| 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 | 41.7 | Very low | 51.2 | Low | 245 Ų | 245 | 134.1 Ų | 134.1 | 100% | 1.207 | 78% | 0.781 | S | S | * | * | 0 | 103.8 | 0 | -66.7 | 152.5 | 95.3 | 0 | 0 | 106.1 | |||||
| 2 | S | 46 | Very low | 50.9 | Low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -89.5 | 115.9 | -172.8 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | V4 | S2-V4 PolarHBondContact O-N 3.21Š| ||
| 3 | S | 52 | Low | 50.9 | Low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -73.9 | 111.1 | 177.1 | -86.5 | 0 | 0 | 0 | 0 | 110.2 | A5 | S3-A5 PolarHBondContact O-N 2.8Š| ||
| 4 | V | 48.6 | Very low | 50.8 | Low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -74.3 | 110.7 | 162.8 | 166.9 | 0 | 0 | 0 | 0 | 107.3 | S2 V6 | S2-V4 PolarHBondContact O-N 3.21Å; V4-V6 HydrophobicContact CG1-CG2 4.4Å; V4-V6 PolarHBondContact O-N 2.9Å | ||
| 5 | A | 60.8 | Low | 50.6 | Low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -74.9 | 107.4 | 168 | 0 | 0 | 0 | 0 | 0 | 108.3 | S3 L7 | S3-A5 PolarHBondContact O-N 2.8Å; A5-L7 PolarHBondContact O-N 3Å | ||
| 6 | V | 55.1 | Low | 50.5 | Low | 114 Ų | 114 | 143.3 Ų | 143.3 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -71.9 | 108.2 | 168.9 | 176.2 | 0 | 0 | 0 | 0 | 106.8 | V4 T8 | V4-V6 HydrophobicContact CG1-CG2 4.4Å; V4-V6 PolarHBondContact O-N 2.9Å; V6-T8 HydrophobicContact CG1-CG2 4.47Å; V6-T8 PolarHBondContact O-N 3.44Å | ||
| 7 | L | 54.1 | Low | 50.4 | Low | 140 Ų | 140 | 141.6 Ų | 141.6 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -70.7 | 98.3 | 174 | -153 | 82.8 | 0 | 0 | 0 | 107.7 | A5 F12 | A5-L7 PolarHBondContact O-N 3Å; L7-F12 HydrophobicContact CD2-CE2 4.39Å | ||
| 8 | T | 58.5 | Low | 50.2 | Low | 87 Ų | 87 | 137.5 Ų | 137.5 | 53% | 0.534 | 77% | 0.772 | S | S | . | * | trans | -69.7 | 142.9 | 175.9 | 51.4 | 0 | 0 | 0 | 0 | 109.7 | V6 E10 S11 | V6-T8 HydrophobicContact CG1-CG2 4.47Å; V6-T8 PolarHBondContact O-N 3.44Å; T8-E10 PolarHBondContact O-N 2.66Å; T8-S11 PolarHBondContact O-N 2.92Å | ||
| 9 | Q | 49.4 | Very low | 49.8 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -63.1 | -5.8 | -173.9 | -172.2 | 147.7 | -2.7 | 0 | 0 | 114.4 | ||
| 10 | E | 47.9 | Very low | 49.4 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -79.2 | -13.3 | -178.4 | -66.4 | -170.2 | 95.8 | 0 | 0 | 113.9 | T8 F12 A13 | T8-E10 PolarHBondContact O-N 2.66Å; E10-F12 VanDerWaalsContact C-N 3.25Å; E10-F12 PolarHBondContact O-N 2.89Å; E10-A13 PolarHBondContact O-N 3.18Å |
| 11 | S | 49.1 | Very low | 48.9 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -72.2 | -11.8 | -179.5 | -173 | 0 | 0 | 0 | 0 | 114.8 | T8 | T8-S11 PolarHBondContact O-N 2.92Š|
| 12 | F | 47.9 | Very low | 48.7 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -94.7 | -5.1 | -178.8 | -68.3 | -83.5 | 0 | 0 | 0 | 113.8 | L7 E10 | L7-F12 HydrophobicContact CD2-CE2 4.39Å; E10-F12 VanDerWaalsContact C-N 3.25Å; E10-F12 PolarHBondContact O-N 2.89Å |
| 13 | A | 50.1 | Low | 48.7 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 57% | 0.57 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -82.9 | -20.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E10 H15 R16 | E10-A13 PolarHBondContact O-N 3.18Å; A13-H15 VanDerWaalsContact C-N 3.3Å; A13-H15 PolarHBondContact O-N 2.73Å; A13-R16 PolarHBondContact O-N 3.11Å |
| 14 | E | 50.3 | Low | 48 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -16.4 | -171 | -135.2 | 150.4 | 111 | 0 | 0 | 114 | ||
| 15 | H | 47.3 | Very low | 47.5 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 4.7 | 176.1 | -69.5 | -72.9 | 0 | 0 | 0 | 114.6 | A13 | A13-H15 VanDerWaalsContact C-N 3.3Å; A13-H15 PolarHBondContact O-N 2.73Å |
| 16 | R | 48.9 | Very low | 46.4 | Very low | 227 Ų | 227 | 143.3 Ų | 143.3 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -102.7 | 4.6 | -179.3 | -152.9 | 176.3 | -177.1 | -102.2 | 0.4 | 114.1 | A13 G18 | A13-R16 PolarHBondContact O-N 3.11Å; R16-G18 PolarHBondContact O-N 2.93Å | ||
| 17 | S | 48.9 | Very low | 45.5 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -95.6 | 79.9 | -179.3 | -158.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 18 | G | 47.5 | Very low | 45 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -151.1 | 3.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R16 | R16-G18 PolarHBondContact O-N 2.93Š| ||
| 19 | L | 41.6 | Very low | 43.8 | Very low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -128.5 | 79.5 | 175.2 | -77.2 | 168.2 | 0 | 0 | 0 | 109.9 | ||||
| 20 | V | 41.9 | Very low | 43.4 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 66% | 0.655 | 78% | 0.778 | S | S | * | * | trans | -82.3 | 123.4 | 157.6 | -175.5 | 0 | 0 | 0 | 0 | 106.6 | Q22 | V20-Q22 HydrophobicContact CG1-CG 4Å; V20-Q22 PolarHBondContact O-N 3.27Å | ||
| 21 | P | 40.1 | Very low | 43.3 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -73.3 | 84.5 | 167.1 | -7.5 | 24.1 | 0 | 0 | 0 | 108.1 | ||||
| 22 | Q | 36.8 | Very low | 42.8 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -81.5 | 116.7 | 163.4 | -84.6 | -172.7 | 20.6 | 0 | 0 | 108.6 | V20 I24 | V20-Q22 HydrophobicContact CG1-CG 4Å; V20-Q22 PolarHBondContact O-N 3.27Å; Q22-I24 HydrophobicContact CB-CG1 4.38Å; Q22-I24 WeakPolarHBondContact O-CG1 3.42Å; Q22-I24 PolarHBondContact O-N 3.06Å | ||
| 23 | Q | 45.1 | Very low | 43 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -57.1 | 101.3 | 168.5 | -171.2 | 180 | 6.5 | 0 | 0 | 109 | ||||
| 24 | I | 39 | Very low | 43.3 | Very low | 145 Ų | 145 | 154.2 Ų | 154.2 | 74% | 0.744 | 82% | 0.821 | S | S | * | * | trans | -105.8 | 118.1 | -178.7 | -66.1 | 162.2 | 0 | 0 | 0 | 110.5 | Q22 | Q22-I24 HydrophobicContact CB-CG1 4.38Å; Q22-I24 WeakPolarHBondContact O-CG1 3.42Å; Q22-I24 PolarHBondContact O-N 3.06Å | ||
| 25 | K | 37.2 | Very low | 43.5 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -62.1 | 133.8 | 168.2 | -172.2 | 178.6 | -178.1 | -177.5 | 0 | 109.8 | A27 | K25-A27 PolarHBondContact O-N 3.29Š| ||
| 26 | V | 37.8 | Very low | 44.3 | Very low | 140 Ų | 140 | 151.5 Ų | 151.5 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -50.1 | 125.7 | 179.5 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 27 | A | 35.8 | Very low | 45.4 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -152.7 | 114.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | K25 | K25-A27 PolarHBondContact O-N 3.29Š| ||
| 28 | T | 43.8 | Very low | 46.8 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -53 | 129.2 | 170.5 | -53.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 29 | L | 33.9 | Very low | 48.5 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -162.5 | 151.1 | 142 | -76.2 | -166.2 | 0 | 0 | 0 | 109.9 | ||||
| 30 | N | 39.6 | Very low | 50.4 | Low | 153 Ų | 153 | 145.6 Ų | 145.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -73 | 163.9 | -162.9 | -60.7 | -65.2 | 0 | 0 | 0 | 116.6 | ||||
