CG 3.79Å; P305-Y309 HydrophobicContact CB-CD1 4.02Å; P305-Y309 HydrophobicContact CB-CE1 4.46Å; P305-Y309 HydrophobicContact CB-CG 4.17Å; P305-L314 HydrophobicContact CB-CD1 4.31Å; P305-L314 HydrophobicContact CG-CD1 4.23Å; P305-L349 HydrophobicContact CB-CD1 3.67Å; P305-L349 HydrophobicContact CG-CD1 3.53Å | ||
| 306 | H | 92 | Very high | 89.2 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -69.2 | 152.2 | 171.6 | -73.7 | -107 | 0 | 0 | 0 | 110.6 | A284 T286 K287 N308 Y309 | A284-H306 PolarHBondContact O-ND1 2.93Å; T286-H306 CarbonylContact O-C 3.52Å; T286-H306 WeakPolarHBondContact O-CA 3.47Å; K287-H306 WeakPolarHBondContact CE-CE1 3.41Å; K287-H306 WeakPolarHBondContact CE-NE2 3.44Å; K287-H306 PolarHBondContact NZ-NE2 2.94Å; H306-N308 WeakPolarHBondContact CB-OD1 3.34Å; H306-N308 PolarHBondContact O-N 2.92Å; H306-N308 VanDerWaalsContact O-N 3.16Å; H306-Y309 HydrophobicContact CB-CD2 4.17Å; H306-Y309 WeakPolarHBondContact O-CB 3.49Å; H306-Y309 PolarHBondContact O-N 3.33Å; H306-Y309 VanDerWaalsContact O-N 3.14Å |
| 307 | A | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F283 T286 F288 G350 | F283-A307 HydrophobicContact CB-CB 3.62Å; F283-A307 HydrophobicContact CD1-CB 3.79Å; F283-A307 HydrophobicContact CG-CB 3.82Å; T286-A307 HydrophobicContact CG2-CB 3.91Å; T286-A307 PolarHBondContact O-N 3.45Å; F288-A307 HydrophobicContact CD2-CB 4.01Å; F288-A307 VanDerWaalsContact CE2-CA 3.46Å; F288-A307 HydrophobicContact CE2-CB 3.23Å; F288-A307 HydrophobicContact CZ-CB 3.62Å; A307-G350 PolarHBondContact O-N 3.49Å |
| 308 | N | 91.4 | Very high | 91.4 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.9 | 175.8 | 67 | -21.2 | 0 | 0 | 0 | 114.3 | F283 H306 L310 | F283-N308 HydrophobicContact CB-CB 4.04Å; H306-N308 WeakPolarHBondContact CB-OD1 3.34Å; H306-N308 PolarHBondContact O-N 2.92Å; H306-N308 VanDerWaalsContact O-N 3.16Å; N308-L310 PolarHBondContact O-N 3.12Å |
| 309 | Y | 92.8 | Very high | 92.3 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | trans | -55.2 | 136.7 | 174.4 | -99.6 | -131.4 | 0 | 0 | 0 | 111 | P305 H306 D313 L314 E317 S348 L349 | P305-Y309 HydrophobicContact CB-CD1 4.02Å; P305-Y309 HydrophobicContact CB-CE1 4.46Å; P305-Y309 HydrophobicContact CB-CG 4.17Å; H306-Y309 HydrophobicContact CB-CD2 4.17Å; H306-Y309 WeakPolarHBondContact O-CB 3.49Å; H306-Y309 PolarHBondContact O-N 3.33Å; H306-Y309 VanDerWaalsContact O-N 3.14Å; Y309-D313 HydrophobicContact CD1-CB 4.47Å; Y309-L314 HydrophobicContact CD1-CB 4.4Å; Y309-E317 VanDerWaalsContact CE1-OE2 3.24Å; Y309-E317 WeakPolarHBondContact CE1-OE2 3.21Å; Y309-E317 PolarHBondContact OH-OE2 3.49Å; Y309-S348 CarbonylContact O-C 3.47Å; Y309-S348 WeakPolarHBondContact O-CA 3.34Å; Y309-L349 PolarHBondContact O-N 3.22Å | ||
| 310 | L | 94.4 | Very high | 92.9 | Very high | 49 Ų | 49 | 46 Ų | 46 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -78.4 | 151 | 167.8 | -51.4 | 176.4 | 0 | 0 | 0 | 109.8 | N308 K312 D313 L314 H347 | N308-L310 PolarHBondContact O-N 3.12Å; L310-K312 VanDerWaalsContact C-N 3.26Å; L310-K312 HydrophobicContact CB-CG 4.07Å; L310-K312 VanDerWaalsContact CD1-CE 3.44Å; L310-K312 PolarHBondContact O-N 3.31Å; L310-D313 VanDerWaalsContact CB-OD2 3.24Å; L310-D313 WeakPolarHBondContact CB-OD2 3.37Å; L310-D313 WeakPolarHBondContact CG-OD2 3.48Å; L310-D313 PolarHBondContact N-OD2 3.42Å; L310-D313 PolarHBondContact O-N 3.16Å; L310-L314 PolarHBondContact O-N 2.83Å; L310-L314 VanDerWaalsContact O-N 3.11Å; L310-H347 WeakPolarHBondContact CA-O 3.44Å |
| 311 | V | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -39 | 179.4 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | D313 L314 I315 L334 L343 Q344 M345 H347 L349 | V311-D313 VanDerWaalsContact C-N 3.32Å; V311-D313 PolarHBondContact O-N 3.36Å; V311-L314 PolarHBondContact O-N 2.96Å; V311-I315 HydrophobicContact CG1-CD1 4.03Å; V311-I315 WeakPolarHBondContact O-CG1 3.28Å; V311-I315 PolarHBondContact O-N 3.29Å; V311-L334 HydrophobicContact CG1-CD1 4.32Å; V311-L343 HydrophobicContact CB-CB 4.41Å; V311-L343 HydrophobicContact CG1-CB 3.77Å; V311-L343 HydrophobicContact CG2-CB 3.7Å; V311-L343 HydrophobicContact CG2-CD1 4.19Å; V311-Q344 WeakPolarHBondContact CB-O 3.43Å; V311-Q344 WeakPolarHBondContact CG2-O 3.21Å; V311-M345 PolarHBondContact N-O 3.36Å; V311-H347 PolarHBondContact N-O 3.31Å; V311-H347 VanDerWaalsContact N-O 3.11Å; V311-L349 HydrophobicContact CG2-CD2 3.91Å |
| 312 | K | 95.3 | Very high | 92.3 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -33.3 | 174.8 | 66.5 | -170.2 | 176.5 | -169.6 | 0 | 113.9 | L310 I315 A316 M345 D346 | L310-K312 VanDerWaalsContact C-N 3.26Å; L310-K312 HydrophobicContact CB-CG 4.07Å; L310-K312 VanDerWaalsContact CD1-CE 3.44Å; L310-K312 PolarHBondContact O-N 3.31Å; K312-I315 PolarHBondContact O-N 3.42Å; K312-A316 PolarHBondContact O-N 3.12Å; K312-M345 HydrophobicContact CB-CB 4.36Å; K312-M345 PolarHBondContact N-O 2.97Å; K312-D346 IonicContact NZ-OD1 3.49Å; K312-D346 PolarHBondContact NZ-OD1 2.86Å |
| 313 | D | 94.1 | Very high | 91.2 | Very high | 72 Ų | 72 | 44.1 Ų | 44.1 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -73.6 | -41.1 | 179.3 | -51.4 | -28.9 | 0 | 0 | 0 | 110.1 | Y309 L310 V311 I315 A316 E317 | Y309-D313 HydrophobicContact CD1-CB 4.47Å; L310-D313 VanDerWaalsContact CB-OD2 3.24Å; L310-D313 WeakPolarHBondContact CB-OD2 3.37Å; L310-D313 WeakPolarHBondContact CG-OD2 3.48Å; L310-D313 PolarHBondContact N-OD2 3.42Å; L310-D313 PolarHBondContact O-N 3.16Å; V311-D313 VanDerWaalsContact C-N 3.32Å; V311-D313 PolarHBondContact O-N 3.36Å; D313-I315 VanDerWaalsContact C-N 3.34Å; D313-I315 PolarHBondContact O-N 2.7Å; D313-A316 PolarHBondContact O-N 2.98Å; D313-E317 PolarHBondContact O-N 3.33Å |
| 314 | L | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 171.9 | 179 | 62.5 | 0 | 0 | 0 | 111.6 | L303 P305 Y309 L310 V311 E317 I318 L334 L349 L364 | L303-L314 HydrophobicContact CD1-CD1 3.84Å; P305-L314 HydrophobicContact CB-CD1 4.31Å; P305-L314 HydrophobicContact CG-CD1 4.23Å; Y309-L314 HydrophobicContact CD1-CB 4.4Å; L310-L314 PolarHBondContact O-N 2.83Å; L310-L314 VanDerWaalsContact O-N 3.11Å; V311-L314 PolarHBondContact O-N 2.96Å; L314-E317 PolarHBondContact O-N 3.09Å; L314-I318 HydrophobicContact CD1-CD1 4.16Å; L314-I318 HydrophobicContact CD1-CG1 4.41Å; L314-I318 HydrophobicContact CG-CD1 3.9Å; L314-I318 WeakPolarHBondContact O-CD1 3.5Å; L314-I318 WeakPolarHBondContact O-CG1 3.41Å; L314-I318 PolarHBondContact O-N 3.46Å; L314-L334 HydrophobicContact CD2-CD1 3.8Å; L314-L334 HydrophobicContact CG-CD1 4.11Å; L314-L349 HydrophobicContact CD2-CD1 4.06Å; L314-L349 HydrophobicContact CD2-CD2 3.88Å; L314-L364 HydrophobicContact CD2-CD1 4.26Å |
| 315 | I | 94.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 174.3 | -71.5 | 168 | 0 | 0 | 0 | 110.5 | V311 K312 D313 E317 I318 L319 P329 L334 L366 | V311-I315 HydrophobicContact CG1-CD1 4.03Å; V311-I315 WeakPolarHBondContact O-CG1 3.28Å; V311-I315 PolarHBondContact O-N 3.29Å; K312-I315 PolarHBondContact O-N 3.42Å; D313-I315 VanDerWaalsContact C-N 3.34Å; D313-I315 PolarHBondContact O-N 2.7Å; I315-E317 PolarHBondContact O-N 3.06Å; I315-I318 PolarHBondContact O-N 3.22Å; I315-L319 HydrophobicContact CG2-CD1 3.71Å; I315-L319 HydrophobicContact CG2-CG 4.23Å; I315-L319 VanDerWaalsContact O-CG 3.27Å; I315-L319 WeakPolarHBondContact O-CG 3.23Å; I315-L319 PolarHBondContact O-N 3.34Å; I315-P329 HydrophobicContact CB-CB 4.48Å; I315-P329 HydrophobicContact CG2-CB 3.91Å; I315-L334 HydrophobicContact CD1-CD1 4.29Å; I315-L334 HydrophobicContact CD1-CG 4.2Å; I315-L334 HydrophobicContact CG1-CD1 3.64Å; I315-L334 HydrophobicContact CG1-CG 3.79Å; I315-L366 HydrophobicContact CG1-CD1 4.17Å; I315-L366 HydrophobicContact CG2-CD1 4.31Å |
