| 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 | 53.8 | Low | 72 | Confident | 247 Ų | 247 | 161.1 Ų | 161.1 | 100% | 1.217 | 85% | 0.85 | S | S | * | * | 0 | 128.6 | 0 | -67 | 163.8 | 65.6 | 0 | 0 | 108.1 | |||||
| 2 | K | 66.1 | Low | 71.9 | Confident | 209 Ų | 209 | 161.4 Ų | 161.4 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | trans | -101.4 | 119.8 | 176.5 | -65.3 | -90.6 | -176.1 | 172.4 | 0 | 107.7 | K4 | K2-K4 PolarHBondContact O-N 3.17Š| ||
| 3 | A | 74.9 | Confident | 71.7 | Confident | 94 Ų | 94 | 159.3 Ų | 159.3 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | trans | -68.5 | 126.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | T5 | A3-T5 PolarHBondContact O-N 3.12Š| ||
| 4 | K | 73.4 | Confident | 71.3 | Confident | 205 Ų | 205 | 158.7 Ų | 158.7 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | trans | -79.5 | 108 | 175.4 | -73.6 | 176.9 | 174.2 | 170.7 | 0 | 108 | K2 | K2-K4 PolarHBondContact O-N 3.17Š| ||
| 5 | T | 77.2 | Confident | 70.8 | Confident | 131 Ų | 131 | 154.9 Ų | 154.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 116.3 | 173.1 | -38.2 | 0 | 0 | 0 | 0 | 108.3 | A3 | A3-T5 PolarHBondContact O-N 3.12Š|
| 6 | Q | 70.6 | Confident | 70.2 | Confident | 162 Ų | 162 | 151.6 Ų | 151.6 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 127 | 173.7 | -72.2 | -76.3 | 4.4 | 0 | 0 | 108.7 | L8 | Q6-L8 PolarHBondContact O-N 2.74Š|
| 7 | P | 74.4 | Confident | 69.4 | Low | 115 Ų | 115 | 150.1 Ų | 150.1 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69 | 123.8 | 176.2 | 27.3 | -31.2 | 0 | 0 | 0 | 109.5 | R9 | P7-R9 PolarHBondContact O-N 2.81Š|
| 8 | L | 76.1 | Confident | 68.5 | Low | 175 Ų | 175 | 149.4 Ų | 149.4 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 124.5 | 174.4 | -73.2 | 167.9 | 0 | 0 | 0 | 109.2 | Q6 | Q6-L8 PolarHBondContact O-N 2.74Š|
| 9 | R | 76.8 | Confident | 67.8 | Low | 247 Ų | 247 | 146.3 Ų | 146.3 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 130.2 | 170.3 | -92.6 | -137.7 | -98.4 | 177 | -8.6 | 109.6 | P7 S11 | P7-R9 PolarHBondContact O-N 2.81Å; R9-S11 PolarHBondContact O-N 2.86Å |
| 10 | A | 75.8 | Confident | 66.9 | Low | 74 Ų | 74 | 148.2 Ų | 148.2 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 131.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 11 | S | 72.7 | Confident | 66.2 | Low | 113 Ų | 113 | 144.6 Ų | 144.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 126.6 | 171.9 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | R9 D13 | R9-S11 PolarHBondContact O-N 2.86Å; S11-D13 VanDerWaalsContact C-N 3.31Å; S11-D13 PolarHBondContact O-N 2.76Å |
| 12 | H | 70.9 | Confident | 65.8 | Low | 165 Ų | 165 | 138.1 Ų | 138.1 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -95.8 | 34.3 | 177.1 | -63.4 | -71.3 | 0 | 0 | 0 | 112.5 | I14 | H12-I14 VanDerWaalsContact C-N 3.35Å; H12-I14 PolarHBondContact O-N 3.08Å | ||
| 13 | D | 69.3 | Low | 65.1 | Low | 134 Ų | 134 | 139.7 Ų | 139.7 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | -83.2 | 86 | 176.7 | -154.3 | -2.2 | 0 | 0 | 0 | 109.1 | S11 V15 | S11-D13 VanDerWaalsContact C-N 3.31Å; S11-D13 PolarHBondContact O-N 2.76Å; D13-V15 VanDerWaalsContact C-N 3.3Å | ||
| 14 | I | 66 | Low | 63.7 | Low | 151 Ų | 151 | 142.2 Ų | 142.2 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | -99.9 | 39.9 | 178.8 | -42.3 | 172.8 | 0 | 0 | 0 | 109 | H12 P16 | H12-I14 VanDerWaalsContact C-N 3.35Å; H12-I14 PolarHBondContact O-N 3.08Å; I14-P16 WeakPolarHBondContact O-CD 3.35Å | ||
| 15 | V | 64.5 | Low | 62.7 | Low | 101 Ų | 101 | 136 Ų | 136 | 61% | 0.612 | 77% | 0.768 | S | S | * | * | trans | -92.4 | 111.1 | 166.2 | -171.2 | 0 | 0 | 0 | 0 | 106.8 | D13 T17 | D13-V15 VanDerWaalsContact C-N 3.3Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.41Å | ||
| 16 | P | 60.1 | Low | 61.2 | Low | 102 Ų | 102 | 137.8 Ų | 137.8 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | trans | -61.1 | 106.4 | 165.6 | 24.4 | -28.9 | 0 | 0 | 0 | 106.1 | I14 I18 | I14-P16 WeakPolarHBondContact O-CD 3.35Å; P16-I18 PolarHBondContact O-N 3.06Å | ||
| 17 | T | 57.1 | Low | 59.8 | Low | 126 Ų | 126 | 141.1 Ų | 141.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -64.2 | 90.7 | 166.9 | -61.4 | 0 | 0 | 0 | 0 | 105.2 | V15 A19 | V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.41Å; T17-A19 PolarHBondContact O-N 3.47Å | ||
| 18 | I | 54.1 | Low | 58.4 | Low | 139 Ų | 139 | 140.9 Ų | 140.9 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -64.5 | 94.3 | 165.9 | -54.9 | -176.1 | 0 | 0 | 0 | 103.5 | P16 Q20 | P16-I18 PolarHBondContact O-N 3.06Å; I18-Q20 PolarHBondContact O-N 3.38Å | ||
| 19 | A | 54.2 | Low | 57.1 | Low | 89 Ų | 89 | 138.1 Ų | 138.1 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -66.5 | 81.8 | 174 | 0 | 0 | 0 | 0 | 0 | 107.4 | T17 G21 | T17-A19 PolarHBondContact O-N 3.47Å; A19-G21 PolarHBondContact O-N 2.83Å; A19-G21 VanDerWaalsContact O-N 3.12Å | ||
| 20 | Q | 51 | Low | 55.3 | Low | 185 Ų | 185 | 130.7 Ų | 130.7 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -78.9 | 95.4 | 174.3 | -156.9 | 169.5 | -9.7 | 0 | 0 | 107 | I18 | I18-Q20 PolarHBondContact O-N 3.38Š| ||
| 21 | G | 52.1 | Low | 54 | Low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 94 | 93.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A19 | A19-G21 PolarHBondContact O-N 2.83Å; A19-G21 VanDerWaalsContact O-N 3.12Å | ||
| 22 | C | 44.3 | Very low | 52.4 | Low | 112 Ų | 112 | 135 Ų | 135 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -141.1 | 96.6 | 136 | -166.7 | 0 | 0 | 0 | 0 | 108.4 | N24 | C22-N24 PolarHBondContact O-N 3.28Š| ||
| 23 | R | 52.2 | Low | 51.3 | Low | 242 Ų | 242 | 134.9 Ų | 134.9 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | trans | -66.4 | 105.5 | 159.8 | -73.8 | 175.1 | 123.7 | -141.2 | 2.4 | 106.2 | ||||
| 24 | N | 44.7 | Very low | 50.1 | Low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -173.5 | 99.8 | 155.9 | -86.7 | -18.2 | 0 | 0 | 0 | 104.1 | C22 | C22-N24 PolarHBondContact O-N 3.28Š| ||
| 25 | G | 51.6 | Low | 49.1 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | 89.8 | 116.1 | 81.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 26 | Q | 45.9 | Very low | 47.8 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 89.9 | 104 | 169.2 | -66.1 | -82.9 | -35.7 | 0 | 0 | 119 | ||||
| 27 | R | 43 | Very low | 47.1 | Very low | 231 Ų | 231 | 137.2 Ų | 137.2 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | 68.7 | 105 | 127.2 | -130.8 | 178.5 | -131.7 | -168.1 | 3.5 | 119.1 | |||||