| 31 | S | 46.2 | Very low | 52.3 | Low | 119 Ų | 119 | 147.6 Ų | 147.6 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 102 | 82.6 | 154.9 | -153.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 32 | E | 38.5 | Very low | 54.2 | Low | 195 Ų | 195 | 147.4 Ų | 147.4 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -139.7 | 84.7 | 173 | -56.8 | -176.8 | 165.9 | 0 | 0 | 109.9 | ||||
| 33 | E | 53.1 | Low | 56.5 | Low | 196 Ų | 196 | 142.8 Ų | 142.8 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -136.4 | 53.6 | 165.2 | -160 | -175.9 | 152.6 | 0 | 0 | 109 | ||||
| 34 | E | 55.8 | Low | 58.4 | Low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -163 | 45.4 | 172.6 | -148.3 | -167.2 | 121.3 | 0 | 0 | 114.7 | ||
| 35 | N | 54.7 | Low | 60.6 | Low | 154 Ų | 154 | 137.1 Ų | 137.1 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -156.3 | 16.7 | 162.3 | -142.3 | -107.3 | 0 | 0 | 0 | 117.3 | ||||
| 36 | D | 63.8 | Low | 62.7 | Low | 154 Ų | 154 | 133.3 Ų | 133.3 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -83 | 126.8 | 169.6 | -79.1 | -37.6 | 0 | 0 | 0 | 109.5 | ||
| 37 | P | 71.9 | Confident | 64.7 | Low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 133.6 | 170.1 | 24.4 | -31.6 | 0 | 0 | 0 | 107.5 | T39 | P37-T39 PolarHBondContact O-N 3.16Å; P37-T39 VanDerWaalsContact O-N 3.11Å |
| 38 | P | 77.9 | Confident | 66.7 | Low | 105 Ų | 105 | 135.3 Ų | 135.3 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 125.9 | -174.7 | 19.4 | -31.2 | 0 | 0 | 0 | 109.3 | Y40 | P38-Y40 PolarHBondContact O-N 3.2Š|
| 39 | T | 83.6 | Confident | 67.7 | Low | 86 Ų | 86 | 138.5 Ų | 138.5 | 53% | 0.528 | 74% | 0.74 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 138.3 | 179.5 | -66.5 | 0 | 0 | 0 | 0 | 107.5 | P37 K41 D42 A43 | P37-T39 PolarHBondContact O-N 3.16Å; P37-T39 VanDerWaalsContact O-N 3.11Å; T39-K41 HydrophobicContact CG2-CB 4.2Å; T39-K41 HydrophobicContact CG2-CG 4.22Å; T39-K41 PolarHBondContact O-N 3.49Å; T39-D42 PolarHBondContact O-N 2.98Å; T39-A43 PolarHBondContact O-N 3.46Å |
| 40 | Y | 82.6 | Confident | 68.7 | Low | 161 Ų | 161 | 140.6 Ų | 140.6 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -49.8 | -30 | -177.3 | -177.3 | -92.1 | 0 | 0 | 0 | 113.2 | P38 F44 | P38-Y40 PolarHBondContact O-N 3.2Å; Y40-F44 HydrophobicContact CD2-CD2 4.16Å; Y40-F44 HydrophobicContact CE1-CB 4.42Å; Y40-F44 AromaticContact CE2-CD2 3.86Å; Y40-F44 HydrophobicContact CE2-CD2 3.86Å; Y40-F44 HydrophobicContact CE2-CE2 4.29Å; Y40-F44 PolarHBondContact O-N 3.21Å |
| 41 | K | 82.1 | Confident | 68.9 | Low | 151 Ų | 151 | 137.1 Ų | 137.1 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -67.1 | -33.3 | 176.9 | -59.4 | -61.5 | 178.8 | 178.3 | 0 | 113.9 | T39 F44 | T39-K41 HydrophobicContact CG2-CB 4.2Å; T39-K41 HydrophobicContact CG2-CG 4.22Å; T39-K41 PolarHBondContact O-N 3.49Å; K41-F44 CarbonylContact O-C 3.57Å |
| 42 | D | 79.9 | Confident | 68.9 | Low | 124 Ų | 124 | 136 Ų | 136 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -80.6 | -35.7 | 177.7 | -58.4 | -43.5 | 0 | 0 | 0 | 111.1 | T39 F44 | T39-D42 PolarHBondContact O-N 2.98Å; D42-F44 VanDerWaalsContact C-N 3.35Å |
| 43 | A | 84 | Confident | 68.7 | Low | 52 Ų | 52 | 132.8 Ų | 132.8 | 43% | 0.43 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -71.5 | -29.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T39 | T39-A43 PolarHBondContact O-N 3.46Å |
| 44 | F | 85.6 | Confident | 68.1 | Low | 132 Ų | 132 | 130.9 Ų | 130.9 | 58% | 0.579 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -136.8 | 79 | -179.2 | -64.3 | -84.4 | 0 | 0 | 0 | 110.3 | Y40 K41 D42 | Y40-F44 HydrophobicContact CD2-CD2 4.16Å; Y40-F44 HydrophobicContact CE1-CB 4.42Å; Y40-F44 AromaticContact CE2-CD2 3.86Å; Y40-F44 HydrophobicContact CE2-CD2 3.86Å; Y40-F44 HydrophobicContact CE2-CE2 4.29Å; Y40-F44 PolarHBondContact O-N 3.21Å; K41-F44 CarbonylContact O-C 3.57Å; D42-F44 VanDerWaalsContact C-N 3.35Å |
| 45 | P | 85.8 | Confident | 67.3 | Low | 92 Ų | 92 | 129.8 Ų | 129.8 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 148.5 | 173.9 | 24.5 | -33.3 | 0 | 0 | 0 | 110.3 | L47 | P45-L47 PolarHBondContact O-N 3.27Š|
| 46 | P | 80 | Confident | 66.7 | Low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 129.6 | 179.3 | 21.2 | -29.3 | 0 | 0 | 0 | 110 | ||
| 47 | L | 80.1 | Confident | 65.4 | Low | 156 Ų | 156 | 125.3 Ų | 125.3 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 138.3 | 173.4 | -65.9 | 176.7 | 0 | 0 | 0 | 108.3 | P45 E49 | P45-L47 PolarHBondContact O-N 3.27Å; L47-E49 PolarHBondContact O-N 2.82Å |
| 48 | P | 78.6 | Confident | 64.4 | Low | 121 Ų | 121 | 129.9 Ų | 129.9 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 122.5 | 176.3 | 20.2 | -30.2 | 0 | 0 | 0 | 108.4 | K50 | P48-K50 PolarHBondContact O-N 2.93Å; P48-K50 VanDerWaalsContact O-N 3.11Å |
| 49 | E | 63.9 | Low | 63 | Low | 189 Ų | 189 | 132.7 Ų | 132.7 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 123.2 | 175.3 | -78.4 | -177 | 140.7 | 0 | 0 | 107.1 | L47 A51 | L47-E49 PolarHBondContact O-N 2.82Å; E49-A51 PolarHBondContact O-N 2.79Å |
| 50 | K | 55.2 | Low | 61.2 | Low | 206 Ų | 206 | 133.6 Ų | 133.6 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | trans | -60 | 95.3 | 171.5 | -179 | -176.3 | 177.4 | -179.2 | 0 | 106.3 | P48 A52 | P48-K50 PolarHBondContact O-N 2.93Å; P48-K50 VanDerWaalsContact O-N 3.11Å; K50-A52 PolarHBondContact O-N 2.95Å | ||
| 51 | A | 43.9 | Very low | 59.5 | Low | 79 Ų | 79 | 128.2 Ų | 128.2 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | trans | -47.9 | 127.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | E49 C53 | E49-A51 PolarHBondContact O-N 2.79Å; A51-C53 PolarHBondContact O-N 3Å | ||
| 52 | A | 45 | Very low | 58.1 | Low | 95 Ų | 95 | 123.6 Ų | 123.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -50.7 | 109.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | K50 L54 | K50-A52 PolarHBondContact O-N 2.95Å; A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 3.38Å | ||
| 53 | C | 35.4 | Very low | 56.9 | Low | 129 Ų | 129 | 120.8 Ų | 120.8 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | trans | -69.5 | 94.1 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | A51 | A51-C53 PolarHBondContact O-N 3Š| ||
| 54 | L | 39.2 | Very low | 55.6 | Low | 155 Ų | 155 | 128.8 Ų | 128.8 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | -112.3 | 117.2 | 154.7 | -77.2 | 174.1 | 0 | 0 | 0 | 107.2 | A52 | A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 3.38Å | ||
| 55 | E | 39.1 | Very low | 54.2 | Low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 40.4 | 118.5 | 155.3 | -131.5 | 82 | -176.3 | 0 | 0 | 120.5 | ||
| 56 | S | 42.1 | Very low | 52.9 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 64.2 | 91.4 | 143.3 | 65 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 57 | A | 38.3 | Very low | 52.1 | Low | 100 Ų | 100 | 130.7 Ų | 130.7 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -161.9 | 124.3 | 130.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | E59 | A57-E59 PolarHBondContact O-N 3.01Š| ||