| 316 | A | 92.4 | Very high | 86.5 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K312 D313 L319 L320 P329 | K312-A316 PolarHBondContact O-N 3.12Å; D313-A316 PolarHBondContact O-N 2.98Å; A316-L319 PolarHBondContact O-N 2.91Å; A316-L320 WeakPolarHBondContact O-CB 3.2Å; A316-L320 PolarHBondContact O-N 3.24Å; A316-P329 HydrophobicContact CB-CG 3.87Å |
| 317 | E | 92.6 | Very high | 85.6 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 174.9 | -172.5 | -179.3 | 152.5 | 0 | 0 | 111.7 | Y309 D313 L314 I315 L320 L321 | Y309-E317 VanDerWaalsContact CE1-OE2 3.24Å; Y309-E317 WeakPolarHBondContact CE1-OE2 3.21Å; Y309-E317 PolarHBondContact OH-OE2 3.49Å; D313-E317 PolarHBondContact O-N 3.33Å; L314-E317 PolarHBondContact O-N 3.09Å; I315-E317 PolarHBondContact O-N 3.06Å; E317-L320 PolarHBondContact O-N 3.31Å; E317-L321 HydrophobicContact CG-CD1 4.15Å; E317-L321 WeakPolarHBondContact O-CB 3.32Å; E317-L321 VanDerWaalsContact O-CG 3.26Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.26Å |
| 318 | I | 91.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 177.5 | -64.8 | 157.3 | 0 | 0 | 0 | 111.1 | I292 I294 L301 L303 L314 I315 L320 L321 C322 L334 L366 | I292-I318 HydrophobicContact CB-CD1 4.47Å; I292-I318 HydrophobicContact CD1-CD1 3.85Å; I292-I318 HydrophobicContact CD1-CG1 4.09Å; I292-I318 HydrophobicContact CG1-CD1 3.82Å; I292-I318 HydrophobicContact CG1-CG1 4.45Å; I292-I318 HydrophobicContact CG2-CD1 4.05Å; I292-I318 HydrophobicContact CG2-CG2 4.28Å; I294-I318 HydrophobicContact CD1-CG2 4.25Å; L301-I318 HydrophobicContact CD1-CG2 3.99Å; L303-I318 HydrophobicContact CD1-CG1 3.84Å; L314-I318 HydrophobicContact CD1-CD1 4.16Å; L314-I318 HydrophobicContact CD1-CG1 4.41Å; L314-I318 HydrophobicContact CG-CD1 3.9Å; L314-I318 WeakPolarHBondContact O-CD1 3.5Å; L314-I318 WeakPolarHBondContact O-CG1 3.41Å; L314-I318 PolarHBondContact O-N 3.46Å; I315-I318 PolarHBondContact O-N 3.22Å; I318-L320 VanDerWaalsContact C-N 3.35Å; I318-L320 PolarHBondContact O-N 2.7Å; I318-L321 PolarHBondContact O-N 3.49Å; I318-C322 WeakPolarHBondContact O-CB 3.45Å; I318-C322 PolarHBondContact O-N 2.72Å; I318-C322 VanDerWaalsContact O-N 3.11Å; I318-L334 HydrophobicContact CD1-CD1 4.34Å; I318-L334 HydrophobicContact CD1-CD2 4.08Å; I318-L366 HydrophobicContact CG2-CD2 3.73Å |
| 319 | L | 89.9 | Confident | 84.7 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 179.9 | -68.3 | 170.9 | 0 | 0 | 0 | 111.3 | I315 A316 L321 C322 A323 L327 Y332 L366 | I315-L319 HydrophobicContact CG2-CD1 3.71Å; I315-L319 HydrophobicContact CG2-CG 4.23Å; I315-L319 VanDerWaalsContact O-CG 3.27Å; I315-L319 WeakPolarHBondContact O-CG 3.23Å; I315-L319 PolarHBondContact O-N 3.34Å; A316-L319 PolarHBondContact O-N 2.91Å; L319-L321 PolarHBondContact O-N 2.91Å; L319-C322 PolarHBondContact O-N 2.93Å; L319-A323 WeakPolarHBondContact O-CB 3.16Å; L319-A323 PolarHBondContact O-N 3.45Å; L319-L327 HydrophobicContact CB-CB 4.46Å; L319-L327 HydrophobicContact CD1-CB 4.05Å; L319-L327 HydrophobicContact CD2-CB 4.22Å; L319-L327 HydrophobicContact CD2-CD1 3.88Å; L319-L327 HydrophobicContact CG-CB 4.47Å; L319-Y332 HydrophobicContact CD1-CD2 3.75Å; L319-Y332 HydrophobicContact CD1-CE2 4.15Å; L319-Y332 HydrophobicContact CD1-CG 4.32Å; L319-Y332 HydrophobicContact CD2-CD1 4.18Å; L319-Y332 HydrophobicContact CD2-CD2 3.85Å; L319-Y332 HydrophobicContact CD2-CE1 4.04Å; L319-Y332 HydrophobicContact CD2-CE2 3.73Å; L319-Y332 HydrophobicContact CD2-CG 4.09Å; L319-Y332 HydrophobicContact CG-CD2 4.42Å; L319-L366 HydrophobicContact CD2-CD2 4.03Å |
| 320 | L | 88.4 | Confident | 84.3 | Confident | 124 Ų | 124 | 62.9 Ų | 62.9 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 174.4 | -178.3 | 64.2 | 0 | 0 | 0 | 112.1 | A316 E317 I318 C322 | A316-L320 WeakPolarHBondContact O-CB 3.2Å; A316-L320 PolarHBondContact O-N 3.24Å; E317-L320 PolarHBondContact O-N 3.31Å; I318-L320 VanDerWaalsContact C-N 3.35Å; I318-L320 PolarHBondContact O-N 2.7Å; L320-C322 VanDerWaalsContact C-N 3.27Å; L320-C322 PolarHBondContact O-N 3.34Å |
| 321 | L | 87.1 | Confident | 84.1 | Confident | 89 Ų | 89 | 64 Ų | 64 | 47% | 0.466 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.9 | -20.2 | 178.6 | -71.6 | 170.8 | 0 | 0 | 0 | 114.1 | L301 L303 E317 I318 L319 | L301-L321 HydrophobicContact CD1-CB 4.31Å; L301-L321 HydrophobicContact CD1-CD1 4.35Å; L303-L321 HydrophobicContact CD1-CD1 4.39Å; L303-L321 HydrophobicContact CD2-CD1 3.84Å; E317-L321 HydrophobicContact CG-CD1 4.15Å; E317-L321 WeakPolarHBondContact O-CB 3.32Å; E317-L321 VanDerWaalsContact O-CG 3.26Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.26Å; I318-L321 PolarHBondContact O-N 3.49Å; L319-L321 PolarHBondContact O-N 2.91Å |
| 322 | C | 80.9 | Confident | 83.9 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 30% | 0.297 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -110.9 | -38.8 | -172.2 | -75.1 | 0 | 0 | 0 | 0 | 115 | I294 I318 L319 L320 | I294-C322 HydrophobicContact CD1-CB 4.37Å; I294-C322 WeakPolarHBondContact CD1-SG 3.3Å; I318-C322 WeakPolarHBondContact O-CB 3.45Å; I318-C322 PolarHBondContact O-N 2.72Å; I318-C322 VanDerWaalsContact O-N 3.11Å; L319-C322 PolarHBondContact O-N 2.93Å; L320-C322 VanDerWaalsContact C-N 3.27Å; L320-C322 PolarHBondContact O-N 3.34Å |
| 323 | A | 71.3 | Confident | 83.8 | Confident | 38 Ų | 38 | 62.7 Ų | 62.7 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -100.9 | -23.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L319 E325 L327 | L319-A323 WeakPolarHBondContact O-CB 3.16Å; L319-A323 PolarHBondContact O-N 3.45Å; A323-E325 HydrophobicContact CB-CB 4.47Å; A323-E325 PolarHBondContact O-N 2.79Å; A323-L327 HydrophobicContact CB-CD1 3.5Å; A323-L327 HydrophobicContact CB-CG 4.28Å |
| 324 | N | 65.5 | Low | 83.8 | Confident | 145 Ų | 145 | 59.2 Ų | 59.2 | 78% | 0.775 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 54.7 | 8.2 | -166 | -57.5 | -67.8 | 0 | 0 | 0 | 115 | ||
| 325 | E | 59.2 | Low | 83.8 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -124 | 146.8 | -177.4 | -75.3 | -69.2 | 164.3 | 0 | 0 | 109.6 | A323 L327 | A323-E325 HydrophobicContact CB-CB 4.47Å; A323-E325 PolarHBondContact O-N 2.79Å; E325-L327 VanDerWaalsContact C-N 3.27Å; E325-L327 PolarHBondContact O-N 2.69Å |
| 326 | P | 59.6 | Low | 83.8 | Confident | 128 Ų | 128 | 60 Ų | 60 | 83% | 0.831 | 33% | 0.328 | S | S | * | . | trans | -76.7 | 74.9 | -177.5 | 32.6 | -34.5 | 0 | 0 | 0 | 111.7 | ||||
| 327 | L | 74.2 | Confident | 83.7 | Confident | 65 Ų | 65 | 60 Ų | 60 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | trans | -69.9 | 141.5 | 170.6 | -69.1 | 170.2 | 0 | 0 | 0 | 110.9 | L319 A323 E325 P329 Y332 | L319-L327 HydrophobicContact CB-CB 4.46Å; L319-L327 HydrophobicContact CD1-CB 4.05Å; L319-L327 HydrophobicContact CD2-CB 4.22Å; L319-L327 HydrophobicContact CD2-CD1 3.88Å; L319-L327 HydrophobicContact CG-CB 4.47Å; A323-L327 HydrophobicContact CB-CD1 3.5Å; A323-L327 HydrophobicContact CB-CG 4.28Å; E325-L327 VanDerWaalsContact C-N 3.27Å; E325-L327 PolarHBondContact O-N 2.69Å; L327-P329 WeakPolarHBondContact O-CD 3.33Å; L327-Y332 HydrophobicContact CB-CE2 4.25Å; L327-Y332 HydrophobicContact CD1-CE2 4.42Å | ||
