| 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 | 47.3 | Very low | 46.1 | Very low | 244 Ų | 244 | 140.3 Ų | 140.3 | 100% | 1.202 | 84% | 0.836 | S | S | * | * | 0 | 138.3 | 0 | -74.3 | -111.6 | -147.3 | 0 | 0 | 107.9 | |||||
| 2 | A | 40.7 | Very low | 46.6 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 79% | 0.793 | 84% | 0.838 | S | S | * | * | trans | 72.2 | 141 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3 | T | 37.3 | Very low | 47.4 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | cis | -167.6 | 134 | -4.5 | 26.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 4 | L | 45.7 | Very low | 48.6 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | trans | -82.7 | 117.6 | 166.2 | -80.1 | 150.2 | 0 | 0 | 0 | 109 | ||||
| 5 | T | 46.5 | Very low | 49.5 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 71% | 0.712 | 82% | 0.822 | S | S | * | * | trans | -150.2 | 134.7 | 158.4 | 107.3 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 6 | S | 44.5 | Very low | 49.9 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | cis | -158.9 | 142.8 | 30.4 | -61.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | Q | 46.2 | Very low | 49.9 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -104.7 | 113.6 | 160.2 | -93.9 | 179.7 | -14.7 | 0 | 0 | 108.8 | ||||
| 8 | D | 49.4 | Very low | 50 | Low | 141 Ų | 141 | 149.8 Ų | 149.8 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | trans | 27.3 | 99.6 | 141.6 | -153 | -98.5 | 0 | 0 | 0 | 117.5 | ||||
| 9 | S | 43.4 | Very low | 50.3 | Low | 115 Ų | 115 | 148.2 Ų | 148.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -105.6 | 104.4 | 157.8 | -157.2 | 0 | 0 | 0 | 0 | 107.6 | A11 | S9-A11 PolarHBondContact O-N 2.77Š| ||
| 10 | T | 55.8 | Low | 50.5 | Low | 123 Ų | 123 | 146.1 Ų | 146.1 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -54.7 | 99.9 | 174 | 118 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 11 | A | 50.4 | Low | 50.5 | Low | 92 Ų | 92 | 145.4 Ų | 145.4 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -111.5 | 110.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107 | S9 A13 | S9-A11 PolarHBondContact O-N 2.77Å; A11-A13 PolarHBondContact O-N 2.91Å | ||
| 12 | Q | 52.5 | Low | 50.6 | Low | 184 Ų | 184 | 137.1 Ų | 137.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -23.5 | 120.4 | 179.1 | -62 | 175.6 | -5.8 | 0 | 0 | 113.6 | R14 | Q12-R14 PolarHBondContact O-N 3.48Š| ||
| 13 | A | 56.6 | Low | 50.6 | Low | 101 Ų | 101 | 137.9 Ų | 137.9 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -65.8 | 81.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A11 V15 | A11-A13 PolarHBondContact O-N 2.91Å; A13-V15 PolarHBondContact O-N 2.82Å | ||
| 14 | R | 63.9 | Low | 51 | Low | 190 Ų | 190 | 141.5 Ų | 141.5 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -77.8 | 102.9 | 167.4 | -170.6 | 150.6 | -168 | 149.6 | 1.3 | 107.3 | Q12 Y16 | Q12-R14 PolarHBondContact O-N 3.48Å; R14-Y16 HydrophobicContact CB-CE2 4.18Å; R14-Y16 HydrophobicContact CG-CE1 4.16Å; R14-Y16 HydrophobicContact CG-CE2 4.45Å; R14-Y16 WeakPolarHBondContact O-CD2 3.49Å; R14-Y16 VanDerWaalsContact O-CE2 3.31Å; R14-Y16 WeakPolarHBondContact O-CE2 3.3Å; R14-Y16 PolarHBondContact O-N 3.04Å | ||
| 15 | V | 63 | Low | 50.6 | Low | 120 Ų | 120 | 138.6 Ų | 138.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -63.2 | 105.9 | 171.4 | -70.6 | 0 | 0 | 0 | 0 | 108.6 | A13 | A13-V15 PolarHBondContact O-N 2.82Š| ||