| 58 | Q | 50.6 | Low | 51.4 | Low | 199 Ų | 199 | 128.5 Ų | 128.5 | 93% | 0.93 | 73% | 0.731 | S | S | * | * | trans | -63.1 | 108 | 176.2 | 179.8 | -176.8 | -72.9 | 0 | 0 | 110.2 | ||||
| 59 | E | 47.2 | Very low | 51.2 | Low | 164 Ų | 164 | 133.4 Ų | 133.4 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | trans | -118.8 | 135.2 | 164.4 | -112.1 | -73.7 | 118 | 0 | 0 | 107.2 | A57 A61 | A57-E59 PolarHBondContact O-N 3.01Å; E59-A61 PolarHBondContact O-N 3.27Å | ||
| 60 | P | 46.4 | Very low | 51.4 | Low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | trans | -70 | 97 | -172 | 29.6 | -29.8 | 0 | 0 | 0 | 108.3 | G62 | P60-G62 PolarHBondContact O-N 3.34Š| ||
| 61 | A | 46.6 | Very low | 52.3 | Low | 48 Ų | 48 | 127.5 Ų | 127.5 | 40% | 0.397 | 72% | 0.723 | S | S | . | * | trans | -39.8 | 115.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | E59 A63 | E59-A61 PolarHBondContact O-N 3.27Å; A61-A63 PolarHBondContact O-N 2.9Å | ||
| 62 | G | 53.2 | Low | 53.6 | Low | 54 Ų | 54 | 132.8 Ų | 132.8 | 56% | 0.557 | 73% | 0.732 | S | S | * | * | trans | -43.5 | 141.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P60 W64 S65 | P60-G62 PolarHBondContact O-N 3.34Å; G62-W64 PolarHBondContact O-N 3.23Å; G62-S65 PolarHBondContact O-N 3.05Å | ||
| 63 | A | 55.5 | Low | 54.9 | Low | 65 Ų | 65 | 131.8 Ų | 131.8 | 54% | 0.537 | 72% | 0.723 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.8 | -0.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | A61 K67 | A61-A63 PolarHBondContact O-N 2.9Å; A63-K67 WeakPolarHBondContact O-CE 3.14Å |
| 64 | W | 56 | Low | 57.1 | Low | 219 Ų | 219 | 130.5 Ų | 130.5 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -19.2 | 176.1 | -59.3 | -19.7 | 0 | 0 | 0 | 114.4 | G62 I68 | G62-W64 PolarHBondContact O-N 3.23Å; W64-I68 HydrophobicContact CB-CD1 4.4Å; W64-I68 WeakPolarHBondContact O-CD1 3.16Å; W64-I68 WeakPolarHBondContact O-CG1 3.33Å |
| 65 | S | 56.5 | Low | 59.7 | Low | 83 Ų | 83 | 127 Ų | 127 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -28.9 | -175.8 | -176.2 | 0 | 0 | 0 | 0 | 114.1 | G62 | G62-S65 PolarHBondContact O-N 3.05Š|
| 66 | N | 58.7 | Low | 62.3 | Low | 132 Ų | 132 | 121.3 Ų | 121.3 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -2.8 | -167.6 | -67.6 | -22.3 | 0 | 0 | 0 | 114.8 | ||
| 67 | K | 62.8 | Low | 64.8 | Low | 169 Ų | 169 | 119.7 Ų | 119.7 | 74% | 0.735 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -13.4 | -176 | -50.1 | -173.7 | -167.5 | -176.9 | 0 | 113.5 | A63 | A63-K67 WeakPolarHBondContact O-CE 3.14Š|
| 68 | I | 65.6 | Low | 67.5 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 56% | 0.564 | 63% | 0.633 | S | S | * | * | trans | -100.5 | 99.5 | -175.9 | -45.7 | 171.5 | 0 | 0 | 0 | 106.6 | W64 | W64-I68 HydrophobicContact CB-CD1 4.4Å; W64-I68 WeakPolarHBondContact O-CD1 3.16Å; W64-I68 WeakPolarHBondContact O-CG1 3.33Å | ||
| 69 | R | 73.7 | Confident | 69.6 | Low | 223 Ų | 223 | 111.6 Ų | 111.6 | 84% | 0.842 | 61% | 0.61 | S | S | * | * | trans | -57.4 | 128.7 | 170.3 | -149.6 | -168.2 | -53.1 | -127.6 | 4.2 | 107 | I71 | R69-I71 PolarHBondContact O-N 2.82Š| ||
| 70 | P | 68.7 | Low | 71.8 | Confident | 119 Ų | 119 | 107.2 Ų | 107.2 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | trans | -53.5 | 112.4 | 178.2 | -26.9 | 33.9 | 0 | 0 | 0 | 110.1 | K72 | P70-K72 PolarHBondContact O-N 3.38Š| ||
| 71 | I | 73.4 | Confident | 74 | Confident | 153 Ų | 153 | 109 Ų | 109 | 79% | 0.785 | 59% | 0.588 | S | S | * | * | trans | -78 | 110.4 | 175.2 | -57.2 | 177.5 | 0 | 0 | 0 | 105.5 | R69 A73 | R69-I71 PolarHBondContact O-N 2.82Å; I71-A73 PolarHBondContact O-N 3.01Å | ||
| 72 | K | 70.8 | Confident | 76 | Confident | 190 Ų | 190 | 108.5 Ų | 108.5 | 83% | 0.826 | 58% | 0.579 | S | S | * | * | trans | -61.7 | 127.7 | 173.6 | -60.1 | -176.3 | -175.3 | 177.1 | 0 | 107.4 | P70 S74 | P70-K72 PolarHBondContact O-N 3.38Å; K72-S74 PolarHBondContact O-N 3.26Å | ||
| 73 | A | 73 | Confident | 77.8 | Confident | 73 Ų | 73 | 108.3 Ų | 108.3 | 60% | 0.603 | 57% | 0.568 | S | S | * | * | trans | -54.8 | 125.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | I71 V75 | I71-A73 PolarHBondContact O-N 3.01Å; A73-V75 WeakPolarHBondContact CB-O 3.43Å; A73-V75 PolarHBondContact O-N 2.98Å; A73-V75 VanDerWaalsContact O-N 3.16Å | ||
| 74 | S | 82.3 | Confident | 79.1 | Confident | 102 Ų | 102 | 107 Ų | 107 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -65.2 | -14.1 | 177.9 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | K72 K132 | K72-S74 PolarHBondContact O-N 3.26Å; S74-K132 WeakPolarHBondContact O-CA 3.36Å |
| 75 | V | 92.1 | Very high | 80.2 | Confident | 81 Ų | 81 | 103.3 Ų | 103.3 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -127 | 127.3 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | A73 G131 | A73-V75 WeakPolarHBondContact CB-O 3.43Å; A73-V75 PolarHBondContact O-N 2.98Å; A73-V75 VanDerWaalsContact O-N 3.16Å; V75-G131 CarbonylContact C-O 3.55Å; V75-G131 WeakPolarHBondContact CA-O 3.47Å |
| 76 | I | 93.9 | Very high | 81.3 | Confident | 44 Ų | 44 | 105.8 Ų | 105.8 | 23% | 0.226 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147.2 | 173 | 65.1 | 168.2 | 0 | 0 | 0 | 109 | S130 G131 L133 V136 | I76-S130 CarbonylContact O-C 3.53Å; I76-S130 VanDerWaalsContact O-CA 3.31Å; I76-S130 WeakPolarHBondContact O-CA 3.35Å; I76-G131 PolarHBondContact N-O 3.25Å; I76-G131 PolarHBondContact O-N 2.79Å; I76-L133 HydrophobicContact CD1-CD1 3.66Å; I76-V136 HydrophobicContact CD1-CB 3.91Å; I76-V136 HydrophobicContact CD1-CG1 3.87Å; I76-V136 HydrophobicContact CD1-CG2 4.26Å; I76-V136 HydrophobicContact CG1-CB 3.98Å; I76-V136 HydrophobicContact CG1-CG1 4.17Å; I76-V136 HydrophobicContact CG1-CG2 3.75Å |
| 77 | T | 95.9 | Very high | 82 | Confident | 81 Ų | 81 | 100.6 Ų | 100.6 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.7 | 173.8 | -53.1 | 0 | 0 | 0 | 0 | 108.6 | M128 V129 S130 | T77-M128 HydrophobicContact CG2-CG 3.59Å; T77-M128 HydrophobicContact CG2-SD 3.7Å; T77-V129 CarbonylContact C-O 3.59Å; T77-V129 WeakPolarHBondContact CA-O 3.34Å; T77-S130 PolarHBondContact OG1-OG 3.25Å |
| 78 | Q | 94.8 | Very high | 82.3 | Confident | 56 Ų | 56 | 101.8 Ų | 101.8 | 26% | 0.262 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.8 | 177.2 | -66.7 | -174.1 | -6.6 | 0 | 0 | 108.9 | F80 M128 V129 V136 | Q78-F80 HydrophobicContact CB-CE2 3.87Å; Q78-F80 HydrophobicContact CB-CZ 4Å; Q78-M128 CarbonylContact O-C 3.55Å; Q78-M128 WeakPolarHBondContact O-CA 3.3Å; Q78-V129 PolarHBondContact N-O 2.85Å; Q78-V129 PolarHBondContact O-N 3.44Å; Q78-V136 HydrophobicContact CB-CG1 4.43Å; Q78-V136 HydrophobicContact CG-CG1 4.1Å |