| 328 | S | 82.3 | Confident | 83.5 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | trans | -74.4 | 126.2 | -178.3 | 87.2 | 0 | 0 | 0 | 0 | 110.9 | K330 E331 | S328-K330 PolarHBondContact O-N 3.38Å; S328-K330 VanDerWaalsContact O-N 3.12Å; S328-E331 WeakPolarHBondContact CB-OE1 3.32Å; S328-E331 PolarHBondContact O-N 2.79Å; S328-E331 VanDerWaalsContact O-N 3.13Å; S328-E331 VanDerWaalsContact OG-CG 3.3Å; S328-E331 WeakPolarHBondContact OG-CG 3.38Å; S328-E331 PolarHBondContact OG-OE1 2.72Å | ||
| 329 | P | 80.8 | Confident | 83.4 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -62.1 | -23.6 | -179.3 | -27.3 | 36.5 | 0 | 0 | 0 | 113.9 | I315 A316 L327 E331 Y332 | I315-P329 HydrophobicContact CB-CB 4.48Å; I315-P329 HydrophobicContact CG2-CB 3.91Å; A316-P329 HydrophobicContact CB-CG 3.87Å; L327-P329 WeakPolarHBondContact O-CD 3.33Å; P329-E331 VanDerWaalsContact C-N 3.28Å; P329-E331 PolarHBondContact O-N 2.87Å; P329-Y332 PolarHBondContact O-N 3.08Å |
| 330 | K | 85.7 | Confident | 83.4 | Confident | 160 Ų | 160 | 69.6 Ų | 69.6 | 70% | 0.696 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -69.6 | -23.1 | 178.7 | -60.9 | -174.6 | 178.4 | -177.5 | 0 | 113.5 | S328 Y332 M345 N369 | S328-K330 PolarHBondContact O-N 3.38Å; S328-K330 VanDerWaalsContact O-N 3.12Å; K330-Y332 PolarHBondContact O-N 2.68Å; K330-M345 HydrophobicContact CB-CE 4.46Å; K330-M345 HydrophobicContact CG-CE 4.25Å; K330-N369 PolarHBondContact O-ND2 2.8Å |
| 331 | E | 88.9 | Confident | 83.6 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 34% | 0.341 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -76.7 | -0.3 | 174.4 | -82.7 | 173 | -97.4 | 0 | 0 | 113.3 | S328 P329 K368 N369 | S328-E331 WeakPolarHBondContact CB-OE1 3.32Å; S328-E331 PolarHBondContact O-N 2.79Å; S328-E331 VanDerWaalsContact O-N 3.13Å; S328-E331 VanDerWaalsContact OG-CG 3.3Å; S328-E331 WeakPolarHBondContact OG-CG 3.38Å; S328-E331 PolarHBondContact OG-OE1 2.72Å; P329-E331 VanDerWaalsContact C-N 3.28Å; P329-E331 PolarHBondContact O-N 2.87Å; E331-K368 CarbonylContact O-C 3.53Å; E331-K368 WeakPolarHBondContact O-CA 3.37Å; E331-K368 VanDerWaalsContact O-CG 3.27Å; E331-K368 WeakPolarHBondContact O-CG 3.28Å; E331-K368 VanDerWaalsContact OE2-CE 3.22Å; E331-K368 WeakPolarHBondContact OE2-CE 3.4Å; E331-K368 IonicContact OE2-NZ 2.67Å; E331-K368 PolarHBondContact OE2-NZ 2.88Å; E331-N369 VanDerWaalsContact C-CB 3.49Å; E331-N369 VanDerWaalsContact O-CB 3.3Å; E331-N369 WeakPolarHBondContact O-CB 3.34Å; E331-N369 PolarHBondContact O-N 2.92Å |
| 332 | Y | 91.5 | Very high | 84 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 16% | 0.157 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 152.4 | -175.9 | -69.3 | -92.9 | 0 | 0 | 0 | 112 | L319 L327 P329 K330 L366 Q367 K368 | L319-Y332 HydrophobicContact CD1-CD2 3.75Å; L319-Y332 HydrophobicContact CD1-CE2 4.15Å; L319-Y332 HydrophobicContact CD1-CG 4.32Å; L319-Y332 HydrophobicContact CD2-CD1 4.18Å; L319-Y332 HydrophobicContact CD2-CD2 3.85Å; L319-Y332 HydrophobicContact CD2-CE1 4.04Å; L319-Y332 HydrophobicContact CD2-CE2 3.73Å; L319-Y332 HydrophobicContact CD2-CG 4.09Å; L319-Y332 HydrophobicContact CG-CD2 4.42Å; L327-Y332 HydrophobicContact CB-CE2 4.25Å; L327-Y332 HydrophobicContact CD1-CE2 4.42Å; P329-Y332 PolarHBondContact O-N 3.08Å; K330-Y332 PolarHBondContact O-N 2.68Å; Y332-L366 HydrophobicContact CD1-CD1 4.24Å; Y332-L366 HydrophobicContact CD1-CD2 4.06Å; Y332-L366 HydrophobicContact CD1-CG 3.98Å; Y332-L366 HydrophobicContact CE1-CD2 4.48Å; Y332-L366 HydrophobicContact CG-CD1 4.42Å; Y332-Q367 WeakPolarHBondContact CA-O 3.47Å; Y332-K368 HydrophobicContact CE1-CB 4.4Å |
| 333 | L | 93.3 | Very high | 84.7 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149.7 | 173.8 | -65.7 | 174.1 | 0 | 0 | 0 | 109.6 | K270 W272 F342 Q367 N369 | K270-L333 HydrophobicContact CD-CD1 3.98Å; W272-L333 HydrophobicContact CH2-CD1 4.47Å; W272-L333 HydrophobicContact CH2-CD2 4.01Å; W272-L333 HydrophobicContact CZ3-CD2 4.12Å; L333-F342 HydrophobicContact CB-CD1 3.9Å; L333-F342 HydrophobicContact CB-CE1 4.33Å; L333-F342 HydrophobicContact CD1-CD1 4.1Å; L333-F342 HydrophobicContact CD1-CE1 4.36Å; L333-Q367 PolarHBondContact N-O 3.15Å; L333-Q367 PolarHBondContact O-N 3.22Å; L333-N369 HydrophobicContact CD1-CB 4.25Å; L333-N369 WeakPolarHBondContact CD1-OD1 3.45Å; L333-N369 HydrophobicContact CG-CB 4Å |
| 334 | L | 95.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.4 | 169.6 | -73.6 | 168.3 | 0 | 0 | 0 | 109.2 | V311 L314 I315 I318 F342 L343 L364 H365 L366 | V311-L334 HydrophobicContact CG1-CD1 4.32Å; L314-L334 HydrophobicContact CD2-CD1 3.8Å; L314-L334 HydrophobicContact CG-CD1 4.11Å; I315-L334 HydrophobicContact CD1-CD1 4.29Å; I315-L334 HydrophobicContact CD1-CG 4.2Å; I315-L334 HydrophobicContact CG1-CD1 3.64Å; I315-L334 HydrophobicContact CG1-CG 3.79Å; I318-L334 HydrophobicContact CD1-CD1 4.34Å; I318-L334 HydrophobicContact CD1-CD2 4.08Å; L334-F342 WeakPolarHBondContact O-CA 3.04Å; L334-L343 HydrophobicContact CB-CB 4.41Å; L334-L343 HydrophobicContact CB-CD1 4.05Å; L334-L343 HydrophobicContact CB-CG 4.3Å; L334-L343 HydrophobicContact CD1-CD1 4.47Å; L334-L343 PolarHBondContact O-N 2.96Å; L334-L364 HydrophobicContact CB-CD1 4.46Å; L334-L364 HydrophobicContact CD1-CD1 4.15Å; L334-L364 HydrophobicContact CD2-CB 4.15Å; L334-L364 HydrophobicContact CD2-CD1 4.37Å; L334-H365 WeakPolarHBondContact CA-O 3.48Å; L334-L366 HydrophobicContact CD2-CB 4.05Å; L334-L366 HydrophobicContact CD2-CD1 3.84Å; L334-L366 HydrophobicContact CG-CD1 4.22Å |
| 335 | S | 94.6 | Very high | 87.1 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 151.9 | 168.6 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | E341 L364 H365 Q367 | S335-E341 WeakPolarHBondContact CA-O 3.39Å; S335-L364 CarbonylContact O-C 3.54Å; S335-L364 VanDerWaalsContact O-CA 3.23Å; S335-L364 WeakPolarHBondContact O-CA 3.26Å; S335-H365 PolarHBondContact N-O 3Å; S335-H365 PolarHBondContact O-N 3.01Å; S335-H365 PolarHBondContact OG-O 2.99Å; S335-Q367 PolarHBondContact OG-OE1 3.09Å |
| 336 | V | 94.2 | Very high | 88.7 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 119.8 | 176.1 | 174.3 | 0 | 0 | 0 | 0 | 109.2 | G338 S339 E341 L343 I354 L364 | V336-G338 PolarHBondContact O-N 3.47Å; V336-S339 PolarHBondContact O-N 3.5Å; V336-S339 VanDerWaalsContact O-O 3.12Å; V336-E341 PolarHBondContact N-O 3.06Å; V336-L343 HydrophobicContact CG2-CD2 3.91Å; V336-I354 HydrophobicContact CG1-CD1 3.99Å; V336-I354 HydrophobicContact CG1-CG1 3.82Å; V336-I354 HydrophobicContact CG2-CG1 4.19Å; V336-I354 HydrophobicContact CG2-CG2 4.14Å; V336-L364 HydrophobicContact CG2-CD2 4.01Å |
| 337 | C | 91.4 | Very high | 90.4 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 28% | 0.277 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 131 | -179.3 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | S339 Q363 | C337-S339 VanDerWaalsContact C-N 3.34Å; C337-Q363 HydrophobicContact CB-CB 3.7Å; C337-Q363 PolarHBondContact N-O 3.02Å |
| 338 | G | 88.8 | Confident | 91.3 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 97% | 0.969 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 15.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V336 | V336-G338 PolarHBondContact O-N 3.47Š|
| 339 | S | 89 | Confident | 91.8 | Very high | 46 Ų | 46 | 48.4 Ų | 48.4 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -136.3 | 164.1 | 170 | -168.7 | 0 | 0 | 0 | 0 | 109.5 | V336 C337 E341 | V336-S339 PolarHBondContact O-N 3.5Å; V336-S339 VanDerWaalsContact O-O 3.12Å; C337-S339 VanDerWaalsContact C-N 3.34Å; S339-E341 VanDerWaalsContact C-N 3.31Å; S339-E341 WeakPolarHBondContact OG-CB 3.5Å; S339-E341 VanDerWaalsContact OG-CG 3.26Å; S339-E341 WeakPolarHBondContact OG-CG 3.48Å; S339-E341 PolarHBondContact OG-N 3.26Å; S339-E341 PolarHBondContact OG-OE2 3.13Å |