| 28 | S | 43.1 | Very low | 46.4 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -89.8 | 162.5 | 145.9 | -153.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | P | 49.8 | Very low | 45.9 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | cis | -136 | 167.2 | 11.1 | 40 | -21.4 | 0 | 0 | 0 | 116.4 | ||||
| 30 | A | 39.2 | Very low | 45.4 | Very low | 91 Ų | 91 | 143.3 Ų | 143.3 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 133.3 | 122.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 31 | P | 48.7 | Very low | 45.1 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | -85.8 | 114.4 | 158.6 | 30.1 | -25.5 | 0 | 0 | 0 | 109.9 | L33 | P31-L33 PolarHBondContact O-N 2.97Š| ||
| 32 | E | 39.3 | Very low | 44.7 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | trans | -72.1 | 117.2 | 173 | -161.3 | -157.4 | -170.8 | 0 | 0 | 109.9 | R34 | E32-R34 HydrophobicContact CG-CG 4.03Å; E32-R34 PolarHBondContact O-N 2.95Å; E32-R34 VanDerWaalsContact O-N 3.13Å; E32-R34 WeakPolarHBondContact OE1-CD 3.35Å; E32-R34 IonicContact OE1-NH1 3.92Å; E32-R34 WeakPolarHBondContact OE2-CG 3.09Å | ||
| 33 | L | 47.7 | Very low | 45 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -76.3 | 88.4 | 168.7 | -93.9 | 155.5 | 0 | 0 | 0 | 109.2 | P31 T35 | P31-L33 PolarHBondContact O-N 2.97Å; L33-T35 PolarHBondContact O-N 3.45Å | ||
| 34 | R | 43.7 | Very low | 44.9 | Very low | 180 Ų | 180 | 142 Ų | 142 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | -86.4 | 82.3 | 170 | -75.6 | -82 | -78.2 | -133.8 | -1.4 | 110.5 | E32 T36 | E32-R34 HydrophobicContact CG-CG 4.03Å; E32-R34 PolarHBondContact O-N 2.95Å; E32-R34 VanDerWaalsContact O-N 3.13Å; E32-R34 WeakPolarHBondContact OE1-CD 3.35Å; E32-R34 IonicContact OE1-NH1 3.92Å; E32-R34 WeakPolarHBondContact OE2-CG 3.09Å; R34-T36 PolarHBondContact O-N 3.13Å | ||
| 35 | T | 45.7 | Very low | 44.9 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -57.9 | 116.6 | 155.6 | 37 | 0 | 0 | 0 | 0 | 108.9 | L33 | L33-T35 PolarHBondContact O-N 3.45Š| ||
| 36 | T | 36.8 | Very low | 44.9 | Very low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -129.2 | 82.4 | 165.1 | -24 | 0 | 0 | 0 | 0 | 108.2 | R34 | R34-T36 PolarHBondContact O-N 3.13Š| ||
| 37 | S | 45 | Very low | 45 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -81.5 | 116 | 162.2 | 53.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 38 | A | 42.7 | Very low | 45.7 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | -120.2 | 102.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 39 | Y | 43.9 | Very low | 46.4 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | 45.1 | 75.7 | 63.5 | -157.8 | -95.8 | 0 | 0 | 0 | 113.6 | E41 | Y39-E41 HydrophobicContact CD1-CG 4.45Å; Y39-E41 HydrophobicContact CE1-CG 3.81Å; Y39-E41 VanDerWaalsContact CE1-OE1 3.25Å; Y39-E41 WeakPolarHBondContact CE1-OE1 3.32Å | |||
| 40 | R | 42.3 | Very low | 46.7 | Very low | 211 Ų | 211 | 140.4 Ų | 140.4 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | -141.7 | 95.9 | 149.1 | -64.6 | -65.7 | -82.9 | -139.9 | -8.2 | 105.5 | ||||
| 41 | E | 45.8 | Very low | 47.4 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 52% | 0.519 | 76% | 0.763 | S | S | . | * | 49.8 | 97 | 93.4 | -69.9 | 177.2 | 178.6 | 0 | 0 | 111.8 | Y39 | Y39-E41 HydrophobicContact CD1-CG 4.45Å; Y39-E41 HydrophobicContact CE1-CG 3.81Å; Y39-E41 VanDerWaalsContact CE1-OE1 3.25Å; Y39-E41 WeakPolarHBondContact CE1-OE1 3.32Å | |||
| 42 | N | 42.7 | Very low | 47.7 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -149.1 | 84.1 | 140.6 | -102.2 | -76.5 | 0 | 0 | 0 | 107.1 | Q44 | N42-Q44 PolarHBondContact O-N 3.49Š| ||
| 43 | L | 51.9 | Low | 48.4 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -71.2 | 110.9 | 159.5 | -71.9 | 166 | 0 | 0 | 0 | 106.7 | ||||
| 44 | Q | 50.1 | Low | 48.7 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | trans | -148.1 | 113.4 | 164.9 | -151.7 | 79.2 | 53.4 | 0 | 0 | 110.9 | N42 | N42-Q44 PolarHBondContact O-N 3.49Š| ||
| 45 | N | 44.1 | Very low | 49 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | 81.4 | 103.3 | 155.6 | -63.6 | -12.1 | 0 | 0 | 0 | 118.2 | ||||
| 46 | G | 51.5 | Low | 49.4 | Very low | 78 Ų | 78 | 135.5 Ų | 135.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -68.6 | 157.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 47 | N | 47.9 | Very low | 50 | Low | 138 Ų | 138 | 135.1 Ų | 135.1 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -148.9 | 116 | 139.9 | -157.9 | -28.7 | 0 | 0 | 0 | 108.5 | N49 | N47-N49 VanDerWaalsContact CG-ND2 3.29Å; N47-N49 PolarHBondContact O-N 2.88Å; N47-N49 PolarHBondContact OD1-ND2 3.16Å | ||
| 48 | L | 56.8 | Low | 50.3 | Low | 169 Ų | 169 | 136.8 Ų | 136.8 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -69.8 | 109.1 | 166.8 | -70.3 | 156.8 | 0 | 0 | 0 | 107.7 | ||||
| 49 | N | 57.8 | Low | 50.7 | Low | 127 Ų | 127 | 135.3 Ų | 135.3 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | trans | -145.8 | 96.8 | 156.9 | -66.5 | -70.1 | 0 | 0 | 0 | 109.3 | N47 | N47-N49 VanDerWaalsContact CG-ND2 3.29Å; N47-N49 PolarHBondContact O-N 2.88Å; N47-N49 PolarHBondContact OD1-ND2 3.16Å | ||
| 50 | D | 57.3 | Low | 51.4 | Low | 162 Ų | 162 | 134.3 Ų | 134.3 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | trans | -69.2 | 141.5 | 146 | -81.1 | -40 | 0 | 0 | 0 | 108 | ||||
| 51 | P | 53.8 | Low | 52.1 | Low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | -133.6 | 128.4 | 116.1 | 33.7 | -23 | 0 | 0 | 0 | 112.2 | |||||
| 52 | S | 55.6 | Low | 52.9 | Low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -63.3 | 123.8 | 150.7 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 53 | S | 52.8 | Low | 53.8 | Low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -177.6 | 120.4 | 142.3 | -137.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 54 | I | 55.4 | Low | 54.3 | Low | 140 Ų | 140 | 136.6 Ų | 136.6 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | 51.8 | 115.7 | 129.9 | -70.1 | 171.7 | 0 | 0 | 0 | 117.6 | |||||
| 55 | E | 48.3 | Very low | 54.9 | Low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | 170.3 | 122.7 | 109.8 | -169.2 | 74.2 | 170.1 | 0 | 0 | 110.3 | |||||
| 56 | S | 54.1 | Low | 56 | Low | 89 Ų | 89 | 138.7 Ų | 138.7 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | trans | 24.7 | 114.4 | 142.3 | -157.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 57 | S | 49.3 | Very low | 56.7 | Low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -146 | 111.4 | 134.1 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | G59 | S57-G59 VanDerWaalsContact C-N 3.28Å; S57-G59 PolarHBondContact O-N 3.48Å | ||