| 79 | V | 95 | Very high | 82.3 | Confident | 73 Ų | 73 | 104 Ų | 104 | 44% | 0.442 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.5 | 179 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | S126 I127 M128 | V79-S126 VanDerWaalsContact CG1-OG 3.24Å; V79-S126 WeakPolarHBondContact CG1-OG 3.46Å; V79-I127 CarbonylContact C-O 3.41Å; V79-I127 WeakPolarHBondContact CA-O 3.31Å; V79-M128 HydrophobicContact CG2-CB 4.33Å; V79-M128 HydrophobicContact CG2-CG 4.17Å |
| 80 | F | 92.6 | Very high | 81.8 | Confident | 72 Ų | 72 | 99.5 Ų | 99.5 | 32% | 0.316 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.7 | 177.5 | -57.1 | -82.7 | 0 | 0 | 0 | 109.5 | Q78 S126 I127 V129 R140 | Q78-F80 HydrophobicContact CB-CE2 3.87Å; Q78-F80 HydrophobicContact CB-CZ 4Å; F80-S126 CarbonylContact O-C 3.6Å; F80-S126 WeakPolarHBondContact O-CA 3.5Å; F80-I127 HydrophobicContact CB-CB 4.37Å; F80-I127 PolarHBondContact N-O 3.08Å; F80-I127 PolarHBondContact O-N 2.84Å; F80-V129 HydrophobicContact CD2-CG2 4.2Å; F80-V129 HydrophobicContact CE2-CG2 4.01Å; F80-R140 HydrophobicContact CE1-CG 4.21Å; F80-R140 HydrophobicContact CE2-CG 4.28Å; F80-R140 HydrophobicContact CZ-CG 3.65Å |
| 81 | H | 92.3 | Very high | 81.5 | Confident | 143 Ų | 143 | 100.7 Ų | 100.7 | 66% | 0.662 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.3 | 175.7 | -64.6 | 84.6 | 0 | 0 | 0 | 108.6 | L125 | H81-L125 CarbonylContact C-O 3.6Å; H81-L125 WeakPolarHBondContact CA-O 3.47Å |
| 82 | V | 89.6 | Confident | 81.1 | Confident | 36 Ų | 36 | 98.5 Ų | 98.5 | 22% | 0.218 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 104.2 | 178.5 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | E86 R87 L125 I127 | V82-E86 HydrophobicContact CG1-CB 4.34Å; V82-R87 HydrophobicContact CG1-CG 4.02Å; V82-R87 PolarHBondContact O-NH2 3.47Å; V82-L125 HydrophobicContact CB-CB 4.29Å; V82-L125 PolarHBondContact N-O 2.79Å; V82-L125 PolarHBondContact O-N 3.27Å; V82-I127 HydrophobicContact CG2-CD1 4.11Å |
| 83 | P | 90.1 | Very high | 80.8 | Confident | 50 Ų | 50 | 93.8 Ų | 93.8 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | trans | -56.8 | 157 | 173.2 | -22.5 | 32.8 | 0 | 0 | 0 | 112 | E85 E86 | P83-E85 WeakPolarHBondContact CB-OE2 3.23Å; P83-E85 PolarHBondContact O-N 2.82Å; P83-E86 HydrophobicContact CB-CG 4.35Å; P83-E86 HydrophobicContact CG-CG 4.27Å; P83-E86 PolarHBondContact O-N 2.76Å | ||
| 84 | L | 82.9 | Confident | 80.6 | Confident | 38 Ų | 38 | 96.5 Ų | 96.5 | 20% | 0.199 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -58.9 | -38.3 | 178.2 | 177.1 | 67.1 | 0 | 0 | 0 | 111.5 | E86 R87 Q123 | L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 3.22Å; L84-R87 WeakPolarHBondContact O-CB 3.44Å; L84-R87 PolarHBondContact O-N 3.43Å; L84-Q123 HydrophobicContact CB-CB 4.44Å; L84-Q123 HydrophobicContact CD1-CB 4.27Å; L84-Q123 HydrophobicContact CD2-CB 4.26Å |
| 85 | E | 79.1 | Confident | 80.1 | Confident | 141 Ų | 141 | 93.8 Ų | 93.8 | 66% | 0.659 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -64.4 | -32.7 | -175.9 | -65.3 | 67.4 | -146.4 | 0 | 0 | 112.2 | P83 R87 | P83-E85 WeakPolarHBondContact CB-OE2 3.23Å; P83-E85 PolarHBondContact O-N 2.82Å; E85-R87 VanDerWaalsContact C-N 3.28Å; E85-R87 PolarHBondContact O-N 3.34Å |
| 86 | E | 80.1 | Confident | 79.2 | Confident | 135 Ų | 135 | 91.2 Ų | 91.2 | 63% | 0.631 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -81.7 | -8.3 | -178 | -63.2 | -175.8 | -169.6 | 0 | 0 | 112.7 | V82 P83 L84 K88 | V82-E86 HydrophobicContact CG1-CB 4.34Å; P83-E86 HydrophobicContact CB-CG 4.35Å; P83-E86 HydrophobicContact CG-CG 4.27Å; P83-E86 PolarHBondContact O-N 2.76Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 3.22Å; E86-K88 PolarHBondContact O-N 2.66Å |
| 87 | R | 74.1 | Confident | 78.6 | Confident | 24 Ų | 24 | 94.4 Ų | 94.4 | 9% | 0.091 | 46% | 0.462 | C | S | . | . | trans | -76.3 | 119.9 | -179.2 | -63.2 | -163.9 | -170.4 | 116.6 | 30.5 | 111.6 | V82 L84 E85 Y89 Q123 G124 | V82-R87 HydrophobicContact CG1-CG 4.02Å; V82-R87 PolarHBondContact O-NH2 3.47Å; L84-R87 WeakPolarHBondContact O-CB 3.44Å; L84-R87 PolarHBondContact O-N 3.43Å; E85-R87 VanDerWaalsContact C-N 3.28Å; E85-R87 PolarHBondContact O-N 3.34Å; R87-Y89 PolarHBondContact O-N 2.89Å; R87-Q123 PolarHBondContact NH1-O 2.83Å; R87-Q123 PolarHBondContact NH2-O 3.2Å; R87-G124 VanDerWaalsContact NH2-CA 3.26Å | ||
| 88 | K | 68.1 | Low | 78.2 | Confident | 193 Ų | 193 | 93.2 Ų | 93.2 | 84% | 0.839 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -61.4 | -26.5 | 167.7 | -62.9 | -77 | -176.9 | 179.4 | 0 | 112.5 | E86 | E86-K88 PolarHBondContact O-N 2.66Š|
| 89 | Y | 66.1 | Low | 77.8 | Confident | 157 Ų | 157 | 97.5 Ų | 97.5 | 62% | 0.616 | 49% | 0.486 | S | S | * | . | trans | -113.3 | 78.5 | -178 | -56.9 | -79.3 | 0 | 0 | 0 | 110 | R87 D91 | R87-Y89 PolarHBondContact O-N 2.89Å; Y89-D91 VanDerWaalsContact C-N 3.33Å; Y89-D91 PolarHBondContact O-N 3.32Å | ||
| 90 | K | 63.6 | Low | 77.3 | Confident | 128 Ų | 128 | 95.6 Ų | 95.6 | 56% | 0.557 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -29.2 | -176 | -78.5 | -167.5 | 167.2 | -157.4 | 0 | 114.1 | M92 | K90-M92 VanDerWaalsContact C-N 3.35Å; K90-M92 PolarHBondContact O-N 3.35Å |
| 91 | D | 62.1 | Low | 77 | Confident | 144 Ų | 144 | 94.1 Ų | 94.1 | 77% | 0.77 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.1 | -172.2 | -53.7 | -60.9 | 0 | 0 | 0 | 114.2 | Y89 N93 | Y89-D91 VanDerWaalsContact C-N 3.33Å; Y89-D91 PolarHBondContact O-N 3.32Å; D91-N93 PolarHBondContact O-N 2.91Å |
| 92 | M | 64.2 | Low | 77 | Confident | 107 Ų | 107 | 94.4 Ų | 94.4 | 53% | 0.527 | 47% | 0.473 | S | S | . | . | trans | -101.1 | 70.8 | -178.3 | -68.2 | -71.3 | 114.4 | 0 | 0 | 110.8 | K90 Q94 | K90-M92 VanDerWaalsContact C-N 3.35Å; K90-M92 PolarHBondContact O-N 3.35Å; M92-Q94 PolarHBondContact O-N 2.84Å | ||
| 93 | N | 64.4 | Low | 77 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | trans | -64.9 | -2.3 | 175.3 | -76.3 | 90.2 | 0 | 0 | 0 | 114.4 | D91 L119 | D91-N93 PolarHBondContact O-N 2.91Å; N93-L119 WeakPolarHBondContact O-CD1 3.47Å | ||
| 94 | Q | 69.4 | Low | 77.1 | Confident | 130 Ų | 130 | 93.9 Ų | 93.9 | 61% | 0.607 | 47% | 0.466 | S | S | * | . | trans | -112.2 | 51.4 | 175.7 | -73.8 | -179.1 | -14.5 | 0 | 0 | 111.1 | M92 G96 E97 | M92-Q94 PolarHBondContact O-N 2.84Å; Q94-G96 PolarHBondContact O-N 3.4Å; Q94-G96 VanDerWaalsContact O-N 3.15Å; Q94-E97 HydrophobicContact CB-CB 4.08Å; Q94-E97 HydrophobicContact CB-CG 4.25Å; Q94-E97 VanDerWaalsContact CG-OE2 3.29Å; Q94-E97 WeakPolarHBondContact CG-OE2 3.45Å; Q94-E97 PolarHBondContact NE2-OE2 2.9Å; Q94-E97 PolarHBondContact O-N 3.12Å; Q94-E97 PolarHBondContact OE1-OE2 2.91Å | ||