| 340 | E | 89.7 | Confident | 92.3 | Very high | 132 Ų | 132 | 46.4 Ų | 46.4 | 62% | 0.617 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -92.3 | 3.4 | 169.6 | -60.9 | -171.3 | 161.9 | 0 | 0 | 112 | I271 | I271-E340 HydrophobicContact CD1-CB 4.02Š|
| 341 | E | 93.3 | Very high | 92.6 | Very high | 44 Ų | 44 | 39 Ų | 39 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 138.2 | -175.5 | -66 | 167 | 120.7 | 0 | 0 | 113.9 | I271 A273 S335 V336 S339 | I271-E341 HydrophobicContact CG2-CG 3.92Å; I271-E341 CarbonylContact O-C 3.57Å; I271-E341 WeakPolarHBondContact O-CA 3.41Å; A273-E341 HydrophobicContact CB-CB 4.03Å; S335-E341 WeakPolarHBondContact CA-O 3.39Å; V336-E341 PolarHBondContact N-O 3.06Å; S339-E341 VanDerWaalsContact C-N 3.31Å; S339-E341 WeakPolarHBondContact OG-CB 3.5Å; S339-E341 VanDerWaalsContact OG-CG 3.26Å; S339-E341 WeakPolarHBondContact OG-CG 3.48Å; S339-E341 PolarHBondContact OG-N 3.26Å; S339-E341 PolarHBondContact OG-OE2 3.13Å |
| 342 | F | 95 | Very high | 92.9 | Very high | 29 Ų | 29 | 35.5 Ų | 35.5 | 13% | 0.127 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 139.8 | 171.8 | -66.2 | -82.3 | 0 | 0 | 0 | 111.8 | K270 I271 W272 A273 L333 L334 Q367 | K270-F342 HydrophobicContact CB-CD2 3.99Å; K270-F342 HydrophobicContact CB-CE2 4.32Å; K270-F342 HydrophobicContact CG-CD2 4.29Å; K270-F342 HydrophobicContact CG-CE2 4.25Å; I271-F342 PolarHBondContact O-N 2.94Å; W272-F342 HydrophobicContact CE3-CB 3.71Å; W272-F342 HydrophobicContact CZ3-CB 3.68Å; A273-F342 WeakPolarHBondContact CB-O 3.32Å; A273-F342 PolarHBondContact N-O 3.44Å; L333-F342 HydrophobicContact CB-CD1 3.9Å; L333-F342 HydrophobicContact CB-CE1 4.33Å; L333-F342 HydrophobicContact CD1-CD1 4.1Å; L333-F342 HydrophobicContact CD1-CE1 4.36Å; L334-F342 WeakPolarHBondContact O-CA 3.04Å; F342-Q367 HydrophobicContact CE1-CG 4.34Å |
| 343 | L | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -72 | 142.3 | 172.8 | -56.1 | -175.2 | 0 | 0 | 0 | 111.1 | A273 V311 L334 V336 L349 I354 F355 L364 | A273-L343 HydrophobicContact CB-CD2 4.02Å; V311-L343 HydrophobicContact CB-CB 4.41Å; V311-L343 HydrophobicContact CG1-CB 3.77Å; V311-L343 HydrophobicContact CG2-CB 3.7Å; V311-L343 HydrophobicContact CG2-CD1 4.19Å; L334-L343 HydrophobicContact CB-CB 4.41Å; L334-L343 HydrophobicContact CB-CD1 4.05Å; L334-L343 HydrophobicContact CB-CG 4.3Å; L334-L343 HydrophobicContact CD1-CD1 4.47Å; L334-L343 PolarHBondContact O-N 2.96Å; V336-L343 HydrophobicContact CG2-CD2 3.91Å; L343-L349 HydrophobicContact CD1-CD2 4.45Å; L343-I354 HydrophobicContact CD2-CG2 4.04Å; L343-F355 HydrophobicContact CD1-CE2 3.87Å; L343-F355 HydrophobicContact CD1-CZ 4.17Å; L343-F355 HydrophobicContact CD2-CE2 4.04Å; L343-L364 HydrophobicContact CD1-CD1 3.73Å; L343-L364 HydrophobicContact CD1-CD2 3.93Å; L343-L364 HydrophobicContact CG-CD2 4.45Å | ||
| 344 | Q | 94.7 | Very high | 92.8 | Very high | 46 Ų | 46 | 38.5 Ų | 38.5 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | trans | -84.8 | 121.9 | -178.1 | -59.9 | -178.3 | 42.8 | 0 | 0 | 110.6 | W272 A273 T275 V311 D346 H347 H352 | W272-Q344 HydrophobicContact CB-CG 3.95Å; W272-Q344 HydrophobicContact CD2-CG 4.43Å; W272-Q344 HydrophobicContact CE3-CG 4.16Å; W272-Q344 HydrophobicContact CG-CG 4.37Å; A273-Q344 PolarHBondContact O-NE2 2.74Å; T275-Q344 HydrophobicContact CG2-CG 4.47Å; T275-Q344 PolarHBondContact OG1-NE2 3.27Å; V311-Q344 WeakPolarHBondContact CB-O 3.43Å; V311-Q344 WeakPolarHBondContact CG2-O 3.21Å; Q344-D346 PolarHBondContact O-N 3.41Å; Q344-H347 HydrophobicContact CB-CB 4.17Å; Q344-H347 PolarHBondContact O-N 3.2Å; Q344-H347 VanDerWaalsContact O-N 3.1Å; Q344-H347 PolarHBondContact OE1-CE1 3.03Å; Q344-H347 PolarHBondContact OE1-ND1 3.47Å; Q344-H352 PolarHBondContact N-NE2 3.46Å | ||
| 345 | M | 92.8 | Very high | 92.6 | Very high | 47 Ų | 47 | 39 Ų | 39 | 23% | 0.232 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -42.6 | -168.5 | -73.6 | -151.6 | -61.8 | 0 | 0 | 115.3 | V311 K312 K330 H347 | V311-M345 PolarHBondContact N-O 3.36Å; K312-M345 HydrophobicContact CB-CB 4.36Å; K312-M345 PolarHBondContact N-O 2.97Å; K330-M345 HydrophobicContact CB-CE 4.46Å; K330-M345 HydrophobicContact CG-CE 4.25Å; M345-H347 VanDerWaalsContact C-N 3.34Å |
| 346 | D | 92.8 | Very high | 92.3 | Very high | 106 Ų | 106 | 42.3 Ų | 42.3 | 57% | 0.567 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 8.2 | -175.6 | -65.4 | -66.9 | 0 | 0 | 0 | 114.3 | K312 Q344 | K312-D346 IonicContact NZ-OD1 3.49Å; K312-D346 PolarHBondContact NZ-OD1 2.86Å; Q344-D346 PolarHBondContact O-N 3.41Å |
| 347 | H | 93.6 | Very high | 91.7 | Very high | 73 Ų | 73 | 48 Ų | 48 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -103.7 | 150.4 | 176.9 | -74.2 | 76.4 | 0 | 0 | 0 | 111.9 | T275 L310 V311 Q344 M345 H352 | T275-H347 HydrophobicContact CG2-CB 3.91Å; T275-H347 VanDerWaalsContact CG2-CD2 3.43Å; T275-H347 WeakPolarHBondContact CG2-CD2 3.33Å; T275-H347 PolarHBondContact OG1-NE2 2.97Å; L310-H347 WeakPolarHBondContact CA-O 3.44Å; V311-H347 PolarHBondContact N-O 3.31Å; V311-H347 VanDerWaalsContact N-O 3.11Å; Q344-H347 HydrophobicContact CB-CB 4.17Å; Q344-H347 PolarHBondContact O-N 3.2Å; Q344-H347 VanDerWaalsContact O-N 3.1Å; Q344-H347 PolarHBondContact OE1-CE1 3.03Å; Q344-H347 PolarHBondContact OE1-ND1 3.47Å; M345-H347 VanDerWaalsContact C-N 3.34Å; H347-H352 VanDerWaalsContact CB-CE1 3.49Å; H347-H352 WeakPolarHBondContact CB-CE1 3.25Å |
| 348 | S | 93.4 | Very high | 90.4 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 149.4 | 174.1 | 59 | 0 | 0 | 0 | 0 | 112.1 | F283 Y309 G350 G351 H352 | F283-S348 WeakPolarHBondContact CE2-OG 3.34Å; Y309-S348 CarbonylContact O-C 3.47Å; Y309-S348 WeakPolarHBondContact O-CA 3.34Å; S348-G350 VanDerWaalsContact C-N 3.33Å; S348-G350 PolarHBondContact O-N 3.32Å; S348-G351 PolarHBondContact O-N 3.07Å; S348-G351 PolarHBondContact OG-N 2.89Å; S348-H352 PolarHBondContact O-ND1 3.23Å |
| 349 | L | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -54.6 | -48.8 | 177.7 | -60.9 | -177.8 | 0 | 0 | 0 | 111.4 | F288 P305 Y309 V311 L314 L343 G351 H352 F355 | F288-L349 HydrophobicContact CD2-CB 4.04Å; F288-L349 HydrophobicContact CE2-CB 4.05Å; P305-L349 HydrophobicContact CB-CD1 3.67Å; P305-L349 HydrophobicContact CG-CD1 3.53Å; Y309-L349 PolarHBondContact O-N 3.22Å; V311-L349 HydrophobicContact CG2-CD2 3.91Å; L314-L349 HydrophobicContact CD2-CD1 4.06Å; L314-L349 HydrophobicContact CD2-CD2 3.88Å; L343-L349 HydrophobicContact CD1-CD2 4.45Å; L349-G351 PolarHBondContact O-N 3.48Å; L349-H352 PolarHBondContact O-N 3.34Å; L349-H352 VanDerWaalsContact O-N 3.09Å; L349-F355 HydrophobicContact CB-CD1 4.2Å; L349-F355 HydrophobicContact CB-CD2 4.48Å; L349-F355 HydrophobicContact CB-CE1 4.06Å; L349-F355 HydrophobicContact CB-CE2 4.35Å; L349-F355 HydrophobicContact CB-CG 4.42Å; L349-F355 HydrophobicContact CB-CZ 4.13Å; L349-F355 HydrophobicContact CD1-CE1 4.33Å; L349-F355 HydrophobicContact CD2-CE1 4.43Å; L349-F355 HydrophobicContact CD2-CE2 4.2Å; L349-F355 HydrophobicContact CD2-CZ 3.84Å; L349-F355 HydrophobicContact CG-CZ 4.37Å; L349-F355 WeakPolarHBondContact O-CB 3.3Å; L349-F355 WeakPolarHBondContact O-CD2 3.38Å; L349-F355 VanDerWaalsContact O-CG 3.31Å; L349-F355 WeakPolarHBondContact O-CG 3.29Å |
| 350 | G | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -65.3 | -22.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F283 A307 S348 H352 Q356 | F283-G350 VanDerWaalsContact CZ-O 3.23Å; F283-G350 WeakPolarHBondContact CZ-O 3.41Å; A307-G350 PolarHBondContact O-N 3.49Å; S348-G350 VanDerWaalsContact C-N 3.33Å; S348-G350 PolarHBondContact O-N 3.32Å; G350-H352 PolarHBondContact O-N 2.91Å; G350-Q356 PolarHBondContact O-NE2 3.49Å |