| 58 | N | 52.6 | Low | 57.7 | Low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -54.9 | 97.8 | 166.5 | -64.3 | -35.9 | 0 | 0 | 0 | 107.4 | Q60 | N58-Q60 PolarHBondContact O-N 3.46Š| ||
| 59 | G | 51.5 | Low | 58.2 | Low | 59 Ų | 59 | 138.7 Ų | 138.7 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | trans | -64.5 | 78.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | S57 W61 | S57-G59 VanDerWaalsContact C-N 3.28Å; S57-G59 PolarHBondContact O-N 3.48Å; G59-W61 PolarHBondContact O-N 3.43Å | ||
| 60 | Q | 56.9 | Low | 58.9 | Low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -57.2 | 95.3 | 158.4 | -177.7 | 118.1 | 46.2 | 0 | 0 | 104.7 | N58 | N58-Q60 PolarHBondContact O-N 3.46Š| ||
| 61 | W | 58.5 | Low | 59.7 | Low | 224 Ų | 224 | 136 Ų | 136 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | trans | -43.1 | 128.9 | 167.1 | -66.3 | 93.1 | 0 | 0 | 0 | 106.9 | G59 K63 | G59-W61 PolarHBondContact O-N 3.43Å; W61-K63 PolarHBondContact O-N 2.9Å | ||
| 62 | P | 61.3 | Low | 60.7 | Low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | trans | -49.1 | 123.2 | 173.1 | -23.2 | 31.6 | 0 | 0 | 0 | 107 | Q64 | P62-Q64 PolarHBondContact O-N 3.36Š| ||
| 63 | K | 62.6 | Low | 61.6 | Low | 182 Ų | 182 | 141.8 Ų | 141.8 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | -47.1 | 111.3 | 176.6 | -75.2 | 173.9 | 177.1 | 175.8 | 0 | 106.8 | W61 E65 | W61-K63 PolarHBondContact O-N 2.9Å; K63-E65 PolarHBondContact O-N 2.96Å | ||
| 64 | Q | 61.7 | Low | 63 | Low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | -8.7 | 92.4 | 171.4 | -170.5 | 173 | 10.8 | 0 | 0 | 111.3 | P62 M66 | P62-Q64 PolarHBondContact O-N 3.36Å; Q64-M66 PolarHBondContact O-N 3.1Å | ||
| 65 | E | 63 | Low | 64.4 | Low | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | trans | -53.4 | 132.1 | 168.2 | -70.9 | -175.7 | 166.7 | 0 | 0 | 106.3 | K63 | K63-E65 PolarHBondContact O-N 2.96Š| ||
| 66 | M | 68 | Low | 66.3 | Low | 169 Ų | 169 | 142.6 Ų | 142.6 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | trans | -44.9 | 129.8 | 175.4 | -64.2 | 168.6 | 66.6 | 0 | 0 | 107.7 | Q64 L68 | Q64-M66 PolarHBondContact O-N 3.1Å; M66-L68 PolarHBondContact O-N 3.23Å | ||
| 67 | P | 65.4 | Low | 68 | Low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | trans | -58.6 | 116.2 | -178.7 | 23.4 | -31.1 | 0 | 0 | 0 | 107.2 | S69 | P67-S69 PolarHBondContact O-N 2.89Š| ||
| 68 | L | 68.8 | Low | 70 | Confident | 158 Ų | 158 | 139.7 Ų | 139.7 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | trans | -44.3 | 133.6 | 160.5 | -73.5 | 167.5 | 0 | 0 | 0 | 105.9 | M66 H70 | M66-L68 PolarHBondContact O-N 3.23Å; L68-H70 PolarHBondContact O-N 3.17Å | ||
| 69 | S | 68.2 | Low | 72 | Confident | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -58.2 | 89.2 | 176.3 | 58.2 | 0 | 0 | 0 | 0 | 107.9 | P67 V71 | P67-S69 PolarHBondContact O-N 2.89Å; S69-V71 PolarHBondContact O-N 3.24Å | ||
| 70 | H | 72.3 | Confident | 74.1 | Confident | 137 Ų | 137 | 140.6 Ų | 140.6 | 63% | 0.634 | 70% | 0.703 | S | S | * | * | trans | -77.7 | 83.6 | -177.1 | -178 | -115.6 | 0 | 0 | 0 | 105.3 | L68 R72 | L68-H70 PolarHBondContact O-N 3.17Å; H70-R72 VanDerWaalsContact C-N 3.27Å; H70-R72 WeakPolarHBondContact CE1-CG 3.36Å; H70-R72 VanDerWaalsContact ND1-CG 3.33Å; H70-R72 WeakPolarHBondContact ND1-CG 3.18Å; H70-R72 PolarHBondContact O-N 3.08Å | ||
| 71 | V | 74.5 | Confident | 75.8 | Confident | 94 Ų | 94 | 134.9 Ų | 134.9 | 57% | 0.57 | 68% | 0.684 | S | S | * | * | trans | -65.8 | 97.3 | 168.6 | 179.7 | 0 | 0 | 0 | 0 | 105.2 | S69 F73 | S69-V71 PolarHBondContact O-N 3.24Å; V71-F73 HydrophobicContact CG1-CE1 4.4Å; V71-F73 HydrophobicContact CG1-CE2 4.39Å; V71-F73 HydrophobicContact CG1-CZ 4.26Å; V71-F73 PolarHBondContact O-N 2.8Å | ||
| 72 | R | 74.8 | Confident | 77.6 | Confident | 183 Ų | 183 | 130 Ų | 130 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | trans | -69.6 | 111.2 | 165.4 | -62.3 | -173.5 | 82.3 | 104.3 | 3.4 | 105.1 | H70 E74 | H70-R72 VanDerWaalsContact C-N 3.27Å; H70-R72 WeakPolarHBondContact CE1-CG 3.36Å; H70-R72 VanDerWaalsContact ND1-CG 3.33Å; H70-R72 WeakPolarHBondContact ND1-CG 3.18Å; H70-R72 PolarHBondContact O-N 3.08Å; R72-E74 PolarHBondContact O-N 3.24Å | ||
| 73 | F | 73.9 | Confident | 79.3 | Confident | 172 Ų | 172 | 130.9 Ų | 130.9 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 119.7 | 162.9 | -66.1 | -83.7 | 0 | 0 | 0 | 105.6 | V71 D75 | V71-F73 HydrophobicContact CG1-CE1 4.4Å; V71-F73 HydrophobicContact CG1-CE2 4.39Å; V71-F73 HydrophobicContact CG1-CZ 4.26Å; V71-F73 PolarHBondContact O-N 2.8Å; F73-D75 PolarHBondContact O-N 3.28Å |
| 74 | E | 82.7 | Confident | 80.9 | Confident | 169 Ų | 169 | 128.5 Ų | 128.5 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 119.6 | 171.2 | -66.4 | -59 | 150.7 | 0 | 0 | 107.1 | R72 | R72-E74 PolarHBondContact O-N 3.24Š|
| 75 | D | 85.1 | Confident | 82.5 | Confident | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 139.3 | 175.2 | -74.7 | -25.3 | 0 | 0 | 0 | 108.9 | F73 S77 | F73-D75 PolarHBondContact O-N 3.28Å; D75-S77 PolarHBondContact O-N 2.73Å |
| 76 | E | 87.4 | Confident | 84.1 | Confident | 108 Ų | 108 | 122.7 Ų | 122.7 | 51% | 0.505 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -56 | 129.1 | 174.8 | -175.2 | 174.6 | 174.5 | 0 | 0 | 109.6 | E80 A81 R84 | E76-E80 HydrophobicContact CG-CB 3.54Å; E76-E80 HydrophobicContact CG-CG 3.6Å; E76-E80 WeakPolarHBondContact OE1-CG 3.39Å; E76-A81 HydrophobicContact CG-CB 4.41Å; E76-A81 VanDerWaalsContact OE1-CA 3.25Å; E76-A81 WeakPolarHBondContact OE1-CA 3.15Å; E76-A81 PolarHBondContact OE1-N 2.88Å; E76-A81 VanDerWaalsContact OE1-N 3.09Å; E76-R84 WeakPolarHBondContact OE1-CG 3.46Å |
| 77 | S | 90.3 | Very high | 85.4 | Confident | 69 Ų | 69 | 117.6 Ų | 117.6 | 48% | 0.483 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 151.7 | 176.9 | 75.8 | 0 | 0 | 0 | 0 | 110.7 | D75 H79 E80 A81 | D75-S77 PolarHBondContact O-N 2.73Å; S77-H79 PolarHBondContact O-N 3.18Å; S77-H79 VanDerWaalsContact O-N 3.15Å; S77-E80 PolarHBondContact O-N 3.39Å; S77-E80 WeakPolarHBondContact OG-CB 3.48Å; S77-E80 PolarHBondContact OG-N 2.89Å; S77-A81 PolarHBondContact O-N 3.49Å |
| 78 | A | 90.9 | Very high | 86.9 | Confident | 72 Ų | 72 | 118 Ų | 118 | 60% | 0.595 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -53.8 | -38.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A81 E82 | A78-A81 PolarHBondContact O-N 3.44Å; A78-E82 WeakPolarHBondContact O-CB 3.33Å; A78-E82 VanDerWaalsContact O-CG 3.32Å; A78-E82 WeakPolarHBondContact O-CG 3.23Å; A78-E82 PolarHBondContact O-N 3.33Å |