| 95 | F | 72 | Confident | 77.6 | Confident | 45 Ų | 45 | 96.9 Ų | 96.9 | 20% | 0.197 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 119.3 | 175.5 | -146.6 | -89.2 | 0 | 0 | 0 | 109.2 | Q100 L117 L119 L125 | F95-Q100 HydrophobicContact CD2-CG 4.45Å; F95-Q100 HydrophobicContact CE2-CG 4.49Å; F95-L117 HydrophobicContact CD1-CD1 3.91Å; F95-L117 HydrophobicContact CD1-CD2 4.09Å; F95-L117 HydrophobicContact CE1-CD1 4.23Å; F95-L117 HydrophobicContact CE1-CD2 4.12Å; F95-L119 HydrophobicContact CB-CD2 4.43Å; F95-L125 HydrophobicContact CB-CD1 4.06Å; F95-L125 HydrophobicContact CD1-CD1 3.76Å; F95-L125 HydrophobicContact CD1-CD2 3.34Å; F95-L125 HydrophobicContact CD1-CG 4.21Å; F95-L125 HydrophobicContact CD2-CD2 4.37Å; F95-L125 HydrophobicContact CE1-CD2 3.47Å; F95-L125 VanDerWaalsContact CE1-CD2 3.47Å; F95-L125 HydrophobicContact CE2-CD2 4.48Å; F95-L125 HydrophobicContact CG-CD1 4.16Å; F95-L125 HydrophobicContact CG-CD2 3.82Å; F95-L125 HydrophobicContact CZ-CD2 4.06Å |
| 96 | G | 72.8 | Confident | 78.3 | Confident | 28 Ų | 28 | 94.3 Ų | 94.3 | 29% | 0.289 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | -0.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q94 A101 | Q94-G96 PolarHBondContact O-N 3.4Å; Q94-G96 VanDerWaalsContact O-N 3.15Å; G96-A101 WeakPolarHBondContact O-CB 3.45Å |
| 97 | E | 82.4 | Confident | 79 | Confident | 111 Ų | 111 | 90.5 Ų | 90.5 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -113.9 | 168.3 | 170.9 | -51.5 | -173 | 155.6 | 0 | 0 | 111.6 | Q94 E99 Q100 A101 | Q94-E97 HydrophobicContact CB-CB 4.08Å; Q94-E97 HydrophobicContact CB-CG 4.25Å; Q94-E97 VanDerWaalsContact CG-OE2 3.29Å; Q94-E97 WeakPolarHBondContact CG-OE2 3.45Å; Q94-E97 PolarHBondContact NE2-OE2 2.9Å; Q94-E97 PolarHBondContact O-N 3.12Å; Q94-E97 PolarHBondContact OE1-OE2 2.91Å; E97-E99 PolarHBondContact O-N 3.16Å; E97-Q100 WeakPolarHBondContact O-CB 3.38Å; E97-Q100 PolarHBondContact O-N 2.79Å; E97-Q100 VanDerWaalsContact O-N 3.14Å; E97-A101 PolarHBondContact O-N 2.89Å |
| 98 | G | 86.1 | Confident | 80 | Confident | 56 Ų | 56 | 91.7 Ų | 91.7 | 58% | 0.577 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | 57.9 | -121.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 99 | E | 86.1 | Confident | 81.3 | Confident | 146 Ų | 146 | 89.7 Ų | 89.7 | 68% | 0.682 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -71.1 | -34.3 | -179.4 | -157.3 | -166.1 | -140.8 | 0 | 0 | 112.5 | E97 A101 K102 I103 | E97-E99 PolarHBondContact O-N 3.16Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.66Å; E99-K102 WeakPolarHBondContact O-CB 3.21Å; E99-K102 PolarHBondContact O-N 2.85Å; E99-I103 WeakPolarHBondContact O-CG1 3.24Å; E99-I103 PolarHBondContact O-N 2.9Å; E99-I103 VanDerWaalsContact O-N 3.08Å |
| 100 | Q | 84.2 | Confident | 82.8 | Confident | 32 Ų | 32 | 91.6 Ų | 91.6 | 15% | 0.15 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 176.9 | -71.1 | -72.9 | -17.3 | 0 | 0 | 111.4 | F95 E97 K102 I103 C104 | F95-Q100 HydrophobicContact CD2-CG 4.45Å; F95-Q100 HydrophobicContact CE2-CG 4.49Å; E97-Q100 WeakPolarHBondContact O-CB 3.38Å; E97-Q100 PolarHBondContact O-N 2.79Å; E97-Q100 VanDerWaalsContact O-N 3.14Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.85Å; Q100-I103 PolarHBondContact O-N 2.96Å; Q100-C104 PolarHBondContact O-N 2.84Å; Q100-C104 PolarHBondContact O-SG 2.87Å |
| 101 | A | 87.8 | Confident | 84.3 | Confident | 41 Ų | 41 | 86.7 Ų | 86.7 | 34% | 0.339 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G96 E97 E99 C104 L105 | G96-A101 WeakPolarHBondContact O-CB 3.45Å; E97-A101 PolarHBondContact O-N 2.89Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.66Å; A101-C104 PolarHBondContact O-N 2.7Å; A101-L105 WeakPolarHBondContact O-CB 3.38Å; A101-L105 PolarHBondContact O-N 3.49Å |
| 102 | K | 91.8 | Very high | 85.9 | Confident | 149 Ų | 149 | 82.7 Ų | 82.7 | 65% | 0.648 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.5 | -43.8 | 177.4 | -61.1 | 178.5 | -177.6 | 177.5 | 0 | 111.4 | E99 Q100 C104 L105 E106 | E99-K102 WeakPolarHBondContact O-CB 3.21Å; E99-K102 PolarHBondContact O-N 2.85Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.85Å; K102-C104 VanDerWaalsContact C-N 3.33Å; K102-C104 PolarHBondContact O-N 3.31Å; K102-L105 PolarHBondContact O-N 3.24Å; K102-E106 WeakPolarHBondContact O-CB 3.44Å; K102-E106 PolarHBondContact O-N 2.97Å |
| 103 | I | 90.1 | Very high | 87.4 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 32% | 0.318 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.5 | -63.7 | 168.3 | 0 | 0 | 0 | 110.1 | E99 Q100 L105 E106 I107 | E99-I103 WeakPolarHBondContact O-CG1 3.24Å; E99-I103 PolarHBondContact O-N 2.9Å; E99-I103 VanDerWaalsContact O-N 3.08Å; Q100-I103 PolarHBondContact O-N 2.96Å; I103-L105 VanDerWaalsContact C-N 3.35Å; I103-L105 PolarHBondContact O-N 3.37Å; I103-E106 PolarHBondContact O-N 3.32Å; I103-I107 HydrophobicContact CG2-CD1 3.8Å; I103-I107 HydrophobicContact CG2-CG1 4.39Å; I103-I107 VanDerWaalsContact O-CG1 3.29Å; I103-I107 WeakPolarHBondContact O-CG1 3.5Å; I103-I107 PolarHBondContact O-N 3.48Å |
| 104 | C | 91.1 | Very high | 88.9 | Confident | 13 Ų | 13 | 78 Ų | 78 | 9% | 0.088 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59 | -48 | 175.9 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | Q100 A101 K102 E106 I107 M108 L117 | Q100-C104 PolarHBondContact O-N 2.84Å; Q100-C104 PolarHBondContact O-SG 2.87Å; A101-C104 PolarHBondContact O-N 2.7Å; K102-C104 VanDerWaalsContact C-N 3.33Å; K102-C104 PolarHBondContact O-N 3.31Å; C104-E106 VanDerWaalsContact C-N 3.27Å; C104-E106 PolarHBondContact O-N 3.3Å; C104-I107 PolarHBondContact O-N 3.19Å; C104-M108 HydrophobicContact CB-CE 4.13Å; C104-M108 WeakPolarHBondContact O-CB 3.32Å; C104-M108 VanDerWaalsContact O-CG 3.25Å; C104-M108 WeakPolarHBondContact O-CG 3.33Å; C104-M108 PolarHBondContact O-N 2.86Å; C104-L117 WeakPolarHBondContact SG-CD1 3.48Å |
| 105 | L | 93.5 | Very high | 90.2 | Very high | 101 Ų | 101 | 72.6 Ų | 72.6 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 179.7 | -162.9 | 71.3 | 0 | 0 | 0 | 112.2 | A101 K102 I103 Q109 | A101-L105 WeakPolarHBondContact O-CB 3.38Å; A101-L105 PolarHBondContact O-N 3.49Å; K102-L105 PolarHBondContact O-N 3.24Å; I103-L105 VanDerWaalsContact C-N 3.35Å; I103-L105 PolarHBondContact O-N 3.37Å; L105-Q109 WeakPolarHBondContact O-CB 3.24Å; L105-Q109 PolarHBondContact O-N 2.63Å; L105-Q109 PolarHBondContact O-NE2 3.3Å |
| 106 | E | 94.8 | Very high | 91.2 | Very high | 88 Ų | 88 | 75.2 Ų | 75.2 | 41% | 0.411 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 174.9 | -179.6 | 173.6 | -166.9 | 0 | 0 | 111.7 | K102 I103 C104 M108 Q109 R110 | K102-E106 WeakPolarHBondContact O-CB 3.44Å; K102-E106 PolarHBondContact O-N 2.97Å; I103-E106 PolarHBondContact O-N 3.32Å; C104-E106 VanDerWaalsContact C-N 3.27Å; C104-E106 PolarHBondContact O-N 3.3Å; E106-M108 VanDerWaalsContact C-N 3.33Å; E106-M108 PolarHBondContact O-N 3.38Å; E106-Q109 PolarHBondContact O-N 3.11Å; E106-R110 HydrophobicContact CG-CG 4.28Å; E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 VanDerWaalsContact O-CG 3.31Å; E106-R110 WeakPolarHBondContact O-CG 3.31Å; E106-R110 PolarHBondContact O-N 3.29Å; E106-R110 IonicContact OE1-CZ 3.05Å; E106-R110 IonicContact OE1-NE 2.91Å; E106-R110 PolarHBondContact OE1-NE 2.92Å; E106-R110 IonicContact OE1-NH2 2.63Å; E106-R110 PolarHBondContact OE1-NH2 2.91Å |