| 351 | G | 91.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -68.1 | -21.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T275 T276 S348 L349 Q356 | T275-G351 CarbonylContact C-O 3.56Å; T275-G351 VanDerWaalsContact CA-O 3.27Å; T275-G351 WeakPolarHBondContact CA-O 3.35Å; T276-G351 PolarHBondContact N-O 3.35Å; T276-G351 PolarHBondContact OG1-O 2.67Å; S348-G351 PolarHBondContact O-N 3.07Å; S348-G351 PolarHBondContact OG-N 2.89Å; L349-G351 PolarHBondContact O-N 3.48Å; G351-Q356 PolarHBondContact O-NE2 3.49Å |
| 352 | H | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 133.2 | -178.7 | -65.5 | 84.7 | 0 | 0 | 0 | 111.9 | T275 Q344 H347 S348 L349 G350 I354 F355 Q356 | T275-H352 VanDerWaalsContact CG2-CD2 3.45Å; T275-H352 WeakPolarHBondContact CG2-CD2 3.31Å; Q344-H352 PolarHBondContact N-NE2 3.46Å; H347-H352 VanDerWaalsContact CB-CE1 3.49Å; H347-H352 WeakPolarHBondContact CB-CE1 3.25Å; S348-H352 PolarHBondContact O-ND1 3.23Å; L349-H352 PolarHBondContact O-N 3.34Å; L349-H352 VanDerWaalsContact O-N 3.09Å; G350-H352 PolarHBondContact O-N 2.91Å; H352-I354 HydrophobicContact CB-CG2 4.14Å; H352-I354 PolarHBondContact O-N 2.77Å; H352-F355 HydrophobicContact CB-CD2 3.94Å; H352-F355 PolarHBondContact O-N 3.35Å; H352-Q356 PolarHBondContact O-N 3.27Å |
| 353 | K | 91.6 | Very high | 89.2 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.5 | -25.6 | -178.8 | -73 | -169.3 | -179.1 | 175.2 | 0 | 114.2 | I274 T276 F355 Q356 K357 | I274-K353 HydrophobicContact CB-CD 4Å; I274-K353 HydrophobicContact CB-CG 4.28Å; I274-K353 HydrophobicContact CG2-CD 3.69Å; I274-K353 HydrophobicContact CG2-CG 4.14Å; I274-K353 PolarHBondContact O-N 3.48Å; T276-K353 HydrophobicContact CG2-CD 4.3Å; T276-K353 VanDerWaalsContact CG2-CE 3.49Å; T276-K353 HydrophobicContact CG2-CG 3.79Å; K353-F355 VanDerWaalsContact C-N 3.3Å; K353-F355 PolarHBondContact O-N 3.03Å; K353-Q356 PolarHBondContact O-N 3Å; K353-K357 WeakPolarHBondContact O-CG 3.39Å; K353-K357 PolarHBondContact O-N 3.23Å |
| 354 | I | 90.9 | Very high | 89.2 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.8 | -31.9 | 176.7 | -172.5 | 61.5 | 0 | 0 | 0 | 112.7 | V336 L343 H352 K357 K359 | V336-I354 HydrophobicContact CG1-CD1 3.99Å; V336-I354 HydrophobicContact CG1-CG1 3.82Å; V336-I354 HydrophobicContact CG2-CG1 4.19Å; V336-I354 HydrophobicContact CG2-CG2 4.14Å; L343-I354 HydrophobicContact CD2-CG2 4.04Å; H352-I354 HydrophobicContact CB-CG2 4.14Å; H352-I354 PolarHBondContact O-N 2.77Å; I354-K357 HydrophobicContact CD1-CD 4.49Å; I354-K359 HydrophobicContact CD1-CD 4.49Å |
| 355 | F | 91 | Very high | 89.1 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.1 | -20 | 176.8 | -71.4 | -94.6 | 0 | 0 | 0 | 113.3 | F288 V290 L343 L349 H352 K353 I362 L364 | F288-F355 HydrophobicContact CB-CD1 3.95Å; F288-F355 HydrophobicContact CB-CE1 4.09Å; F288-F355 HydrophobicContact CD1-CB 4.47Å; F288-F355 AromaticContact CD1-CD1 3.93Å; F288-F355 HydrophobicContact CD1-CD1 3.93Å; F288-F355 HydrophobicContact CD2-CB 4.41Å; F288-F355 AromaticContact CD2-CD1 3.32Å; F288-F355 HydrophobicContact CD2-CD1 3.32Å; F288-F355 AromaticContact CD2-CE1 3.89Å; F288-F355 HydrophobicContact CD2-CE1 3.89Å; F288-F355 HydrophobicContact CD2-CG 4.19Å; F288-F355 HydrophobicContact CE1-CB 3.99Å; F288-F355 HydrophobicContact CE1-CD1 4.25Å; F288-F355 WeakPolarHBondContact CE1-O 3.48Å; F288-F355 HydrophobicContact CE2-CB 3.87Å; F288-F355 AromaticContact CE2-CD1 3.64Å; F288-F355 HydrophobicContact CE2-CD1 3.64Å; F288-F355 HydrophobicContact CE2-CG 4.05Å; F288-F355 AromaticContact CG-CD1 3.46Å; F288-F355 HydrophobicContact CG-CD1 3.46Å; F288-F355 VanDerWaalsContact CG-CD1 3.46Å; F288-F355 HydrophobicContact CG-CE1 4.06Å; F288-F355 HydrophobicContact CZ-CB 3.67Å; F288-F355 HydrophobicContact CZ-CD1 4.13Å; F288-F355 HydrophobicContact CZ-CG 4.33Å; V290-F355 HydrophobicContact CG2-CE1 3.98Å; L343-F355 HydrophobicContact CD1-CE2 3.87Å; L343-F355 HydrophobicContact CD1-CZ 4.17Å; L343-F355 HydrophobicContact CD2-CE2 4.04Å; L349-F355 HydrophobicContact CB-CD1 4.2Å; L349-F355 HydrophobicContact CB-CD2 4.48Å; L349-F355 HydrophobicContact CB-CE1 4.06Å; L349-F355 HydrophobicContact CB-CE2 4.35Å; L349-F355 HydrophobicContact CB-CG 4.42Å; L349-F355 HydrophobicContact CB-CZ 4.13Å; L349-F355 HydrophobicContact CD1-CE1 4.33Å; L349-F355 HydrophobicContact CD2-CE1 4.43Å; L349-F355 HydrophobicContact CD2-CE2 4.2Å; L349-F355 HydrophobicContact CD2-CZ 3.84Å; L349-F355 HydrophobicContact CG-CZ 4.37Å; L349-F355 WeakPolarHBondContact O-CB 3.3Å; L349-F355 WeakPolarHBondContact O-CD2 3.38Å; L349-F355 VanDerWaalsContact O-CG 3.31Å; L349-F355 WeakPolarHBondContact O-CG 3.29Å; H352-F355 HydrophobicContact CB-CD2 3.94Å; H352-F355 PolarHBondContact O-N 3.35Å; K353-F355 VanDerWaalsContact C-N 3.3Å; K353-F355 PolarHBondContact O-N 3.03Å; F355-I362 HydrophobicContact CB-CD1 4.12Å; F355-I362 HydrophobicContact CD1-CD1 3.17Å; F355-I362 HydrophobicContact CD2-CD1 4.47Å; F355-I362 HydrophobicContact CE1-CD1 3.62Å; F355-I362 HydrophobicContact CE1-CG2 4.3Å; F355-I362 HydrophobicContact CG-CD1 3.68Å; F355-I362 HydrophobicContact CZ-CD1 4.43Å; F355-I362 HydrophobicContact CZ-CG2 4.28Å; F355-L364 HydrophobicContact CZ-CD1 4.3Å |
| 356 | Q | 88.1 | Confident | 89.2 | Confident | 82 Ų | 82 | 54.5 Ų | 54.5 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -84.6 | -15.6 | 175.2 | -62.1 | 167.2 | 8.4 | 0 | 0 | 112.8 | T276 G350 G351 H352 K353 | T276-Q356 PolarHBondContact OG1-NE2 3.24Å; G350-Q356 PolarHBondContact O-NE2 3.49Å; G351-Q356 PolarHBondContact O-NE2 3.49Å; H352-Q356 PolarHBondContact O-N 3.27Å; K353-Q356 PolarHBondContact O-N 3Å |
| 357 | K | 82.8 | Confident | 89 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 54% | 0.543 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -73.7 | 142.8 | 172.5 | -74.8 | 171.2 | -176.2 | 177.3 | 0 | 109.7 | K353 I354 K359 | K353-K357 WeakPolarHBondContact O-CG 3.39Å; K353-K357 PolarHBondContact O-N 3.23Å; I354-K357 HydrophobicContact CD1-CD 4.49Å; K357-K359 VanDerWaalsContact C-N 3.26Å; K357-K359 PolarHBondContact O-N 3.35Å |
| 358 | N | 64 | Low | 88.8 | Confident | 179 Ų | 179 | 53 Ų | 53 | 96% | 0.957 | 27% | 0.266 | S | S | * | . | trans | -74.8 | 74.4 | -176.4 | -152 | 0.4 | 0 | 0 | 0 | 111.7 | ||||
| 359 | K | 70.6 | Confident | 88.5 | Confident | 111 Ų | 111 | 53.6 Ų | 53.6 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | trans | -111.5 | 129.5 | 174.2 | -71.9 | -171.3 | 175 | -173.3 | 0 | 109.4 | I354 K357 V361 I362 | I354-K359 HydrophobicContact CD1-CD 4.49Å; K357-K359 VanDerWaalsContact C-N 3.26Å; K357-K359 PolarHBondContact O-N 3.35Å; K359-V361 VanDerWaalsContact C-N 3.29Å; K359-V361 PolarHBondContact O-N 3Å; K359-I362 HydrophobicContact CB-CG1 4.44Å | ||
| 360 | S | 78.9 | Confident | 87.9 | Confident | 117 Ų | 117 | 61.8 Ų | 61.8 | 82% | 0.818 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -68.6 | -26.3 | 178.6 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 361 | V | 91.9 | Very high | 86.9 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 26% | 0.261 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -144.7 | 133 | 174.9 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | R289 K291 K359 | R289-V361 HydrophobicContact CG-CG1 4.24Å; R289-V361 HydrophobicContact CG-CG2 3.99Å; R289-V361 WeakPolarHBondContact O-CA 3.48Å; K291-V361 HydrophobicContact CB-CG1 4.25Å; K291-V361 HydrophobicContact CD-CG1 3.78Å; K291-V361 HydrophobicContact CG-CG1 3.73Å; K359-V361 VanDerWaalsContact C-N 3.29Å; K359-V361 PolarHBondContact O-N 3Å |