| 79 | H | 94.3 | Very high | 88.2 | Confident | 131 Ų | 131 | 113 Ų | 113 | 61% | 0.606 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -41.7 | 177.3 | 179.4 | -87.9 | 0 | 0 | 0 | 112.9 | S77 E82 F83 | S77-H79 PolarHBondContact O-N 3.18Å; S77-H79 VanDerWaalsContact O-N 3.15Å; H79-E82 PolarHBondContact O-N 3.46Å; H79-F83 WeakPolarHBondContact O-CB 3.39Å; H79-F83 PolarHBondContact O-N 3.31Å |
| 80 | E | 94.6 | Very high | 89.4 | Confident | 92 Ų | 92 | 113.1 Ų | 113.1 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 177.8 | -170 | 69.2 | -145.9 | 0 | 0 | 110.4 | E76 S77 E82 F83 R84 | E76-E80 HydrophobicContact CG-CB 3.54Å; E76-E80 HydrophobicContact CG-CG 3.6Å; E76-E80 WeakPolarHBondContact OE1-CG 3.39Å; S77-E80 PolarHBondContact O-N 3.39Å; S77-E80 WeakPolarHBondContact OG-CB 3.48Å; S77-E80 PolarHBondContact OG-N 2.89Å; E80-E82 PolarHBondContact O-N 3.49Å; E80-F83 PolarHBondContact O-N 3.18Å; E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 2.92Å |
| 81 | A | 94.3 | Very high | 90.4 | Very high | 43 Ų | 43 | 111.5 Ų | 111.5 | 36% | 0.355 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E76 S77 A78 R84 Y85 | E76-A81 HydrophobicContact CG-CB 4.41Å; E76-A81 VanDerWaalsContact OE1-CA 3.25Å; E76-A81 WeakPolarHBondContact OE1-CA 3.15Å; E76-A81 PolarHBondContact OE1-N 2.88Å; E76-A81 VanDerWaalsContact OE1-N 3.09Å; S77-A81 PolarHBondContact O-N 3.49Å; A78-A81 PolarHBondContact O-N 3.44Å; A81-R84 PolarHBondContact O-N 3.13Å; A81-Y85 WeakPolarHBondContact O-CB 3.21Å; A81-Y85 PolarHBondContact O-N 2.81Å |
| 82 | E | 95.9 | Very high | 91.2 | Very high | 121 Ų | 121 | 113.6 Ų | 113.6 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.8 | -45.9 | 174.2 | -77.9 | 175.5 | -165.3 | 0 | 0 | 111.6 | A78 H79 E80 R84 Y85 L86 | A78-E82 WeakPolarHBondContact O-CB 3.33Å; A78-E82 VanDerWaalsContact O-CG 3.32Å; A78-E82 WeakPolarHBondContact O-CG 3.23Å; A78-E82 PolarHBondContact O-N 3.33Å; H79-E82 PolarHBondContact O-N 3.46Å; E80-E82 PolarHBondContact O-N 3.49Å; E82-R84 VanDerWaalsContact C-N 3.33Å; E82-R84 PolarHBondContact O-N 2.87Å; E82-Y85 WeakPolarHBondContact O-CB 3.5Å; E82-Y85 PolarHBondContact O-N 2.78Å; E82-Y85 VanDerWaalsContact O-N 3.15Å; E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 3.4Å |
| 83 | F | 96.6 | Very high | 91.9 | Very high | 124 Ų | 124 | 110.4 Ų | 110.4 | 54% | 0.544 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 177 | -176.5 | -96.6 | 0 | 0 | 0 | 111.4 | H79 E80 Y85 L86 D87 | H79-F83 WeakPolarHBondContact O-CB 3.39Å; H79-F83 PolarHBondContact O-N 3.31Å; E80-F83 PolarHBondContact O-N 3.18Å; F83-Y85 VanDerWaalsContact C-N 3.28Å; F83-Y85 PolarHBondContact O-N 2.96Å; F83-L86 PolarHBondContact O-N 3.05Å; F83-D87 PolarHBondContact O-N 3.31Å |
| 84 | R | 95.4 | Very high | 92.6 | Very high | 132 Ų | 132 | 110.7 Ų | 110.7 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 177.1 | -67.2 | -80.2 | -84.6 | -169.6 | -7.7 | 112.4 | E76 E80 A81 E82 R88 | E76-R84 WeakPolarHBondContact OE1-CG 3.46Å; E80-R84 WeakPolarHBondContact O-CG 3.43Å; E80-R84 PolarHBondContact O-N 2.92Å; A81-R84 PolarHBondContact O-N 3.13Å; E82-R84 VanDerWaalsContact C-N 3.33Å; E82-R84 PolarHBondContact O-N 2.87Å; R84-R88 WeakPolarHBondContact O-CG 3.28Å; R84-R88 PolarHBondContact O-N 3.19Å |
| 85 | Y | 95.3 | Very high | 92.6 | Very high | 124 Ų | 124 | 109.1 Ų | 109.1 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.9 | -46.3 | 174.1 | 171.9 | -100 | 0 | 0 | 0 | 112 | A81 E82 F83 R88 L89 | A81-Y85 WeakPolarHBondContact O-CB 3.21Å; A81-Y85 PolarHBondContact O-N 2.81Å; E82-Y85 WeakPolarHBondContact O-CB 3.5Å; E82-Y85 PolarHBondContact O-N 2.78Å; E82-Y85 VanDerWaalsContact O-N 3.15Å; F83-Y85 VanDerWaalsContact C-N 3.28Å; F83-Y85 PolarHBondContact O-N 2.96Å; Y85-R88 PolarHBondContact O-N 3.26Å; Y85-L89 HydrophobicContact CE1-CD2 4.45Å; Y85-L89 PolarHBondContact O-N 2.82Å |
| 86 | L | 97.1 | Very high | 92.3 | Very high | 100 Ų | 100 | 106 Ų | 106 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 179 | -68.4 | 177.4 | 0 | 0 | 0 | 112 | E82 F83 R88 L89 Q90 | E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 3.4Å; F83-L86 PolarHBondContact O-N 3.05Å; L86-R88 PolarHBondContact O-N 3.18Å; L86-L89 WeakPolarHBondContact O-CB 3.35Å; L86-L89 PolarHBondContact O-N 3.32Å; L86-L89 VanDerWaalsContact O-N 3.11Å; L86-Q90 WeakPolarHBondContact O-CB 3.41Å; L86-Q90 PolarHBondContact O-N 3.19Å |
| 87 | D | 95.8 | Very high | 91.9 | Very high | 61 Ų | 61 | 106 Ų | 106 | 33% | 0.326 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -48 | 174.6 | 179.9 | 49 | 0 | 0 | 0 | 111.1 | F83 L89 Q90 Q91 | F83-D87 PolarHBondContact O-N 3.31Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 PolarHBondContact O-N 3.1Å; D87-Q90 PolarHBondContact O-N 3.23Å; D87-Q91 WeakPolarHBondContact O-CB 3.24Å; D87-Q91 VanDerWaalsContact O-CG 3.28Å; D87-Q91 WeakPolarHBondContact O-CG 3.27Å; D87-Q91 PolarHBondContact O-N 3.46Å; D87-Q91 PolarHBondContact OD1-NE2 2.97Å; D87-Q91 PolarHBondContact OD2-NE2 2.96Å |
| 88 | R | 96.9 | Very high | 91.1 | Very high | 126 Ų | 126 | 106.3 Ų | 106.3 | 48% | 0.475 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 173.4 | -79.3 | -168.8 | -66.3 | -97.2 | -0.5 | 112.7 | R84 Y85 L86 R92 | R84-R88 WeakPolarHBondContact O-CG 3.28Å; R84-R88 PolarHBondContact O-N 3.19Å; Y85-R88 PolarHBondContact O-N 3.26Å; L86-R88 PolarHBondContact O-N 3.18Å; R88-R92 WeakPolarHBondContact O-CG 3.35Å; R88-R92 PolarHBondContact O-N 2.76Å; R88-R92 VanDerWaalsContact O-N 3.14Å |
| 89 | L | 95.9 | Very high | 90.2 | Very high | 54 Ų | 54 | 106.8 Ų | 106.8 | 28% | 0.283 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 177.5 | -175.1 | 63 | 0 | 0 | 0 | 111 | Y85 L86 D87 R92 Q93 | Y85-L89 HydrophobicContact CE1-CD2 4.45Å; Y85-L89 PolarHBondContact O-N 2.82Å; L86-L89 WeakPolarHBondContact O-CB 3.35Å; L86-L89 PolarHBondContact O-N 3.32Å; L86-L89 VanDerWaalsContact O-N 3.11Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 PolarHBondContact O-N 3.1Å; L89-R92 PolarHBondContact O-N 3.28Å; L89-Q93 WeakPolarHBondContact O-CG 3.45Å; L89-Q93 PolarHBondContact O-N 3.41Å |