| 107 | I | 94.4 | Very high | 92 | Very high | 54 Ų | 54 | 76 Ų | 76 | 28% | 0.277 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.3 | -66.9 | 165 | 0 | 0 | 0 | 109.8 | I103 C104 Q109 R110 T111 L115 A139 | I103-I107 HydrophobicContact CG2-CD1 3.8Å; I103-I107 HydrophobicContact CG2-CG1 4.39Å; I103-I107 VanDerWaalsContact O-CG1 3.29Å; I103-I107 WeakPolarHBondContact O-CG1 3.5Å; I103-I107 PolarHBondContact O-N 3.48Å; C104-I107 PolarHBondContact O-N 3.19Å; I107-Q109 VanDerWaalsContact C-N 3.34Å; I107-Q109 PolarHBondContact O-N 3.42Å; I107-R110 PolarHBondContact O-N 2.87Å; I107-T111 HydrophobicContact CG2-CG2 4.12Å; I107-T111 WeakPolarHBondContact O-CB 3.48Å; I107-T111 WeakPolarHBondContact O-CG2 3.36Å; I107-T111 PolarHBondContact O-N 3.26Å; I107-T111 PolarHBondContact O-OG1 3.32Å; I107-L115 HydrophobicContact CB-CD2 4.37Å; I107-L115 HydrophobicContact CG2-CD1 4.19Å; I107-L115 HydrophobicContact CG2-CD2 3.86Å; I107-A139 HydrophobicContact CG2-CB 4.23Å |
| 108 | M | 94.9 | Very high | 92.4 | Very high | 49 Ų | 49 | 74 Ų | 74 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 177.2 | -69.7 | -173.2 | -139.8 | 0 | 0 | 111.4 | C104 E106 G112 A113 L115 | C104-M108 HydrophobicContact CB-CE 4.13Å; C104-M108 WeakPolarHBondContact O-CB 3.32Å; C104-M108 VanDerWaalsContact O-CG 3.25Å; C104-M108 WeakPolarHBondContact O-CG 3.33Å; C104-M108 PolarHBondContact O-N 2.86Å; E106-M108 VanDerWaalsContact C-N 3.33Å; E106-M108 PolarHBondContact O-N 3.38Å; M108-G112 VanDerWaalsContact O-CA 3.24Å; M108-G112 WeakPolarHBondContact O-CA 3.02Å; M108-G112 PolarHBondContact O-N 3.15Å; M108-A113 VanDerWaalsContact CA-O 3.31Å; M108-A113 WeakPolarHBondContact CA-O 3.41Å; M108-A113 WeakPolarHBondContact CB-O 3.05Å; M108-A113 VanDerWaalsContact CG-O 3.3Å; M108-A113 WeakPolarHBondContact CG-O 3.47Å; M108-L115 HydrophobicContact CE-CB 3.72Å; M108-L115 WeakPolarHBondContact CE-O 3.35Å; M108-L115 HydrophobicContact CG-CB 3.96Å; M108-L115 HydrophobicContact CG-CD1 4.02Å; M108-L115 HydrophobicContact SD-CB 4.39Å |
| 109 | Q | 96.3 | Very high | 92.5 | Very high | 152 Ų | 152 | 75 Ų | 75 | 71% | 0.71 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.4 | -44 | 176.8 | -88.1 | 171.2 | 81.9 | 0 | 0 | 113.1 | L105 E106 I107 | L105-Q109 WeakPolarHBondContact O-CB 3.24Å; L105-Q109 PolarHBondContact O-N 2.63Å; L105-Q109 PolarHBondContact O-NE2 3.3Å; E106-Q109 PolarHBondContact O-N 3.11Å; I107-Q109 VanDerWaalsContact C-N 3.34Å; I107-Q109 PolarHBondContact O-N 3.42Å |
| 110 | R | 96.4 | Very high | 92.5 | Very high | 196 Ų | 196 | 70.5 Ų | 70.5 | 74% | 0.74 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.8 | -36.5 | -178.3 | -74.7 | -179.8 | 179.1 | -142 | 3.1 | 112.6 | E106 I107 | E106-R110 HydrophobicContact CG-CG 4.28Å; E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 VanDerWaalsContact O-CG 3.31Å; E106-R110 WeakPolarHBondContact O-CG 3.31Å; E106-R110 PolarHBondContact O-N 3.29Å; E106-R110 IonicContact OE1-CZ 3.05Å; E106-R110 IonicContact OE1-NE 2.91Å; E106-R110 PolarHBondContact OE1-NE 2.92Å; E106-R110 IonicContact OE1-NH2 2.63Å; E106-R110 PolarHBondContact OE1-NH2 2.91Å; I107-R110 PolarHBondContact O-N 2.87Å |
| 111 | T | 96.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 79.6 Ų | 79.6 | 15% | 0.153 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -98.5 | -25.8 | -173.3 | 65 | 0 | 0 | 0 | 0 | 113.1 | I107 A113 A135 K138 A139 | I107-T111 HydrophobicContact CG2-CG2 4.12Å; I107-T111 WeakPolarHBondContact O-CB 3.48Å; I107-T111 WeakPolarHBondContact O-CG2 3.36Å; I107-T111 PolarHBondContact O-N 3.26Å; I107-T111 PolarHBondContact O-OG1 3.32Å; T111-A113 PolarHBondContact OG1-N 3.26Å; T111-A135 VanDerWaalsContact O-CB 3.23Å; T111-A135 WeakPolarHBondContact O-CB 3.13Å; T111-K138 HydrophobicContact CG2-CB 4.02Å; T111-A139 HydrophobicContact CG2-CB 4.05Å |
| 112 | G | 95.3 | Very high | 92.6 | Very high | 60 Ų | 60 | 83.4 Ų | 83.4 | 62% | 0.619 | 43% | 0.425 | S | S | * | . | trans | 72.1 | 15.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M108 | M108-G112 VanDerWaalsContact O-CA 3.24Å; M108-G112 WeakPolarHBondContact O-CA 3.02Å; M108-G112 PolarHBondContact O-N 3.15Å | ||
| 113 | A | 96.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 80.6 Ų | 80.6 | 4% | 0.041 | 41% | 0.414 | C | S | . | . | trans | -91 | 153.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | M108 T111 L115 V129 A135 A139 | M108-A113 VanDerWaalsContact CA-O 3.31Å; M108-A113 WeakPolarHBondContact CA-O 3.41Å; M108-A113 WeakPolarHBondContact CB-O 3.05Å; M108-A113 VanDerWaalsContact CG-O 3.3Å; M108-A113 WeakPolarHBondContact CG-O 3.47Å; T111-A113 PolarHBondContact OG1-N 3.26Å; A113-L115 HydrophobicContact CB-CD1 3.96Å; A113-V129 HydrophobicContact CB-CG1 4.07Å; A113-A135 HydrophobicContact CB-CB 4.22Å; A113-A139 HydrophobicContact CB-CB 3.94Å | ||
| 114 | H | 95.8 | Very high | 92.2 | Very high | 95 Ų | 95 | 78 Ų | 78 | 44% | 0.44 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.5 | 170.4 | -169.9 | -91.6 | 0 | 0 | 0 | 109.1 | E116 V129 S130 | H114-E116 IonicContact CE1-OE1 3.12Å; H114-E116 PolarHBondContact CE1-OE1 2.97Å; H114-E116 IonicContact ND1-OE1 3.63Å; H114-V129 CarbonylContact O-C 3.55Å; H114-V129 WeakPolarHBondContact O-CA 3.37Å; H114-S130 PolarHBondContact N-O 3.45Å; H114-S130 PolarHBondContact O-N 3.23Å |
| 115 | L | 95 | Very high | 92.1 | Very high | 16 Ų | 16 | 77.6 Ų | 77.6 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.2 | 178.9 | -85.9 | 72.2 | 0 | 0 | 0 | 109.9 | I107 M108 A113 M128 V129 A139 | I107-L115 HydrophobicContact CB-CD2 4.37Å; I107-L115 HydrophobicContact CG2-CD1 4.19Å; I107-L115 HydrophobicContact CG2-CD2 3.86Å; M108-L115 HydrophobicContact CE-CB 3.72Å; M108-L115 WeakPolarHBondContact CE-O 3.35Å; M108-L115 HydrophobicContact CG-CB 3.96Å; M108-L115 HydrophobicContact CG-CD1 4.02Å; M108-L115 HydrophobicContact SD-CB 4.39Å; A113-L115 HydrophobicContact CB-CD1 3.96Å; L115-M128 CarbonylContact C-O 3.59Å; L115-M128 VanDerWaalsContact CA-O 3.3Å; L115-M128 WeakPolarHBondContact CA-O 3.25Å; L115-V129 HydrophobicContact CD1-CG1 4.08Å; L115-V129 HydrophobicContact CG-CG2 4.29Å; L115-A139 HydrophobicContact CD1-CB 4.23Å |
| 116 | E | 93.1 | Very high | 92.1 | Very high | 100 Ų | 100 | 73.9 Ų | 73.9 | 47% | 0.467 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 145.6 | 168.7 | -63.8 | -178.2 | -160 | 0 | 0 | 109.8 | H114 I127 M128 | H114-E116 IonicContact CE1-OE1 3.12Å; H114-E116 PolarHBondContact CE1-OE1 2.97Å; H114-E116 IonicContact ND1-OE1 3.63Å; E116-I127 WeakPolarHBondContact O-CA 3.31Å; E116-M128 HydrophobicContact CB-CB 4.28Å; E116-M128 HydrophobicContact CB-CE 3.88Å; E116-M128 HydrophobicContact CG-CE 3.77Å; E116-M128 PolarHBondContact N-O 3.02Å; E116-M128 PolarHBondContact O-N 3.05Å; E116-M128 WeakPolarHBondContact OE1-CE 3.49Å; E116-M128 WeakPolarHBondContact OE2-CE 3.47Å |