| 362 | I | 93.9 | Very high | 85.9 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.8 | 174 | -63.8 | 166.8 | 0 | 0 | 0 | 107.8 | R289 V290 K291 F355 K359 L364 | R289-I362 PolarHBondContact O-N 3.02Å; V290-I362 CarbonylContact C-O 3.45Å; V290-I362 WeakPolarHBondContact CA-O 3.33Å; K291-I362 PolarHBondContact N-O 3.12Å; F355-I362 HydrophobicContact CB-CD1 4.12Å; F355-I362 HydrophobicContact CD1-CD1 3.17Å; F355-I362 HydrophobicContact CD2-CD1 4.47Å; F355-I362 HydrophobicContact CE1-CD1 3.62Å; F355-I362 HydrophobicContact CE1-CG2 4.3Å; F355-I362 HydrophobicContact CG-CD1 3.68Å; F355-I362 HydrophobicContact CZ-CD1 4.43Å; F355-I362 HydrophobicContact CZ-CG2 4.28Å; K359-I362 HydrophobicContact CB-CG1 4.44Å; I362-L364 HydrophobicContact CG2-CD2 3.95Å; I362-L364 HydrophobicContact CG2-CG 4.25Å |
| 363 | Q | 94.6 | Very high | 85 | Confident | 108 Ų | 108 | 75.8 Ų | 75.8 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.2 | 177.9 | -66.3 | -179.3 | 13.3 | 0 | 0 | 108.4 | K291 C337 | K291-Q363 HydrophobicContact CB-CG 4.19Å; K291-Q363 HydrophobicContact CD-CG 4.46Å; K291-Q363 WeakPolarHBondContact O-CA 3.3Å; C337-Q363 HydrophobicContact CB-CB 3.7Å; C337-Q363 PolarHBondContact N-O 3.02Å |
| 364 | L | 95.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 154.1 | 176.1 | -56.2 | -179.9 | 0 | 0 | 0 | 109.7 | V290 K291 I292 S293 L314 L334 S335 V336 L343 F355 I362 | V290-L364 HydrophobicContact CG1-CB 4.49Å; V290-L364 HydrophobicContact CG1-CD1 3.63Å; V290-L364 HydrophobicContact CG1-CG 3.86Å; K291-L364 PolarHBondContact O-N 2.93Å; I292-L364 WeakPolarHBondContact CA-O 3.46Å; I292-L364 HydrophobicContact CG1-CB 4.41Å; S293-L364 PolarHBondContact N-O 2.88Å; S293-L364 PolarHBondContact OG-O 2.9Å; L314-L364 HydrophobicContact CD2-CD1 4.26Å; L334-L364 HydrophobicContact CB-CD1 4.46Å; L334-L364 HydrophobicContact CD1-CD1 4.15Å; L334-L364 HydrophobicContact CD2-CB 4.15Å; L334-L364 HydrophobicContact CD2-CD1 4.37Å; S335-L364 CarbonylContact O-C 3.54Å; S335-L364 VanDerWaalsContact O-CA 3.23Å; S335-L364 WeakPolarHBondContact O-CA 3.26Å; V336-L364 HydrophobicContact CG2-CD2 4.01Å; L343-L364 HydrophobicContact CD1-CD1 3.73Å; L343-L364 HydrophobicContact CD1-CD2 3.93Å; L343-L364 HydrophobicContact CG-CD2 4.45Å; F355-L364 HydrophobicContact CZ-CD1 4.3Å; I362-L364 HydrophobicContact CG2-CD2 3.95Å; I362-L364 HydrophobicContact CG2-CG 4.25Å |
| 365 | H | 94.2 | Very high | 84.2 | Confident | 44 Ų | 44 | 82.1 Ų | 82.1 | 20% | 0.204 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.9 | 172.9 | 179.9 | -118.4 | 0 | 0 | 0 | 109.5 | S293 D295 L334 S335 | S293-H365 WeakPolarHBondContact O-CA 3.28Å; S293-H365 PolarHBondContact OG-CD2 3.38Å; D295-H365 IonicContact OD1-CE1 2.67Å; D295-H365 PolarHBondContact OD1-CE1 2.89Å; D295-H365 IonicContact OD1-NE2 3.22Å; D295-H365 PolarHBondContact OD1-NE2 3.36Å; L334-H365 WeakPolarHBondContact CA-O 3.48Å; S335-H365 PolarHBondContact N-O 3Å; S335-H365 PolarHBondContact O-N 3.01Å; S335-H365 PolarHBondContact OG-O 2.99Å |
| 366 | L | 93.4 | Very high | 84.1 | Confident | 5 Ų | 5 | 86.5 Ų | 86.5 | 3% | 0.026 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.1 | 171.4 | -174.4 | 79.2 | 0 | 0 | 0 | 108.9 | I292 S293 I294 D295 I315 I318 L319 Y332 L334 | I292-L366 HydrophobicContact CG2-CB 4.12Å; S293-L366 PolarHBondContact O-N 3.31Å; I294-L366 HydrophobicContact CG1-CB 4.32Å; I294-L366 HydrophobicContact CG2-CD2 4.48Å; D295-L366 PolarHBondContact N-O 2.91Å; I315-L366 HydrophobicContact CG1-CD1 4.17Å; I315-L366 HydrophobicContact CG2-CD1 4.31Å; I318-L366 HydrophobicContact CG2-CD2 3.73Å; L319-L366 HydrophobicContact CD2-CD2 4.03Å; Y332-L366 HydrophobicContact CD1-CD1 4.24Å; Y332-L366 HydrophobicContact CD1-CD2 4.06Å; Y332-L366 HydrophobicContact CD1-CG 3.98Å; Y332-L366 HydrophobicContact CE1-CD2 4.48Å; Y332-L366 HydrophobicContact CG-CD1 4.42Å; L334-L366 HydrophobicContact CD2-CB 4.05Å; L334-L366 HydrophobicContact CD2-CD1 3.84Å; L334-L366 HydrophobicContact CG-CD1 4.22Å |
| 367 | Q | 90 | Very high | 84.2 | Confident | 52 Ų | 52 | 83.5 Ų | 83.5 | 24% | 0.243 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151.4 | 179.4 | 53.2 | 177.6 | 89.1 | 0 | 0 | 111.4 | D295 Y332 L333 S335 F342 N369 | D295-Q367 VanDerWaalsContact OD2-CA 3.28Å; D295-Q367 WeakPolarHBondContact OD2-CA 3.35Å; D295-Q367 WeakPolarHBondContact OD2-CB 3.41Å; Y332-Q367 WeakPolarHBondContact CA-O 3.47Å; L333-Q367 PolarHBondContact N-O 3.15Å; L333-Q367 PolarHBondContact O-N 3.22Å; S335-Q367 PolarHBondContact OG-OE1 3.09Å; F342-Q367 HydrophobicContact CE1-CG 4.34Å; Q367-N369 PolarHBondContact O-N 3Å |
| 368 | K | 89.2 | Confident | 84.6 | Confident | 95 Ų | 95 | 80.5 Ų | 80.5 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 129.5 | 175.5 | -163.1 | 167.8 | -175 | 156.8 | 0 | 110.2 | E331 Y332 R370 | E331-K368 CarbonylContact O-C 3.53Å; E331-K368 WeakPolarHBondContact O-CA 3.37Å; E331-K368 VanDerWaalsContact O-CG 3.27Å; E331-K368 WeakPolarHBondContact O-CG 3.28Å; E331-K368 VanDerWaalsContact OE2-CE 3.22Å; E331-K368 WeakPolarHBondContact OE2-CE 3.4Å; E331-K368 IonicContact OE2-NZ 2.67Å; E331-K368 PolarHBondContact OE2-NZ 2.88Å; Y332-K368 HydrophobicContact CE1-CB 4.4Å; K368-R370 PolarHBondContact O-N 3.07Å; K368-R370 VanDerWaalsContact O-N 3.12Å |
| 369 | N | 87.4 | Confident | 85.9 | Confident | 38 Ų | 38 | 78.4 Ų | 78.4 | 20% | 0.203 | 39% | 0.394 | C | S | . | . | trans | -63.6 | 106.8 | 168.7 | -169.8 | 14.5 | 0 | 0 | 0 | 107.8 | K270 K330 E331 L333 Q367 | K270-N369 PolarHBondContact NZ-OD1 2.94Å; K330-N369 PolarHBondContact O-ND2 2.8Å; E331-N369 VanDerWaalsContact C-CB 3.49Å; E331-N369 VanDerWaalsContact O-CB 3.3Å; E331-N369 WeakPolarHBondContact O-CB 3.34Å; E331-N369 PolarHBondContact O-N 2.92Å; L333-N369 HydrophobicContact CD1-CB 4.25Å; L333-N369 WeakPolarHBondContact CD1-OD1 3.45Å; L333-N369 HydrophobicContact CG-CB 4Å; Q367-N369 PolarHBondContact O-N 3Å | ||
| 370 | R | 80.7 | Confident | 86.7 | Confident | 172 Ų | 172 | 76 Ų | 76 | 65% | 0.649 | 39% | 0.391 | S | S | * | . | trans | -91.1 | 140.4 | 175.1 | -56.2 | -175.1 | -172.7 | -166.8 | 1.1 | 109 | K270 K368 T372 | K270-R370 PolarHBondContact NZ-O 3.4Å; K368-R370 PolarHBondContact O-N 3.07Å; K368-R370 VanDerWaalsContact O-N 3.12Å; R370-T372 WeakPolarHBondContact CB-OG1 3.45Å; R370-T372 PolarHBondContact O-N 3.07Å | ||
| 371 | D | 70.5 | Confident | 87.2 | Confident | 132 Ų | 132 | 75.8 Ų | 75.8 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -74.9 | -11.4 | 173.5 | -51.1 | -53.3 | 0 | 0 | 0 | 112.2 | ||
| 372 | T | 70.4 | Confident | 87 | Confident | 91 Ų | 91 | 76.6 Ų | 76.6 | 56% | 0.558 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -65.4 | 127.2 | 171.6 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | R370 | R370-T372 WeakPolarHBondContact CB-OG1 3.45Å; R370-T372 PolarHBondContact O-N 3.07Å |
| 373 | P | 75.8 | Confident | 86.7 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 140.3 | 175.6 | -25.9 | 34.1 | 0 | 0 | 0 | 112.7 | S377 | P373-S377 VanDerWaalsContact CB-OG 3.25Å; P373-S377 WeakPolarHBondContact CB-OG 3.49Å |
| 374 | G | 80.3 | Confident | 86.1 | Confident | 26 Ų | 26 | 79.4 Ų | 79.4 | 27% | 0.268 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -68 | 166.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S268 L376 S377 | S268-G374 PolarHBondContact O-N 2.93Å; G374-L376 PolarHBondContact O-N 3.33Å; G374-S377 PolarHBondContact N-OG 3.01Å; G374-S377 VanDerWaalsContact O-CB 3.29Å; G374-S377 WeakPolarHBondContact O-CB 3.45Å; G374-S377 PolarHBondContact O-N 3.39Å; G374-S377 PolarHBondContact O-OG 2.96Å |