| 90 | Q | 94.2 | Very high | 89.1 | Confident | 112 Ų | 112 | 104.2 Ų | 104.2 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 177.8 | -173.8 | 176.2 | -9.2 | 0 | 0 | 111.5 | L86 D87 R92 Q93 R94 | L86-Q90 WeakPolarHBondContact O-CB 3.41Å; L86-Q90 PolarHBondContact O-N 3.19Å; D87-Q90 PolarHBondContact O-N 3.23Å; Q90-R92 VanDerWaalsContact C-N 3.34Å; Q90-R92 PolarHBondContact O-N 2.92Å; Q90-Q93 PolarHBondContact O-N 3.36Å; Q90-R94 WeakPolarHBondContact O-CG 3.46Å; Q90-R94 PolarHBondContact O-N 3.44Å |
| 91 | Q | 93.3 | Very high | 87.9 | Confident | 103 Ų | 103 | 105.1 Ų | 105.1 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 175.1 | -74.1 | 174.3 | 7.7 | 0 | 0 | 111.8 | D87 Q93 R94 Q95 | D87-Q91 WeakPolarHBondContact O-CB 3.24Å; D87-Q91 VanDerWaalsContact O-CG 3.28Å; D87-Q91 WeakPolarHBondContact O-CG 3.27Å; D87-Q91 PolarHBondContact O-N 3.46Å; D87-Q91 PolarHBondContact OD1-NE2 2.97Å; D87-Q91 PolarHBondContact OD2-NE2 2.96Å; Q91-Q93 PolarHBondContact O-N 2.86Å; Q91-R94 PolarHBondContact O-N 3.35Å; Q91-Q95 WeakPolarHBondContact O-CB 3.43Å; Q91-Q95 PolarHBondContact O-N 2.99Å |
| 92 | R | 91 | Very high | 86.4 | Confident | 139 Ų | 139 | 107.1 Ų | 107.1 | 53% | 0.525 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 175.7 | -74.5 | -174 | -64.1 | -155.5 | 1.9 | 112.2 | R88 L89 Q90 Q95 V96 | R88-R92 WeakPolarHBondContact O-CG 3.35Å; R88-R92 PolarHBondContact O-N 2.76Å; R88-R92 VanDerWaalsContact O-N 3.14Å; L89-R92 PolarHBondContact O-N 3.28Å; Q90-R92 VanDerWaalsContact C-N 3.34Å; Q90-R92 PolarHBondContact O-N 2.92Å; R92-Q95 PolarHBondContact O-N 2.91Å; R92-V96 WeakPolarHBondContact O-CG2 3.25Å; R92-V96 PolarHBondContact O-N 3.3Å |
| 93 | Q | 89.8 | Confident | 84.7 | Confident | 115 Ų | 115 | 104.1 Ų | 104.1 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.6 | -72.1 | 178.2 | 1.4 | 0 | 0 | 111.7 | L89 Q90 Q91 Q95 V96 L97 | L89-Q93 WeakPolarHBondContact O-CG 3.45Å; L89-Q93 PolarHBondContact O-N 3.41Å; Q90-Q93 PolarHBondContact O-N 3.36Å; Q91-Q93 PolarHBondContact O-N 2.86Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 2.91Å; Q93-V96 PolarHBondContact O-N 3.09Å; Q93-L97 WeakPolarHBondContact O-CB 3.31Å; Q93-L97 VanDerWaalsContact O-CG 3.31Å; Q93-L97 WeakPolarHBondContact O-CG 3.5Å; Q93-L97 PolarHBondContact O-N 3.23Å |
| 94 | R | 87.7 | Confident | 83 | Confident | 178 Ų | 178 | 103.3 Ų | 103.3 | 67% | 0.672 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -38.4 | 176.1 | -67.8 | -176.7 | 89.8 | -155.7 | 5.5 | 112 | Q90 Q91 S98 | Q90-R94 WeakPolarHBondContact O-CG 3.46Å; Q90-R94 PolarHBondContact O-N 3.44Å; Q91-R94 PolarHBondContact O-N 3.35Å; R94-S98 VanDerWaalsContact O-CB 3.24Å; R94-S98 WeakPolarHBondContact O-CB 3.24Å; R94-S98 PolarHBondContact O-N 3.48Å |
| 95 | Q | 82.6 | Confident | 81.3 | Confident | 137 Ų | 137 | 103.5 Ų | 103.5 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.3 | -43 | 177.2 | -167 | 162.8 | 21.3 | 0 | 0 | 111.6 | Q91 R92 Q93 S98 T99 | Q91-Q95 WeakPolarHBondContact O-CB 3.43Å; Q91-Q95 PolarHBondContact O-N 2.99Å; R92-Q95 PolarHBondContact O-N 2.91Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 2.91Å; Q95-S98 PolarHBondContact O-N 3.05Å; Q95-T99 VanDerWaalsContact O-CG2 3.28Å; Q95-T99 WeakPolarHBondContact O-CG2 3.45Å; Q95-T99 PolarHBondContact O-N 3.48Å; Q95-T99 PolarHBondContact O-OG1 3.21Å |
| 96 | V | 79.1 | Confident | 79.7 | Confident | 85 Ų | 85 | 100 Ų | 100 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 174 | 172 | 0 | 0 | 0 | 0 | 110.6 | R92 Q93 S98 T99 V100 | R92-V96 WeakPolarHBondContact O-CG2 3.25Å; R92-V96 PolarHBondContact O-N 3.3Å; Q93-V96 PolarHBondContact O-N 3.09Å; V96-S98 VanDerWaalsContact C-N 3.33Å; V96-S98 PolarHBondContact O-N 3.38Å; V96-T99 WeakPolarHBondContact CA-OG1 3.1Å; V96-T99 PolarHBondContact O-N 2.76Å; V96-T99 PolarHBondContact O-OG1 2.99Å; V96-V100 HydrophobicContact CG1-CG2 4.32Å; V96-V100 WeakPolarHBondContact O-CG2 3.36Å; V96-V100 PolarHBondContact O-N 3.49Å |
| 97 | L | 79.3 | Confident | 78 | Confident | 109 Ų | 109 | 96.8 Ų | 96.8 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.1 | -44.1 | 178 | -69.1 | 174.3 | 0 | 0 | 0 | 111.8 | Q93 T99 V100 L101 | Q93-L97 WeakPolarHBondContact O-CB 3.31Å; Q93-L97 VanDerWaalsContact O-CG 3.31Å; Q93-L97 WeakPolarHBondContact O-CG 3.5Å; Q93-L97 PolarHBondContact O-N 3.23Å; L97-T99 PolarHBondContact O-N 2.86Å; L97-V100 PolarHBondContact O-N 3.33Å; L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 VanDerWaalsContact O-CG 3.23Å; L97-L101 WeakPolarHBondContact O-CG 3.41Å; L97-L101 PolarHBondContact O-N 3.21Å |
| 98 | S | 73.6 | Confident | 76.5 | Confident | 74 Ų | 74 | 100.2 Ų | 100.2 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 112 | R94 Q95 V96 V100 L101 H102 | R94-S98 VanDerWaalsContact O-CB 3.24Å; R94-S98 WeakPolarHBondContact O-CB 3.24Å; R94-S98 PolarHBondContact O-N 3.48Å; Q95-S98 PolarHBondContact O-N 3.05Å; V96-S98 VanDerWaalsContact C-N 3.33Å; V96-S98 PolarHBondContact O-N 3.38Å; S98-V100 PolarHBondContact O-N 3.14Å; S98-L101 PolarHBondContact O-N 2.83Å; S98-H102 WeakPolarHBondContact O-CB 3.15Å; S98-H102 PolarHBondContact O-N 3.31Å |
| 99 | T | 72.7 | Confident | 74.7 | Confident | 82 Ų | 82 | 100.2 Ų | 100.2 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 177.7 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | Q95 V96 L97 A103 | Q95-T99 VanDerWaalsContact O-CG2 3.28Å; Q95-T99 WeakPolarHBondContact O-CG2 3.45Å; Q95-T99 PolarHBondContact O-N 3.48Å; Q95-T99 PolarHBondContact O-OG1 3.21Å; V96-T99 WeakPolarHBondContact CA-OG1 3.1Å; V96-T99 PolarHBondContact O-N 2.76Å; V96-T99 PolarHBondContact O-OG1 2.99Å; L97-T99 PolarHBondContact O-N 2.86Å; T99-A103 WeakPolarHBondContact O-CB 3.46Å; T99-A103 PolarHBondContact O-N 2.92Å |
| 100 | V | 70.4 | Confident | 73.1 | Confident | 78 Ų | 78 | 108.2 Ų | 108.2 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.6 | -47.3 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | V96 L97 S98 H102 A103 V104 | V96-V100 HydrophobicContact CG1-CG2 4.32Å; V96-V100 WeakPolarHBondContact O-CG2 3.36Å; V96-V100 PolarHBondContact O-N 3.49Å; L97-V100 PolarHBondContact O-N 3.33Å; S98-V100 PolarHBondContact O-N 3.14Å; V100-H102 VanDerWaalsContact C-N 3.33Å; V100-H102 PolarHBondContact O-N 3.43Å; V100-A103 PolarHBondContact O-N 2.85Å; V100-A103 VanDerWaalsContact O-N 3.13Å; V100-V104 HydrophobicContact CG1-CG2 4.48Å; V100-V104 WeakPolarHBondContact O-CG2 3.49Å; V100-V104 PolarHBondContact O-N 3.33Å |