| 117 | L | 91.3 | Very high | 92 | Very high | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.236 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.4 | -178.1 | -63.3 | 167.2 | 0 | 0 | 0 | 108.6 | F95 C104 L125 S126 I127 | F95-L117 HydrophobicContact CD1-CD1 3.91Å; F95-L117 HydrophobicContact CD1-CD2 4.09Å; F95-L117 HydrophobicContact CE1-CD1 4.23Å; F95-L117 HydrophobicContact CE1-CD2 4.12Å; C104-L117 WeakPolarHBondContact SG-CD1 3.48Å; L117-L125 HydrophobicContact CB-CD1 4.34Å; L117-L125 HydrophobicContact CD2-CD1 4.21Å; L117-S126 WeakPolarHBondContact CA-O 3.35Å; L117-I127 HydrophobicContact CD2-CB 4.1Å; L117-I127 HydrophobicContact CD2-CD1 4.28Å; L117-I127 HydrophobicContact CD2-CG1 3.68Å; L117-I127 HydrophobicContact CD2-CG2 3.84Å |
| 118 | S | 89.9 | Confident | 92 | Very high | 68 Ų | 68 | 71.5 Ų | 71.5 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 141.1 | 171.2 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | L125 S126 | S118-L125 WeakPolarHBondContact O-CA 3.3Å; S118-S126 PolarHBondContact N-O 3.14Å; S118-S126 PolarHBondContact O-N 3.38Å |
| 119 | L | 88.7 | Confident | 92.1 | Very high | 78 Ų | 78 | 69.3 Ų | 69.3 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.7 | 172.5 | -68.3 | 169.6 | 0 | 0 | 0 | 109.4 | N93 F95 G124 L125 | N93-L119 WeakPolarHBondContact O-CD1 3.47Å; F95-L119 HydrophobicContact CB-CD2 4.43Å; L119-G124 CarbonylContact C-O 3.59Å; L119-G124 WeakPolarHBondContact CA-O 3.04Å; L119-L125 HydrophobicContact CD2-CB 4.34Å; L119-L125 HydrophobicContact CD2-CD1 4.02Å |
| 120 | A | 86.5 | Confident | 92.1 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | trans | -85.5 | 165.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D122 Q123 G124 | A120-D122 WeakPolarHBondContact CB-OD1 3.41Å; A120-D122 PolarHBondContact O-N 3.48Å; A120-Q123 WeakPolarHBondContact O-CA 3.3Å; A120-Q123 PolarHBondContact O-N 3.48Å; A120-G124 PolarHBondContact N-O 3.4Å | ||
| 121 | K | 85.8 | Confident | 92 | Very high | 223 Ų | 223 | 54.5 Ų | 54.5 | 97% | 0.97 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28.3 | -176 | -65.1 | -178.8 | 179.9 | 178.6 | 0 | 113.1 | Q123 | K121-Q123 PolarHBondContact O-N 3.45Š|
| 122 | D | 87.2 | Confident | 92 | Very high | 122 Ų | 122 | 60.3 Ų | 60.3 | 65% | 0.652 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 12.8 | 172.1 | 62.7 | -10.6 | 0 | 0 | 0 | 112.5 | A120 G124 | A120-D122 WeakPolarHBondContact CB-OD1 3.41Å; A120-D122 PolarHBondContact O-N 3.48Å; D122-G124 PolarHBondContact O-N 3.06Å; D122-G124 VanDerWaalsContact O-N 3.16Å; D122-G124 PolarHBondContact OD1-N 3.38Å |
| 123 | Q | 86.3 | Confident | 91.8 | Very high | 90 Ų | 90 | 62.5 Ų | 62.5 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 59.9 | 14.5 | -171.4 | -52.5 | -174.8 | -13.5 | 0 | 0 | 113.3 | L84 R87 A120 K121 | L84-Q123 HydrophobicContact CB-CB 4.44Å; L84-Q123 HydrophobicContact CD1-CB 4.27Å; L84-Q123 HydrophobicContact CD2-CB 4.26Å; R87-Q123 PolarHBondContact NH1-O 2.83Å; R87-Q123 PolarHBondContact NH2-O 3.2Å; A120-Q123 WeakPolarHBondContact O-CA 3.3Å; A120-Q123 PolarHBondContact O-N 3.48Å; K121-Q123 PolarHBondContact O-N 3.45Å |
| 124 | G | 88.3 | Confident | 91.7 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 8% | 0.082 | 35% | 0.354 | C | S | . | . | trans | -64.1 | 158 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R87 L119 A120 D122 | R87-G124 VanDerWaalsContact NH2-CA 3.26Å; L119-G124 CarbonylContact C-O 3.59Å; L119-G124 WeakPolarHBondContact CA-O 3.04Å; A120-G124 PolarHBondContact N-O 3.4Å; D122-G124 PolarHBondContact O-N 3.06Å; D122-G124 VanDerWaalsContact O-N 3.16Å; D122-G124 PolarHBondContact OD1-N 3.38Å | ||
| 125 | L | 89.4 | Confident | 91.6 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.9 | -177.1 | 172.2 | 73.1 | 0 | 0 | 0 | 106.7 | H81 V82 F95 L117 S118 L119 I127 | H81-L125 CarbonylContact C-O 3.6Å; H81-L125 WeakPolarHBondContact CA-O 3.47Å; V82-L125 HydrophobicContact CB-CB 4.29Å; V82-L125 PolarHBondContact N-O 2.79Å; V82-L125 PolarHBondContact O-N 3.27Å; F95-L125 HydrophobicContact CB-CD1 4.06Å; F95-L125 HydrophobicContact CD1-CD1 3.76Å; F95-L125 HydrophobicContact CD1-CD2 3.34Å; F95-L125 HydrophobicContact CD1-CG 4.21Å; F95-L125 HydrophobicContact CD2-CD2 4.37Å; F95-L125 HydrophobicContact CE1-CD2 3.47Å; F95-L125 VanDerWaalsContact CE1-CD2 3.47Å; F95-L125 HydrophobicContact CE2-CD2 4.48Å; F95-L125 HydrophobicContact CG-CD1 4.16Å; F95-L125 HydrophobicContact CG-CD2 3.82Å; F95-L125 HydrophobicContact CZ-CD2 4.06Å; L117-L125 HydrophobicContact CB-CD1 4.34Å; L117-L125 HydrophobicContact CD2-CD1 4.21Å; S118-L125 WeakPolarHBondContact O-CA 3.3Å; L119-L125 HydrophobicContact CD2-CB 4.34Å; L119-L125 HydrophobicContact CD2-CD1 4.02Å; L125-I127 HydrophobicContact CD2-CD1 3.97Å; L125-I127 HydrophobicContact CD2-CG1 3.95Å; L125-I127 HydrophobicContact CG-CG1 3.96Å |
| 126 | S | 91.7 | Very high | 91.6 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.2 | 172.8 | -172 | 0 | 0 | 0 | 0 | 108.9 | V79 F80 L117 S118 | V79-S126 VanDerWaalsContact CG1-OG 3.24Å; V79-S126 WeakPolarHBondContact CG1-OG 3.46Å; F80-S126 CarbonylContact O-C 3.6Å; F80-S126 WeakPolarHBondContact O-CA 3.5Å; L117-S126 WeakPolarHBondContact CA-O 3.35Å; S118-S126 PolarHBondContact N-O 3.14Å; S118-S126 PolarHBondContact O-N 3.38Å |
| 127 | I | 93 | Very high | 91.6 | Very high | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.195 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 110.4 | 178.6 | -47.6 | -178.5 | 0 | 0 | 0 | 107.2 | V79 F80 V82 E116 L117 L125 V129 | V79-I127 CarbonylContact C-O 3.41Å; V79-I127 WeakPolarHBondContact CA-O 3.31Å; F80-I127 HydrophobicContact CB-CB 4.37Å; F80-I127 PolarHBondContact N-O 3.08Å; F80-I127 PolarHBondContact O-N 2.84Å; V82-I127 HydrophobicContact CG2-CD1 4.11Å; E116-I127 WeakPolarHBondContact O-CA 3.31Å; L117-I127 HydrophobicContact CD2-CB 4.1Å; L117-I127 HydrophobicContact CD2-CD1 4.28Å; L117-I127 HydrophobicContact CD2-CG1 3.68Å; L117-I127 HydrophobicContact CD2-CG2 3.84Å; L125-I127 HydrophobicContact CD2-CD1 3.97Å; L125-I127 HydrophobicContact CD2-CG1 3.95Å; L125-I127 HydrophobicContact CG-CG1 3.96Å; I127-V129 HydrophobicContact CG2-CG2 4.17Å |
| 128 | M | 95.1 | Very high | 91.8 | Very high | 53 Ų | 53 | 66.2 Ų | 66.2 | 26% | 0.261 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.6 | 172.8 | -178.3 | 172.7 | 63.3 | 0 | 0 | 109.6 | T77 Q78 V79 L115 E116 | T77-M128 HydrophobicContact CG2-CG 3.59Å; T77-M128 HydrophobicContact CG2-SD 3.7Å; Q78-M128 CarbonylContact O-C 3.55Å; Q78-M128 WeakPolarHBondContact O-CA 3.3Å; V79-M128 HydrophobicContact CG2-CB 4.33Å; V79-M128 HydrophobicContact CG2-CG 4.17Å; L115-M128 CarbonylContact C-O 3.59Å; L115-M128 VanDerWaalsContact CA-O 3.3Å; L115-M128 WeakPolarHBondContact CA-O 3.25Å; E116-M128 HydrophobicContact CB-CB 4.28Å; E116-M128 HydrophobicContact CB-CE 3.88Å; E116-M128 HydrophobicContact CG-CE 3.77Å; E116-M128 PolarHBondContact N-O 3.02Å; E116-M128 PolarHBondContact O-N 3.05Å; E116-M128 WeakPolarHBondContact OE1-CE 3.49Å; E116-M128 WeakPolarHBondContact OE2-CE 3.47Å |