| 375 | K | 85.3 | Confident | 85.6 | Confident | 216 Ų | 216 | 81.5 Ų | 81.5 | 94% | 0.939 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.7 | 179.6 | -67.1 | -178.9 | 179.5 | 176.9 | 0 | 114.3 | ||
| 376 | L | 88.6 | Confident | 84.9 | Confident | 100 Ų | 100 | 84 Ų | 84 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 4.3 | -178.2 | -56.7 | 174.2 | 0 | 0 | 0 | 113 | I271 G374 | I271-L376 HydrophobicContact CD1-CD1 3.44Å; I271-L376 VanDerWaalsContact CD1-CD1 3.44Å; I271-L376 HydrophobicContact CG1-CD1 3.7Å; G374-L376 PolarHBondContact O-N 3.33Å |
| 377 | S | 90.6 | Very high | 84.2 | Confident | 20 Ų | 20 | 85.7 Ų | 85.7 | 14% | 0.14 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 137.1 | 172.3 | -66.1 | 0 | 0 | 0 | 0 | 110.6 | N267 S268 G269 P373 G374 | N267-S377 WeakPolarHBondContact O-CB 3.4Å; N267-S377 PolarHBondContact O-OG 3.01Å; S268-S377 VanDerWaalsContact C-OG 3.26Å; S268-S377 PolarHBondContact O-OG 3.38Å; G269-S377 WeakPolarHBondContact CA-OG 3.44Å; G269-S377 PolarHBondContact N-OG 3.14Å; G269-S377 VanDerWaalsContact N-OG 3.08Å; P373-S377 VanDerWaalsContact CB-OG 3.25Å; P373-S377 WeakPolarHBondContact CB-OG 3.49Å; G374-S377 PolarHBondContact N-OG 3.01Å; G374-S377 VanDerWaalsContact O-CB 3.29Å; G374-S377 WeakPolarHBondContact O-CB 3.45Å; G374-S377 PolarHBondContact O-N 3.39Å; G374-S377 PolarHBondContact O-OG 2.96Å |
| 378 | R | 90.6 | Very high | 83.5 | Confident | 61 Ų | 61 | 87.7 Ų | 87.7 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -61 | 154.2 | 167 | -75.2 | 177.1 | -69.6 | 143.2 | -0.6 | 110.8 | Y259 A261 N267 D382 D383 | Y259-R378 PolarHBondContact O-NH1 3.23Å; Y259-R378 PolarHBondContact O-NH2 2.94Å; A261-R378 HydrophobicContact CB-CB 3.91Å; N267-R378 PolarHBondContact ND2-N 3.44Å; N267-R378 PolarHBondContact ND2-O 3.2Å; N267-R378 PolarHBondContact OD1-N 3.01Å; R378-D382 WeakPolarHBondContact CA-OD2 3.49Å; R378-D382 HydrophobicContact CB-CB 4.14Å; R378-D382 HydrophobicContact CG-CB 4.19Å; R378-D383 IonicContact CZ-OD1 3.49Å; R378-D383 IonicContact NH1-OD1 2.7Å; R378-D383 PolarHBondContact NH1-OD1 3.08Å; R378-D383 IonicContact NH1-OD2 3.34Å; R378-D383 PolarHBondContact NH1-OD2 3.36Å |
| 379 | K | 90.5 | Very high | 82.8 | Confident | 135 Ų | 135 | 85.1 Ų | 85.1 | 59% | 0.587 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -101.9 | 166.9 | 169.5 | -55.3 | 178.9 | -175.1 | 175 | 0 | 110.4 | A261 E381 D382 | A261-K379 WeakPolarHBondContact CB-O 3.27Å; K379-E381 VanDerWaalsContact CB-OE2 3.28Å; K379-E381 WeakPolarHBondContact CB-OE2 3.11Å; K379-E381 WeakPolarHBondContact CD-OE2 3.43Å; K379-E381 PolarHBondContact O-N 2.96Å; K379-D382 PolarHBondContact N-OD2 3.49Å; K379-D382 WeakPolarHBondContact O-CB 3.43Å; K379-D382 PolarHBondContact O-N 3.38Å |
| 380 | S | 88.4 | Confident | 82 | Confident | 61 Ų | 61 | 87 Ų | 87 | 43% | 0.427 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -51.7 | -38.2 | 170.6 | 25.6 | 0 | 0 | 0 | 0 | 112.7 | D382 D383 H384 | S380-D382 VanDerWaalsContact C-N 3.27Å; S380-D382 PolarHBondContact O-N 2.95Å; S380-D383 PolarHBondContact O-N 3.19Å; S380-H384 PolarHBondContact O-CD2 3.12Å; S380-H384 VanDerWaalsContact O-CD2 3.23Å; S380-H384 PolarHBondContact O-N 3.47Å |
| 381 | E | 89.8 | Confident | 81.6 | Confident | 112 Ų | 112 | 84.2 Ų | 84.2 | 52% | 0.523 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 179 | -56.8 | 74.8 | -106.2 | 0 | 0 | 112.4 | K379 D383 H384 S385 | K379-E381 VanDerWaalsContact CB-OE2 3.28Å; K379-E381 WeakPolarHBondContact CB-OE2 3.11Å; K379-E381 WeakPolarHBondContact CD-OE2 3.43Å; K379-E381 PolarHBondContact O-N 2.96Å; E381-D383 VanDerWaalsContact C-N 3.34Å; E381-D383 PolarHBondContact O-N 3.1Å; E381-H384 PolarHBondContact O-N 2.74Å; E381-S385 WeakPolarHBondContact O-CB 3.18Å; E381-S385 PolarHBondContact O-N 2.88Å |
| 382 | D | 87.6 | Confident | 81.6 | Confident | 61 Ų | 61 | 82.5 Ų | 82.5 | 33% | 0.326 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.2 | -33.5 | -178.8 | -64.3 | -44.6 | 0 | 0 | 0 | 111.7 | R256 R378 K379 S380 S385 | R256-D382 PolarHBondContact NH1-O 3.37Å; R378-D382 WeakPolarHBondContact CA-OD2 3.49Å; R378-D382 HydrophobicContact CB-CB 4.14Å; R378-D382 HydrophobicContact CG-CB 4.19Å; K379-D382 PolarHBondContact N-OD2 3.49Å; K379-D382 WeakPolarHBondContact O-CB 3.43Å; K379-D382 PolarHBondContact O-N 3.38Å; S380-D382 VanDerWaalsContact C-N 3.27Å; S380-D382 PolarHBondContact O-N 2.95Å; D382-S385 PolarHBondContact O-N 3.38Å; D382-S385 PolarHBondContact O-OG 2.93Å |
| 383 | D | 87.6 | Confident | 81.6 | Confident | 25 Ų | 25 | 82.5 Ų | 82.5 | 13% | 0.134 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -76.3 | -33.1 | 179.9 | -73.4 | -5.3 | 0 | 0 | 0 | 112.3 | H260 A261 R378 S380 E381 | H260-D383 IonicContact CD2-OD2 3.71Å; H260-D383 PolarHBondContact CD2-OD2 3.14Å; H260-D383 IonicContact CG-OD2 2.69Å; H260-D383 IonicContact NE2-OD2 3.78Å; A261-D383 VanDerWaalsContact CB-OD2 3.32Å; A261-D383 WeakPolarHBondContact CB-OD2 3.48Å; A261-D383 PolarHBondContact N-OD2 2.99Å; R378-D383 IonicContact CZ-OD1 3.49Å; R378-D383 IonicContact NH1-OD1 2.7Å; R378-D383 PolarHBondContact NH1-OD1 3.08Å; R378-D383 IonicContact NH1-OD2 3.34Å; R378-D383 PolarHBondContact NH1-OD2 3.36Å; S380-D383 PolarHBondContact O-N 3.19Å; E381-D383 VanDerWaalsContact C-N 3.34Å; E381-D383 PolarHBondContact O-N 3.1Å |
| 384 | H | 82.9 | Confident | 81.2 | Confident | 149 Ų | 149 | 86.4 Ų | 86.4 | 69% | 0.69 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -80.9 | -19.5 | 173.5 | -58.5 | -42.5 | 0 | 0 | 0 | 113.2 | S380 E381 | S380-H384 PolarHBondContact O-CD2 3.12Å; S380-H384 VanDerWaalsContact O-CD2 3.23Å; S380-H384 PolarHBondContact O-N 3.47Å; E381-H384 PolarHBondContact O-N 2.74Å |
| 385 | S | 84.3 | Confident | 80.3 | Confident | 44 Ų | 44 | 92.8 Ų | 92.8 | 31% | 0.308 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -63.8 | 133.4 | 177.4 | 74.3 | 0 | 0 | 0 | 0 | 112 | R256 E381 D382 F387 | R256-S385 PolarHBondContact NH1-O 3.29Å; R256-S385 PolarHBondContact NH1-OG 2.93Å; E381-S385 WeakPolarHBondContact O-CB 3.18Å; E381-S385 PolarHBondContact O-N 2.88Å; D382-S385 PolarHBondContact O-N 3.38Å; D382-S385 PolarHBondContact O-OG 2.93Å; S385-F387 PolarHBondContact O-N 2.99Å |
| 386 | P | 79 | Confident | 79.2 | Confident | 95 Ų | 95 | 86 Ų | 86 | 62% | 0.617 | 44% | 0.435 | S | S | * | . | trans | -72.4 | 121 | 174 | 30.6 | -34.5 | 0 | 0 | 0 | 109.9 | H388 | P386-H388 PolarHBondContact O-N 2.9Å; P386-H388 PolarHBondContact O-ND1 2.92Å | ||
| 387 | F | 78.4 | Confident | 77.6 | Confident | 41 Ų | 41 | 88.8 Ų | 88.8 | 18% | 0.18 | 45% | 0.445 | C | S | . | . | trans | -76.4 | 115.4 | -176.1 | 179.9 | -98 | 0 | 0 | 0 | 112.4 | F248 C249 V252 S385 L389 L392 | F248-F387 HydrophobicContact CD1-CE1 4.03Å; F248-F387 AromaticContact CE1-CE1 3.62Å; F248-F387 HydrophobicContact CE1-CE1 3.62Å; F248-F387 AromaticContact CE1-CZ 3.75Å; F248-F387 HydrophobicContact CE1-CZ 3.75Å; F248-F387 HydrophobicContact CZ-CZ 4.43Å; C249-F387 HydrophobicContact CB-CD1 3.94Å; C249-F387 HydrophobicContact CB-CE1 4.41Å; V252-F387 HydrophobicContact CB-CD1 3.94Å; V252-F387 HydrophobicContact CB-CE1 3.97Å; V252-F387 HydrophobicContact CB-CG 4.27Å; V252-F387 HydrophobicContact CB-CZ 4.32Å; V252-F387 HydrophobicContact CG1-CB 4.44Å; V252-F387 HydrophobicContact CG1-CD1 3.91Å; V252-F387 HydrophobicContact CG1-CD2 3.72Å; V252-F387 HydrophobicContact CG1-CE1 4.05Å; V252-F387 HydrophobicContact CG1-CE2 3.85Å; V252-F387 HydrophobicContact CG1-CG 3.74Å; V252-F387 HydrophobicContact CG1-CZ 4.01Å; V252-F387 HydrophobicContact CG2-CD1 4.36Å; V252-F387 HydrophobicContact CG2-CE1 3.87Å; V252-F387 HydrophobicContact CG2-CZ 4.02Å; S385-F387 PolarHBondContact O-N 2.99Å; F387-L389 HydrophobicContact CE1-CB 4.3Å; F387-L389 HydrophobicContact CZ-CB 4.49Å; F387-L392 HydrophobicContact CE2-CD1 3.65Å; F387-L392 HydrophobicContact CZ-CD1 4Å | ||