| 101 | L | 69.1 | Low | 71.8 | Confident | 111 Ų | 111 | 107.6 Ų | 107.6 | 58% | 0.581 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.6 | -47.1 | 176.4 | -70.6 | 172.7 | 0 | 0 | 0 | 111 | L97 S98 A103 V104 D105 | L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 VanDerWaalsContact O-CG 3.23Å; L97-L101 WeakPolarHBondContact O-CG 3.41Å; L97-L101 PolarHBondContact O-N 3.21Å; S98-L101 PolarHBondContact O-N 2.83Å; L101-A103 VanDerWaalsContact C-N 3.3Å; L101-A103 PolarHBondContact O-N 2.88Å; L101-V104 PolarHBondContact O-N 3.23Å; L101-V104 VanDerWaalsContact O-N 3.16Å; L101-D105 PolarHBondContact O-N 3.33Å |
| 102 | H | 62.6 | Low | 70.7 | Confident | 85 Ų | 85 | 110.4 Ų | 110.4 | 39% | 0.394 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.2 | -30.9 | 177 | -170.7 | -87.7 | 0 | 0 | 0 | 113 | S98 V100 Q106 | S98-H102 WeakPolarHBondContact O-CB 3.15Å; S98-H102 PolarHBondContact O-N 3.31Å; V100-H102 VanDerWaalsContact C-N 3.33Å; V100-H102 PolarHBondContact O-N 3.43Å; H102-Q106 PolarHBondContact CE1-NE2 2.68Å; H102-Q106 PolarHBondContact NE2-NE2 3.48Å; H102-Q106 WeakPolarHBondContact O-CB 3.4Å; H102-Q106 WeakPolarHBondContact O-CG 3.43Å; H102-Q106 PolarHBondContact O-N 3.11Å; H102-Q106 VanDerWaalsContact O-N 3.1Å |
| 103 | A | 61.1 | Low | 69.5 | Low | 57 Ų | 57 | 109.5 Ų | 109.5 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.6 | -31.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T99 V100 L101 G107 | T99-A103 WeakPolarHBondContact O-CB 3.46Å; T99-A103 PolarHBondContact O-N 2.92Å; V100-A103 PolarHBondContact O-N 2.85Å; V100-A103 VanDerWaalsContact O-N 3.13Å; L101-A103 VanDerWaalsContact C-N 3.3Å; L101-A103 PolarHBondContact O-N 2.88Å; A103-G107 PolarHBondContact O-N 3.23Å |
| 104 | V | 61.3 | Low | 68.7 | Low | 107 Ų | 107 | 106.3 Ų | 106.3 | 65% | 0.648 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.4 | -43.1 | 173.6 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | V100 L101 Q106 G107 | V100-V104 HydrophobicContact CG1-CG2 4.48Å; V100-V104 WeakPolarHBondContact O-CG2 3.49Å; V100-V104 PolarHBondContact O-N 3.33Å; L101-V104 PolarHBondContact O-N 3.23Å; L101-V104 VanDerWaalsContact O-N 3.16Å; V104-Q106 PolarHBondContact O-N 3.43Å; V104-G107 PolarHBondContact O-N 3.37Å |
| 105 | D | 59.1 | Low | 68 | Low | 137 Ų | 137 | 103.6 Ų | 103.6 | 73% | 0.733 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.1 | -29.3 | -179 | -68.2 | -23.1 | 0 | 0 | 0 | 113.1 | L101 | L101-D105 PolarHBondContact O-N 3.33Å |
| 106 | Q | 61.7 | Low | 67.5 | Low | 50 Ų | 50 | 100.3 Ų | 100.3 | 23% | 0.234 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -88.2 | -7.7 | 178.8 | -70.1 | -157.6 | -7.3 | 0 | 0 | 115 | H102 V104 | H102-Q106 PolarHBondContact CE1-NE2 2.68Å; H102-Q106 PolarHBondContact NE2-NE2 3.48Å; H102-Q106 WeakPolarHBondContact O-CB 3.4Å; H102-Q106 WeakPolarHBondContact O-CG 3.43Å; H102-Q106 PolarHBondContact O-N 3.11Å; H102-Q106 VanDerWaalsContact O-N 3.1Å; V104-Q106 PolarHBondContact O-N 3.43Å |
| 107 | G | 60.5 | Low | 67.2 | Low | 33 Ų | 33 | 101.2 Ų | 101.2 | 34% | 0.34 | 57% | 0.565 | S | S | . | * | trans | 56.5 | -178.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A103 V104 L109 | A103-G107 PolarHBondContact O-N 3.23Å; V104-G107 PolarHBondContact O-N 3.37Å; G107-L109 PolarHBondContact O-N 3.34Å; G107-L109 VanDerWaalsContact O-N 3.08Å | ||
| 108 | P | 64.4 | Low | 66.8 | Low | 133 Ų | 133 | 103.3 Ų | 103.3 | 86% | 0.864 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -63.6 | -17.9 | -176.6 | -20.2 | 30.8 | 0 | 0 | 0 | 114.4 | R110 | P108-R110 PolarHBondContact O-N 2.91Š|
| 109 | L | 59.9 | Low | 67 | Low | 126 Ų | 126 | 103.8 Ų | 103.8 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | trans | -97.6 | 85.3 | -175.5 | -61.3 | 177.9 | 0 | 0 | 0 | 109.9 | G107 S111 | G107-L109 PolarHBondContact O-N 3.34Å; G107-L109 VanDerWaalsContact O-N 3.08Å; L109-S111 PolarHBondContact O-N 3.36Å | ||
| 110 | R | 61.6 | Low | 67.1 | Low | 221 Ų | 221 | 104.6 Ų | 104.6 | 83% | 0.834 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 6.3 | 175.1 | -55.3 | -174.2 | 111.9 | -171.7 | 5 | 114.9 | P108 | P108-R110 PolarHBondContact O-N 2.91Š|
| 111 | S | 67.9 | Low | 66.8 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 70% | 0.699 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -11.5 | -177.6 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | L109 | L109-S111 PolarHBondContact O-N 3.36Š|
| 112 | K | 69 | Low | 66.5 | Low | 161 Ų | 161 | 108.2 Ų | 108.2 | 70% | 0.7 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -92.5 | 120 | 174.3 | -71.3 | -167.8 | 176.4 | -177.4 | 0 | 110.2 | ||
| 113 | P | 67.5 | Low | 66.5 | Low | 120 Ų | 120 | 108.6 Ų | 108.6 | 78% | 0.779 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143.5 | 171.7 | 27 | -32.8 | 0 | 0 | 0 | 109.6 | L115 | P113-L115 PolarHBondContact O-N 3.49Š|
| 114 | D | 71.8 | Confident | 66.4 | Low | 49 Ų | 49 | 107 Ų | 107 | 26% | 0.262 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 120 | 178.1 | 167.7 | 15.7 | 0 | 0 | 0 | 110.5 | T116 N117 | D114-T116 PolarHBondContact O-N 2.9Å; D114-T116 WeakPolarHBondContact OD1-CB 3.46Å; D114-T116 PolarHBondContact OD1-N 3.36Å; D114-T116 PolarHBondContact OD1-OG1 3.37Å; D114-T116 PolarHBondContact OD2-OG1 2.98Å; D114-N117 WeakPolarHBondContact CB-ND2 3.48Å; D114-N117 WeakPolarHBondContact O-CB 3.28Å; D114-N117 PolarHBondContact O-N 3.15Å; D114-N117 PolarHBondContact OD2-ND2 3.22Å |
| 115 | L | 72.2 | Confident | 65.9 | Low | 121 Ų | 121 | 106.1 Ų | 106.1 | 63% | 0.634 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.9 | -28.4 | -175.6 | -174.4 | 64.8 | 0 | 0 | 0 | 112.3 | P113 N117 Y118 I119 | P113-L115 PolarHBondContact O-N 3.49Å; L115-N117 PolarHBondContact O-N 3.42Å; L115-Y118 WeakPolarHBondContact O-CB 3.48Å; L115-Y118 PolarHBondContact O-N 3.42Å; L115-I119 HydrophobicContact CD2-CD1 4.39Å; L115-I119 HydrophobicContact CG-CD1 4.05Å; L115-I119 HydrophobicContact CG-CG1 4.46Å; L115-I119 PolarHBondContact O-N 2.91Å; L115-I119 VanDerWaalsContact O-N 3.1Å |
| 116 | T | 72.5 | Confident | 65.6 | Low | 68 Ų | 68 | 104.3 Ų | 104.3 | 42% | 0.417 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -31.5 | 178.7 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | D114 Y118 I119 N120 | D114-T116 PolarHBondContact O-N 2.9Å; D114-T116 WeakPolarHBondContact OD1-CB 3.46Å; D114-T116 PolarHBondContact OD1-N 3.36Å; D114-T116 PolarHBondContact OD1-OG1 3.37Å; D114-T116 PolarHBondContact OD2-OG1 2.98Å; T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 PolarHBondContact O-N 2.96Å; T116-I119 PolarHBondContact O-N 3.43Å; T116-N120 VanDerWaalsContact O-CB 3.24Å; T116-N120 WeakPolarHBondContact O-CB 3.32Å; T116-N120 PolarHBondContact O-N 3.15Å; T116-N120 PolarHBondContact O-ND2 2.95Å |