| 129 | V | 96.4 | Very high | 92 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 117.6 | 176.6 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | T77 Q78 F80 A113 H114 L115 I127 V136 A139 | T77-V129 CarbonylContact C-O 3.59Å; T77-V129 WeakPolarHBondContact CA-O 3.34Å; Q78-V129 PolarHBondContact N-O 2.85Å; Q78-V129 PolarHBondContact O-N 3.44Å; F80-V129 HydrophobicContact CD2-CG2 4.2Å; F80-V129 HydrophobicContact CE2-CG2 4.01Å; A113-V129 HydrophobicContact CB-CG1 4.07Å; H114-V129 CarbonylContact O-C 3.55Å; H114-V129 WeakPolarHBondContact O-CA 3.37Å; L115-V129 HydrophobicContact CD1-CG1 4.08Å; L115-V129 HydrophobicContact CG-CG2 4.29Å; I127-V129 HydrophobicContact CG2-CG2 4.17Å; V129-V136 HydrophobicContact CG1-CB 4.39Å; V129-V136 HydrophobicContact CG1-CG1 4.08Å; V129-V136 HydrophobicContact CG1-CG2 4.18Å; V129-A139 HydrophobicContact CG1-CB 3.83Å |
| 130 | S | 95.7 | Very high | 92.1 | Very high | 26 Ų | 26 | 66.5 Ų | 66.5 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.1 | -177.9 | -168.1 | 0 | 0 | 0 | 0 | 111.3 | I76 T77 H114 | I76-S130 CarbonylContact O-C 3.53Å; I76-S130 VanDerWaalsContact O-CA 3.31Å; I76-S130 WeakPolarHBondContact O-CA 3.35Å; T77-S130 PolarHBondContact OG1-OG 3.25Å; H114-S130 PolarHBondContact N-O 3.45Å; H114-S130 PolarHBondContact O-N 3.23Å |
| 131 | G | 95.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 75.6 Ų | 75.6 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.7 | -171.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V75 I76 | V75-G131 CarbonylContact C-O 3.55Å; V75-G131 WeakPolarHBondContact CA-O 3.47Å; I76-G131 PolarHBondContact N-O 3.25Å; I76-G131 PolarHBondContact O-N 2.79Å |
| 132 | K | 94.8 | Very high | 92 | Very high | 147 Ų | 147 | 68.2 Ų | 68.2 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | trans | -60.8 | 154.4 | 172 | -65.3 | -179.2 | -178.8 | 175.9 | 0 | 110.6 | S74 D134 A135 V136 | S74-K132 WeakPolarHBondContact O-CA 3.36Å; K132-D134 VanDerWaalsContact C-N 3.29Å; K132-D134 PolarHBondContact O-N 3.34Å; K132-A135 HydrophobicContact CB-CB 4.39Å; K132-A135 WeakPolarHBondContact O-CB 3.42Å; K132-A135 PolarHBondContact O-N 3.32Å; K132-V136 WeakPolarHBondContact O-CG2 3.5Å; K132-V136 PolarHBondContact O-N 3.48Å | ||
| 133 | L | 92 | Very high | 92.3 | Very high | 107 Ų | 107 | 65.4 Ų | 65.4 | 56% | 0.56 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -49.6 | -48.7 | -179.8 | -179 | 63.1 | 0 | 0 | 0 | 112.4 | I76 A135 V136 M137 | I76-L133 HydrophobicContact CD1-CD1 3.66Å; L133-A135 PolarHBondContact O-N 3.05Å; L133-V136 PolarHBondContact O-N 2.91Å; L133-M137 HydrophobicContact CD1-CG 4.16Å; L133-M137 WeakPolarHBondContact O-CB 3.33Å; L133-M137 WeakPolarHBondContact O-CG 3.35Å; L133-M137 PolarHBondContact O-N 3.34Å |
| 134 | D | 93.5 | Very high | 92.6 | Very high | 118 Ų | 118 | 64 Ų | 64 | 63% | 0.631 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.9 | -37.3 | 179.7 | -61.9 | -49.7 | 0 | 0 | 0 | 113.2 | K132 K138 | K132-D134 VanDerWaalsContact C-N 3.29Å; K132-D134 PolarHBondContact O-N 3.34Å; D134-K138 WeakPolarHBondContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CG 3.41Å; D134-K138 PolarHBondContact O-N 3.24Å |
| 135 | A | 95.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T111 A113 K132 L133 K138 A139 | T111-A135 VanDerWaalsContact O-CB 3.23Å; T111-A135 WeakPolarHBondContact O-CB 3.13Å; A113-A135 HydrophobicContact CB-CB 4.22Å; K132-A135 HydrophobicContact CB-CB 4.39Å; K132-A135 WeakPolarHBondContact O-CB 3.42Å; K132-A135 PolarHBondContact O-N 3.32Å; L133-A135 PolarHBondContact O-N 3.05Å; A135-K138 PolarHBondContact O-N 3.42Å; A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 3.02Å |
| 136 | V | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 177.8 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | I76 Q78 V129 K132 L133 K138 A139 R140 | I76-V136 HydrophobicContact CD1-CB 3.91Å; I76-V136 HydrophobicContact CD1-CG1 3.87Å; I76-V136 HydrophobicContact CD1-CG2 4.26Å; I76-V136 HydrophobicContact CG1-CB 3.98Å; I76-V136 HydrophobicContact CG1-CG1 4.17Å; I76-V136 HydrophobicContact CG1-CG2 3.75Å; Q78-V136 HydrophobicContact CB-CG1 4.43Å; Q78-V136 HydrophobicContact CG-CG1 4.1Å; V129-V136 HydrophobicContact CG1-CB 4.39Å; V129-V136 HydrophobicContact CG1-CG1 4.08Å; V129-V136 HydrophobicContact CG1-CG2 4.18Å; K132-V136 WeakPolarHBondContact O-CG2 3.5Å; K132-V136 PolarHBondContact O-N 3.48Å; L133-V136 PolarHBondContact O-N 2.91Å; V136-K138 VanDerWaalsContact C-N 3.26Å; V136-K138 PolarHBondContact O-N 2.95Å; V136-A139 PolarHBondContact O-N 3.26Å; V136-R140 WeakPolarHBondContact O-CB 3.49Å; V136-R140 PolarHBondContact O-N 3.26Å |
| 137 | M | 93.6 | Very high | 93.2 | Very high | 77 Ų | 77 | 74.5 Ų | 74.5 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.7 | -30 | 176.6 | -70.5 | -65.3 | -69.4 | 0 | 0 | 113 | L133 | L133-M137 HydrophobicContact CD1-CG 4.16Å; L133-M137 WeakPolarHBondContact O-CB 3.33Å; L133-M137 WeakPolarHBondContact O-CG 3.35Å; L133-M137 PolarHBondContact O-N 3.34Å |
| 138 | K | 94.9 | Very high | 93.2 | Very high | 134 Ų | 134 | 77.1 Ų | 77.1 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -74.7 | -43.1 | 172.6 | -74.3 | 170.8 | -176.1 | 179.8 | 0 | 112.2 | T111 D134 A135 V136 R140 K141 | T111-K138 HydrophobicContact CG2-CB 4.02Å; D134-K138 WeakPolarHBondContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CG 3.41Å; D134-K138 PolarHBondContact O-N 3.24Å; A135-K138 PolarHBondContact O-N 3.42Å; V136-K138 VanDerWaalsContact C-N 3.26Å; V136-K138 PolarHBondContact O-N 2.95Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 3.41Å; K138-K141 PolarHBondContact O-N 3.3Å |
| 139 | A | 93.9 | Very high | 93 | Very high | 16 Ų | 16 | 78.9 Ų | 78.9 | 13% | 0.132 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.4 | -22.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I107 T111 A113 L115 V129 A135 V136 | I107-A139 HydrophobicContact CG2-CB 4.23Å; T111-A139 HydrophobicContact CG2-CB 4.05Å; A113-A139 HydrophobicContact CB-CB 3.94Å; L115-A139 HydrophobicContact CD1-CB 4.23Å; V129-A139 HydrophobicContact CG1-CB 3.83Å; A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 3.02Å; V136-A139 PolarHBondContact O-N 3.26Å |
| 140 | R | 89.9 | Confident | 92.7 | Very high | 135 Ų | 135 | 85.2 Ų | 85.2 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -21.3 | 177.6 | -162.5 | -172.8 | 79.5 | -169.3 | 6.2 | 114.1 | F80 V136 K138 | F80-R140 HydrophobicContact CE1-CG 4.21Å; F80-R140 HydrophobicContact CE2-CG 4.28Å; F80-R140 HydrophobicContact CZ-CG 3.65Å; V136-R140 WeakPolarHBondContact O-CB 3.49Å; V136-R140 PolarHBondContact O-N 3.26Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 3.41Å |
| 141 | K | 78.9 | Confident | 92.5 | Very high | 242 Ų | 242 | 90.5 Ų | 90.5 | 100% | 1.052 | 43% | 0.425 | S | S | * | . | trans | -79.7 | 0 | -175.2 | -80.9 | -176 | 176.7 | -176.9 | 0 | 111.5 | K138 | K138-K141 PolarHBondContact O-N 3.3Š|
Retrieved 141 of 141 residues in 82 ms
(Link to these results)