| 388 | H | 76.3 | Confident | 76.1 | Confident | 95 Ų | 95 | 95 Ų | 95 | 44% | 0.44 | 48% | 0.475 | S | S | . | . | trans | -124 | 104.3 | 176.6 | -60.1 | 92.6 | 0 | 0 | 0 | 110.5 | P386 N390 Q391 | P386-H388 PolarHBondContact O-N 2.9Å; P386-H388 PolarHBondContact O-ND1 2.92Å; H388-N390 PolarHBondContact O-N 2.9Å; H388-N390 VanDerWaalsContact O-N 3.14Å; H388-Q391 HydrophobicContact CB-CG 4.07Å; H388-Q391 WeakPolarHBondContact O-CB 3.32Å; H388-Q391 PolarHBondContact O-N 3.07Å; H388-Q391 VanDerWaalsContact O-N 3.1Å | ||
| 389 | L | 74.9 | Confident | 73.8 | Confident | 41 Ų | 41 | 102.9 Ų | 102.9 | 22% | 0.215 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -55.9 | -34.2 | -179.4 | -179 | 62 | 0 | 0 | 0 | 113.2 | L245 F248 F387 Q391 L392 L393 | L245-L389 HydrophobicContact CD1-CB 3.82Å; L245-L389 HydrophobicContact CD1-CD2 3.43Å; L245-L389 VanDerWaalsContact CD1-CD2 3.43Å; L245-L389 HydrophobicContact CD1-CG 4.21Å; F248-L389 HydrophobicContact CD1-CD2 4.13Å; F248-L389 HydrophobicContact CE1-CD1 4.06Å; F248-L389 HydrophobicContact CE1-CD2 4.08Å; F248-L389 HydrophobicContact CE1-CG 4.44Å; F387-L389 HydrophobicContact CE1-CB 4.3Å; F387-L389 HydrophobicContact CZ-CB 4.49Å; L389-Q391 PolarHBondContact O-N 3.48Å; L389-L392 HydrophobicContact CD1-CB 4.44Å; L389-L392 HydrophobicContact CD1-CD1 4.34Å; L389-L392 WeakPolarHBondContact O-CA 2.97Å; L389-L392 WeakPolarHBondContact O-CB 3.34Å; L389-L392 PolarHBondContact O-N 3.47Å; L389-L393 HydrophobicContact CD1-CG 4.29Å; L389-L393 HydrophobicContact CD2-CD1 4.14Å; L389-L393 HydrophobicContact CG-CD1 3.89Å; L389-L393 HydrophobicContact CG-CG 4.04Å; L389-L393 PolarHBondContact O-N 2.94Å |
| 390 | N | 70.5 | Confident | 71.5 | Confident | 77 Ų | 77 | 105.2 Ų | 105.2 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57 | -34.3 | -179.7 | -64.5 | -7 | 0 | 0 | 0 | 112.3 | Q239 H388 L392 L393 E394 | Q239-N390 PolarHBondContact O-ND2 3.41Å; H388-N390 PolarHBondContact O-N 2.9Å; H388-N390 VanDerWaalsContact O-N 3.14Å; N390-L392 VanDerWaalsContact C-N 3.32Å; N390-L392 PolarHBondContact O-N 2.99Å; N390-L393 PolarHBondContact O-N 3.09Å; N390-E394 PolarHBondContact O-N 3.4Å; N390-E394 VanDerWaalsContact O-N 3.09Å |
| 391 | Q | 70.9 | Confident | 69.3 | Low | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.6 | -28.1 | 176.3 | -65.2 | 175.2 | -26.6 | 0 | 0 | 112.6 | H388 L389 F395 | H388-Q391 HydrophobicContact CB-CG 4.07Å; H388-Q391 WeakPolarHBondContact O-CB 3.32Å; H388-Q391 PolarHBondContact O-N 3.07Å; H388-Q391 VanDerWaalsContact O-N 3.1Å; L389-Q391 PolarHBondContact O-N 3.48Å; Q391-F395 WeakPolarHBondContact O-CD2 3.27Å; Q391-F395 VanDerWaalsContact O-CE2 3.32Å; Q391-F395 WeakPolarHBondContact O-CE2 3.32Å |
| 392 | L | 71.5 | Confident | 67.2 | Low | 96 Ų | 96 | 113.3 Ų | 113.3 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -79.7 | -35.1 | 174.4 | -59.8 | 175.2 | 0 | 0 | 0 | 111.4 | F387 L389 N390 E394 F395 T396 | F387-L392 HydrophobicContact CE2-CD1 3.65Å; F387-L392 HydrophobicContact CZ-CD1 4Å; L389-L392 HydrophobicContact CD1-CB 4.44Å; L389-L392 HydrophobicContact CD1-CD1 4.34Å; L389-L392 WeakPolarHBondContact O-CA 2.97Å; L389-L392 WeakPolarHBondContact O-CB 3.34Å; L389-L392 PolarHBondContact O-N 3.47Å; N390-L392 VanDerWaalsContact C-N 3.32Å; N390-L392 PolarHBondContact O-N 2.99Å; L392-E394 VanDerWaalsContact C-N 3.33Å; L392-F395 PolarHBondContact O-N 3.26Å; L392-T396 PolarHBondContact O-OG1 3.2Å |
| 393 | L | 70.2 | Confident | 66.2 | Low | 91 Ų | 91 | 116 Ų | 116 | 48% | 0.476 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.6 | -27.9 | 178.1 | -67.5 | 176.1 | 0 | 0 | 0 | 112.8 | L389 N390 F395 T396 | L389-L393 HydrophobicContact CD1-CG 4.29Å; L389-L393 HydrophobicContact CD2-CD1 4.14Å; L389-L393 HydrophobicContact CG-CD1 3.89Å; L389-L393 HydrophobicContact CG-CG 4.04Å; L389-L393 PolarHBondContact O-N 2.94Å; N390-L393 PolarHBondContact O-N 3.09Å; L393-F395 PolarHBondContact O-N 3.33Å; L393-T396 WeakPolarHBondContact O-CB 3.2Å; L393-T396 PolarHBondContact O-N 3.13Å |
| 394 | E | 66.9 | Low | 65 | Low | 154 Ų | 154 | 120.7 Ų | 120.7 | 72% | 0.72 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -35.5 | 174.9 | -171.9 | 170.5 | -172 | 0 | 0 | 112.8 | N390 L392 | N390-E394 PolarHBondContact O-N 3.4Å; N390-E394 VanDerWaalsContact O-N 3.09Å; L392-E394 VanDerWaalsContact C-N 3.33Å |
| 395 | F | 62.6 | Low | 64 | Low | 161 Ų | 161 | 119.2 Ų | 119.2 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 0.2 | 176.6 | -54.5 | -73.1 | 0 | 0 | 0 | 113.7 | Q391 L392 L393 H397 | Q391-F395 WeakPolarHBondContact O-CD2 3.27Å; Q391-F395 VanDerWaalsContact O-CE2 3.32Å; Q391-F395 WeakPolarHBondContact O-CE2 3.32Å; L392-F395 PolarHBondContact O-N 3.26Å; L393-F395 PolarHBondContact O-N 3.33Å; F395-H397 PolarHBondContact O-N 3.04Å |
| 396 | T | 61.1 | Low | 62.9 | Low | 74 Ų | 74 | 123.6 Ų | 123.6 | 45% | 0.454 | 62% | 0.618 | S | S | . | * | trans | -89.8 | 100.9 | -178.1 | -57 | 0 | 0 | 0 | 0 | 110 | L392 L393 I398 | L392-T396 PolarHBondContact O-OG1 3.2Å; L393-T396 WeakPolarHBondContact O-CB 3.2Å; L393-T396 PolarHBondContact O-N 3.13Å; T396-I398 PolarHBondContact O-N 3.16Å | ||
| 397 | H | 55.2 | Low | 61.8 | Low | 158 Ų | 158 | 125.4 Ų | 125.4 | 73% | 0.731 | 62% | 0.618 | S | S | * | * | trans | -63.2 | 99.9 | 169.8 | -65.4 | -57.1 | 0 | 0 | 0 | 110.3 | F395 W399 | F395-H397 PolarHBondContact O-N 3.04Å; H397-W399 PolarHBondContact O-N 3.15Å | ||
| 398 | I | 58.2 | Low | 60.7 | Low | 151 Ų | 151 | 131 Ų | 131 | 77% | 0.774 | 65% | 0.647 | S | S | * | * | trans | -70.9 | 95.1 | 172.1 | -57.3 | 177.8 | 0 | 0 | 0 | 107.8 | T396 K400 | T396-I398 PolarHBondContact O-N 3.16Å; I398-K400 VanDerWaalsContact C-N 3.35Å; I398-K400 PolarHBondContact O-N 3.27Å | ||
| 399 | W | 42.5 | Very low | 59.6 | Low | 225 Ų | 225 | 133.6 Ų | 133.6 | 85% | 0.852 | 66% | 0.662 | S | S | * | * | trans | -65.3 | 95.9 | 168.8 | -64.9 | 91.7 | 0 | 0 | 0 | 108.8 | H397 I401 | H397-W399 PolarHBondContact O-N 3.15Å; W399-I401 PolarHBondContact O-N 3.03Å | ||
| 400 | K | 41.9 | Very low | 58.4 | Low | 185 Ų | 185 | 140.7 Ų | 140.7 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -67.2 | 102.3 | 170.9 | -172.5 | 179.5 | -178.8 | -177.1 | 0 | 107.9 | I398 S402 | I398-K400 VanDerWaalsContact C-N 3.35Å; I398-K400 PolarHBondContact O-N 3.27Å; K400-S402 PolarHBondContact O-N 2.81Å; K400-S402 VanDerWaalsContact O-N 3.12Å | ||
| 401 | I | 43.3 | Very low | 57.4 | Low | 169 Ų | 169 | 146 Ų | 146 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | trans | -65.1 | 111 | 168.7 | -56.6 | 174.8 | 0 | 0 | 0 | 106.4 | W399 | W399-I401 PolarHBondContact O-N 3.03Š| ||
| 402 | S | 45 | Very low | 56.2 | Low | 174 Ų | 174 | 148.9 Ų | 148.9 | 100% | 1.217 | 74% | 0.737 | S | S | * | * | trans | -96.4 | 0 | -179.8 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | K400 | K400-S402 PolarHBondContact O-N 2.81Å; K400-S402 VanDerWaalsContact O-N 3.12Å |
Retrieved 402 of 402 residues in 351.7 ms
(Link to these results)