| 117 | N | 72.6 | Confident | 65.2 | Low | 103 Ų | 103 | 105.4 Ų | 105.4 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.5 | -31.6 | 174.7 | -66.3 | -60.3 | 0 | 0 | 0 | 112.5 | D114 L115 R121 | D114-N117 WeakPolarHBondContact CB-ND2 3.48Å; D114-N117 WeakPolarHBondContact O-CB 3.28Å; D114-N117 PolarHBondContact O-N 3.15Å; D114-N117 PolarHBondContact OD2-ND2 3.22Å; L115-N117 PolarHBondContact O-N 3.42Å; N117-R121 VanDerWaalsContact O-CB 3.27Å; N117-R121 WeakPolarHBondContact O-CB 3.21Å; N117-R121 PolarHBondContact O-N 3.46Å |
| 118 | Y | 70.8 | Confident | 64.6 | Low | 153 Ų | 153 | 111.4 Ų | 111.4 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.1 | -43 | 174.8 | -169.2 | -102.2 | 0 | 0 | 0 | 111.5 | L115 T116 R121 I122 | L115-Y118 WeakPolarHBondContact O-CB 3.48Å; L115-Y118 PolarHBondContact O-N 3.42Å; T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 PolarHBondContact O-N 2.96Å; Y118-R121 PolarHBondContact O-N 3.24Å; Y118-I122 HydrophobicContact CD1-CD1 3.77Å; Y118-I122 HydrophobicContact CE1-CD1 3.51Å; Y118-I122 WeakPolarHBondContact O-CG1 3.49Å; Y118-I122 PolarHBondContact O-N 2.92Å |
| 119 | I | 78.6 | Confident | 63.7 | Low | 85 Ų | 85 | 113.8 Ų | 113.8 | 44% | 0.436 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.8 | -46.3 | 178.1 | -63.2 | 168.4 | 0 | 0 | 0 | 111.1 | L115 T116 R121 I122 V123 | L115-I119 HydrophobicContact CD2-CD1 4.39Å; L115-I119 HydrophobicContact CG-CD1 4.05Å; L115-I119 HydrophobicContact CG-CG1 4.46Å; L115-I119 PolarHBondContact O-N 2.91Å; L115-I119 VanDerWaalsContact O-N 3.1Å; T116-I119 PolarHBondContact O-N 3.43Å; I119-R121 VanDerWaalsContact C-N 3.29Å; I119-R121 PolarHBondContact O-N 3.28Å; I119-I122 WeakPolarHBondContact O-CB 3.25Å; I119-I122 PolarHBondContact O-N 3.22Å; I119-I122 VanDerWaalsContact O-N 3.09Å; I119-V123 PolarHBondContact O-N 3.15Å |
| 120 | N | 73.6 | Confident | 62.8 | Low | 99 Ų | 99 | 118.7 Ų | 118.7 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.7 | -29.5 | -179.5 | -68.8 | -23.9 | 0 | 0 | 0 | 112.3 | T116 G124 | T116-N120 VanDerWaalsContact O-CB 3.24Å; T116-N120 WeakPolarHBondContact O-CB 3.32Å; T116-N120 PolarHBondContact O-N 3.15Å; T116-N120 PolarHBondContact O-ND2 2.95Å; N120-G124 WeakPolarHBondContact O-CA 3.48Å; N120-G124 PolarHBondContact O-N 2.8Å |
| 121 | R | 65.6 | Low | 62 | Low | 163 Ų | 163 | 112 Ų | 112 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.8 | -34.5 | 171.7 | -172.6 | 171.8 | 178.4 | -96 | 1 | 111.9 | N117 Y118 I119 N125 | N117-R121 VanDerWaalsContact O-CB 3.27Å; N117-R121 WeakPolarHBondContact O-CB 3.21Å; N117-R121 PolarHBondContact O-N 3.46Å; Y118-R121 PolarHBondContact O-N 3.24Å; I119-R121 VanDerWaalsContact C-N 3.29Å; I119-R121 PolarHBondContact O-N 3.28Å; R121-N125 WeakPolarHBondContact O-CB 3.36Å; R121-N125 PolarHBondContact O-N 3.3Å; R121-N125 PolarHBondContact O-OD1 3.43Å |
| 122 | I | 62.1 | Low | 61 | Low | 102 Ų | 102 | 114.8 Ų | 114.8 | 52% | 0.523 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.2 | -41.5 | 175.3 | -66.4 | 165.3 | 0 | 0 | 0 | 110.7 | Y118 I119 | Y118-I122 HydrophobicContact CD1-CD1 3.77Å; Y118-I122 HydrophobicContact CE1-CD1 3.51Å; Y118-I122 WeakPolarHBondContact O-CG1 3.49Å; Y118-I122 PolarHBondContact O-N 2.92Å; I119-I122 WeakPolarHBondContact O-CB 3.25Å; I119-I122 PolarHBondContact O-N 3.22Å; I119-I122 VanDerWaalsContact O-N 3.09Å |
| 123 | V | 63.3 | Low | 59.8 | Low | 93 Ų | 93 | 110 Ų | 110 | 56% | 0.564 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.4 | -43.5 | 178.7 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | I119 S126 | I119-V123 PolarHBondContact O-N 3.15Å; V123-S126 PolarHBondContact O-N 3.39Å; V123-S126 PolarHBondContact O-OG 3.05Å |
| 124 | G | 57.6 | Low | 58.3 | Low | 24 Ų | 24 | 110.4 Ų | 110.4 | 25% | 0.247 | 60% | 0.599 | C | S | . | * | H | α-helix | trans | -72.5 | -29.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N120 S126 S127 F128 | N120-G124 WeakPolarHBondContact O-CA 3.48Å; N120-G124 PolarHBondContact O-N 2.8Å; G124-S126 PolarHBondContact O-N 3.09Å; G124-S127 PolarHBondContact O-N 3.02Å; G124-S127 PolarHBondContact O-OG 3.23Å; G124-F128 WeakPolarHBondContact O-CD2 3.49Å |
| 125 | N | 52.5 | Low | 56.9 | Low | 87 Ų | 87 | 115.6 Ų | 115.6 | 47% | 0.465 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -7.7 | 174.3 | -72.5 | -0.4 | 0 | 0 | 0 | 113.4 | R121 S127 | R121-N125 WeakPolarHBondContact O-CB 3.36Å; R121-N125 PolarHBondContact O-N 3.3Å; R121-N125 PolarHBondContact O-OD1 3.43Å; N125-S127 VanDerWaalsContact C-N 3.28Å |
| 126 | S | 50.8 | Low | 55.6 | Low | 100 Ų | 100 | 116.7 Ų | 116.7 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -10.9 | 173.6 | 75.3 | 0 | 0 | 0 | 0 | 113.2 | V123 G124 | V123-S126 PolarHBondContact O-N 3.39Å; V123-S126 PolarHBondContact O-OG 3.05Å; G124-S126 PolarHBondContact O-N 3.09Å |
| 127 | S | 54.9 | Low | 54.1 | Low | 72 Ų | 72 | 121.9 Ų | 121.9 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -115.9 | -3 | -178.6 | 63.8 | 0 | 0 | 0 | 0 | 115.5 | G124 N125 | G124-S127 PolarHBondContact O-N 3.02Å; G124-S127 PolarHBondContact O-OG 3.23Å; N125-S127 VanDerWaalsContact C-N 3.28Å |
| 128 | F | 46.8 | Very low | 52.4 | Low | 159 Ų | 159 | 121.9 Ų | 121.9 | 70% | 0.697 | 66% | 0.66 | S | S | * | * | trans | -118.7 | 48.7 | 179.1 | -58.7 | -67.1 | 0 | 0 | 0 | 114 | G124 | G124-F128 WeakPolarHBondContact O-CD2 3.49Š| ||
| 129 | H | 45.3 | Very low | 51.3 | Low | 183 Ų | 183 | 122 Ų | 122 | 85% | 0.847 | 67% | 0.671 | S | S | * | * | trans | -117.1 | 51.1 | 145.5 | -70.8 | -63.6 | 0 | 0 | 0 | 109.1 | A131 | H129-A131 PolarHBondContact O-N 3.25Å; H129-A131 VanDerWaalsContact O-N 3.15Å | ||
| 130 | R | 42.3 | Very low | 49.9 | Very low | 229 Ų | 229 | 126.5 Ų | 126.5 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | trans | -75.3 | 102.8 | 162.9 | -175.2 | 173.8 | -79.1 | -141.1 | -2.2 | 107.1 | V132 | R130-V132 PolarHBondContact O-N 3.42Š| ||
| 131 | A | 45 | Very low | 48.8 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | trans | -41.1 | 128.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H129 G133 | H129-A131 PolarHBondContact O-N 3.25Å; H129-A131 VanDerWaalsContact O-N 3.15Å; A131-G133 PolarHBondContact O-N 3.22Å | ||
| 132 | V | 46.2 | Very low | 48.1 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 96% | 0.958 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -70.4 | 105.2 | 157.1 | 174 | 0 | 0 | 0 | 0 | 106 | R130 | R130-V132 PolarHBondContact O-N 3.42Š|
| 133 | G | 42.8 | Very low | 48.1 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | 135.5 | 129.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A131 | A131-G133 PolarHBondContact O-N 3.22Š| ||
| 134 | C | 36.8 | Very low | 47.8 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | trans | 94.8 | 99.2 | 158.7 | -131.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 135 | L | 43.3 | Very low | 47.8 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | 36.5 | 123.5 | 132.7 | -113.7 | 74.2 | 0 | 0 | 0 | 120.5 | ||||
| 136 | D | 44.5 | Very low | 47.6 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 29.1 | 115.5 | 137.8 | -102 | -12.7 | 0 | 0 | 0 | 118.8 | ||||
| 137 | Q | 40.3 | Very low | 47.6 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | 171.4 | 135.1 | 113.5 | -97.4 | 168.4 | 24.7 | 0 | 0 | 114 | |||||
| 138 | S | 37.3 | Very low | 47.2 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 70.5 | 117.9 | 148.6 | 72.9 | 0 | 0 | 0 | 0 | 119.8 | F140 | S138-F140 PolarHBondContact O-N 3.29Š| ||
| 139 | N | 48.3 | Very low | 47.7 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -68.7 | 110 | 164.7 | -66.7 | -77.3 | 0 | 0 | 0 | 110.2 | ||||
| 140 | F | 49.1 | Very low | 48.4 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -157.4 | 140 | 149.5 | -73.4 | -66.9 | 0 | 0 | 0 | 110.2 | S138 V142 | S138-F140 PolarHBondContact O-N 3.29Å; F140-V142 PolarHBondContact O-N 2.94Å | ||
| 141 | P | 50.9 | Low | 49.4 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -75.9 | 112.4 | 174.5 | 29.7 | -29 | 0 | 0 | 0 | 109.5 | ||||
| 142 | V | 50.2 | Low | 50.3 | Low | 131 Ų | 131 | 141.3 Ų | 141.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 130.2 | 172.9 | 176.6 | 0 | 0 | 0 | 0 | 108.6 | F140 | F140-V142 PolarHBondContact O-N 2.94Š|
| 143 | P | 61.1 | Low | 51.2 | Low | 104 Ų | 104 | 136.6 Ų | 136.6 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 147.6 | 176.6 | 29.2 | -32.2 | 0 | 0 | 0 | 110.3 | ||
| 144 | P | 57.9 | Low | 52 | Low | 116 Ų | 116 | 140.4 Ų | 140.4 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 139.8 | 179.2 | 26.8 | -32.8 | 0 | 0 | 0 | 110.4 | ||
| 145 | P | 58.3 | Low | 52.8 | Low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 150.8 | 178 | 26.5 | -32.8 | 0 | 0 | 0 | 111.1 | W147 | P145-W147 PolarHBondContact O-N 2.62Š|
| 146 | P | 48.1 | Very low | 54.1 | Low | 109 Ų | 109 | 135.6 Ų | 135.6 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 136.2 | -179.1 | 26.3 | -32.5 | 0 | 0 | 0 | 110.2 | D148 | P146-D148 VanDerWaalsContact C-N 3.29Å; P146-D148 PolarHBondContact O-N 2.83Å |
| 147 | W | 49.5 | Very low | 54.9 | Low | 230 Ų | 230 | 131.4 Ų | 131.4 | 87% | 0.871 | 73% | 0.732 | S | S | * | * | trans | -68.2 | 86.6 | 176.4 | -67.1 | -47 | 0 | 0 | 0 | 110.5 | P145 N149 | P145-W147 PolarHBondContact O-N 2.62Å; W147-N149 PolarHBondContact O-N 2.89Å | ||
| 148 | D | 46.4 | Very low | 55.5 | Low | 150 Ų | 150 | 127.1 Ų | 127.1 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | trans | -71.7 | 109.6 | 162.2 | -77.8 | -24.9 | 0 | 0 | 0 | 108.4 | P146 E150 | P146-D148 VanDerWaalsContact C-N 3.29Å; P146-D148 PolarHBondContact O-N 2.83Å; D148-E150 VanDerWaalsContact C-N 3.3Å; D148-E150 PolarHBondContact O-N 3.28Å | ||
| 149 | N | 58 | Low | 56.4 | Low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | -78.1 | 73.7 | -175.9 | -59.9 | -56.8 | 0 | 0 | 0 | 110.8 | W147 | W147-N149 PolarHBondContact O-N 2.89Š| ||
| 150 | E | 60.6 | Low | 56.9 | Low | 135 Ų | 135 | 128.6 Ų | 128.6 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | trans | -129.3 | 77.8 | 158.5 | -86.6 | -161.3 | 151.9 | 0 | 0 | 109.4 | D148 K152 | D148-E150 VanDerWaalsContact C-N 3.3Å; D148-E150 PolarHBondContact O-N 3.28Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 2.87Å; E150-K152 IonicContact OE1-NZ 3.57Å; E150-K152 IonicContact OE2-NZ 2.76Å; E150-K152 PolarHBondContact OE2-NZ 2.83Å | ||
| 151 | R | 62.2 | Low | 57.3 | Low | 246 Ų | 246 | 125.8 Ų | 125.8 | 93% | 0.928 | 73% | 0.73 | S | S | * | * | trans | -74.2 | 83.1 | 169.5 | -66.6 | -176.4 | -176.5 | -131 | 1.4 | 109.3 | ||||
| 152 | K | 64.8 | Low | 57.6 | Low | 103 Ų | 103 | 125.7 Ų | 125.7 | 45% | 0.448 | 73% | 0.725 | S | S | . | * | trans | -74.6 | 128.5 | 165.4 | -79.1 | 154.8 | 178.9 | 154.3 | 0 | 109.1 | E150 C159 | E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 2.87Å; E150-K152 IonicContact OE1-NZ 3.57Å; E150-K152 IonicContact OE2-NZ 2.76Å; E150-K152 PolarHBondContact OE2-NZ 2.83Å; K152-C159 WeakPolarHBondContact CE-SG 3.4Å | ||
| 153 | C | 64 | Low | 58.1 | Low | 59 Ų | 59 | 125.4 Ų | 125.4 | 40% | 0.399 | 72% | 0.721 | S | S | . | * | trans | -65.2 | 124.3 | 180 | 180 | 0 | 0 | 0 | 0 | 110 | A155 C156 G157 | C153-A155 PolarHBondContact O-N 3.26Å; C153-A155 VanDerWaalsContact O-N 3.08Å; C153-C156 PolarHBondContact O-N 2.81Å; C153-G157 WeakPolarHBondContact O-CA 3.33Å; C153-G157 PolarHBondContact O-N 2.91Å | ||
| 154 | P | 59.8 | Low | 57.9 | Low | 142 Ų | 142 | 126.8 Ų | 126.8 | 92% | 0.922 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -7.2 | -177.2 | 27.4 | -34 | 0 | 0 | 0 | 113.8 | ||
| 155 | A | 55.3 | Low | 57.9 | Low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -23.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C153 | C153-A155 PolarHBondContact O-N 3.26Å; C153-A155 VanDerWaalsContact O-N 3.08Å |
| 156 | C | 68.8 | Low | 57.8 | Low | 89 Ų | 89 | 128.9 Ų | 128.9 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | -1.9 | -175.8 | 58.3 | 0 | 0 | 0 | 0 | 115.4 | C153 S158 | C153-C156 PolarHBondContact O-N 2.81Å; C156-S158 VanDerWaalsContact C-N 3.25Å; C156-S158 PolarHBondContact O-N 3.01Å; C156-S158 PolarHBondContact O-OG 2.73Å |
| 157 | G | 61.3 | Low | 58.6 | Low | 57 Ų | 57 | 130.4 Ų | 130.4 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | trans | 50.1 | 33.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117 | C153 | C153-G157 WeakPolarHBondContact O-CA 3.33Å; C153-G157 PolarHBondContact O-N 2.91Å | ||
| 158 | S | 54 | Low | 59.3 | Low | 87 Ų | 87 | 122.1 Ų | 122.1 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | trans | -131.3 | 141.2 | -179 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | C156 | C156-S158 VanDerWaalsContact C-N 3.25Å; C156-S158 PolarHBondContact O-N 3.01Å; C156-S158 PolarHBondContact O-OG 2.73Å | ||
| 159 | C | 57 | Low | 60.5 | Low | 159 Ų | 159 | 119.5 Ų | 119.5 | 100% | 1.074 | 70% | 0.704 | S | S | * | * | trans | -72.1 | 0 | 169.8 | -62.4 | 0 | 0 | 0 | 0 | 111 | K152 | K152-C159 WeakPolarHBondContact CE-SG 3.4Š|
Retrieved 159 of 159 residues in 140.1 ms
(Link to these results)