| 16 | Y | 54.8 | Low | 50.5 | Low | 182 Ų | 182 | 139 Ų | 139 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -83.9 | 114.1 | 165.9 | -57.6 | -81.2 | 0 | 0 | 0 | 106.6 | R14 Q18 | R14-Y16 HydrophobicContact CB-CE2 4.18Å; R14-Y16 HydrophobicContact CG-CE1 4.16Å; R14-Y16 HydrophobicContact CG-CE2 4.45Å; R14-Y16 WeakPolarHBondContact O-CD2 3.49Å; R14-Y16 VanDerWaalsContact O-CE2 3.31Å; R14-Y16 WeakPolarHBondContact O-CE2 3.3Å; R14-Y16 PolarHBondContact O-N 3.04Å; Y16-Q18 PolarHBondContact O-N 3.36Å; Y16-Q18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | F | 50.7 | Low | 50.2 | Low | 192 Ų | 192 | 141.4 Ų | 141.4 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -67.6 | 106.3 | 162.2 | -91.2 | -93.8 | 0 | 0 | 0 | 107.1 | T19 | F17-T19 PolarHBondContact O-N 3.23Š| ||
| 18 | Q | 51.8 | Low | 50.2 | Low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -88.9 | 97.5 | 177.6 | -162.8 | 145.8 | 70.2 | 0 | 0 | 107.5 | Y16 | Y16-Q18 PolarHBondContact O-N 3.36Å; Y16-Q18 VanDerWaalsContact O-N 3.09Å | ||
| 19 | T | 55.1 | Low | 49.9 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -81 | 126 | 174.5 | -27.7 | 0 | 0 | 0 | 0 | 108.7 | F17 | F17-T19 PolarHBondContact O-N 3.23Š|
| 20 | P | 54.8 | Low | 50.4 | Low | 106 Ų | 106 | 138.7 Ų | 138.7 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 143.4 | 178.3 | 25.8 | -33.2 | 0 | 0 | 0 | 110.9 | ||
| 21 | P | 50.1 | Low | 49.9 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -82.2 | 127.8 | 176.6 | 33 | -28.8 | 0 | 0 | 0 | 109 | ||
| 22 | G | 49.4 | Very low | 49.4 | Very low | 71 Ų | 71 | 145.8 Ų | 145.8 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 93.3 | 69.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 23 | T | 39.8 | Very low | 48.7 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -134.3 | 103.3 | 135.9 | -45.1 | 0 | 0 | 0 | 0 | 105.8 | D25 | T23-D25 HydrophobicContact CG2-CB 4.12Å; T23-D25 PolarHBondContact O-N 3.28Å | ||
| 24 | E | 46.8 | Very low | 47.7 | Very low | 202 Ų | 202 | 146.1 Ų | 146.1 | 94% | 0.944 | 76% | 0.76 | S | S | * | * | trans | -58.7 | 88.6 | 159.1 | 179.8 | 174.9 | 91.3 | 0 | 0 | 106 | ||||
| 25 | D | 37.3 | Very low | 46.1 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | trans | -134.3 | 148.6 | 169.7 | -143 | -65.7 | 0 | 0 | 0 | 108.2 | T23 E27 | T23-D25 HydrophobicContact CG2-CB 4.12Å; T23-D25 PolarHBondContact O-N 3.28Å; D25-E27 PolarHBondContact O-N 2.66Å | ||
| 26 | T | 44.3 | Very low | 45 | Very low | 125 Ų | 125 | 142 Ų | 142 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | -78.8 | 74.5 | -163.9 | -56.1 | 0 | 0 | 0 | 0 | 108.1 | V28 | T26-V28 WeakPolarHBondContact O-CG2 3.4Å; T26-V28 PolarHBondContact O-N 3.21Å | ||
| 27 | E | 38.6 | Very low | 44.3 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | -86.2 | 88.7 | 177.9 | 54.1 | -172.8 | 150.8 | 0 | 0 | 110.3 | D25 V29 | D25-E27 PolarHBondContact O-N 2.66Å; E27-V29 PolarHBondContact O-N 3.35Å | ||
| 28 | V | 46.5 | Very low | 44.4 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | -45.6 | 82.9 | 155.9 | -138.8 | 0 | 0 | 0 | 0 | 108.5 | T26 Q30 | T26-V28 WeakPolarHBondContact O-CG2 3.4Å; T26-V28 PolarHBondContact O-N 3.21Å; V28-Q30 PolarHBondContact O-N 3.32Å | ||
| 29 | V | 42.1 | Very low | 44.7 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 62% | 0.624 | 71% | 0.707 | S | S | * | * | trans | -67.9 | 92.1 | 164 | 175.5 | 0 | 0 | 0 | 0 | 105 | E27 K31 | E27-V29 PolarHBondContact O-N 3.35Å; V29-K31 HydrophobicContact CG1-CG 3.93Å; V29-K31 PolarHBondContact O-N 3.47Å | ||
| 30 | Q | 54 | Low | 45.4 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -54.1 | 82.3 | 161.9 | -70.5 | -176.5 | -17.3 | 0 | 0 | 107.5 | V28 Q32 | V28-Q30 PolarHBondContact O-N 3.32Å; Q30-Q32 PolarHBondContact O-N 2.92Å | ||
| 31 | K | 44.3 | Very low | 46.4 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | -68 | 90.1 | 160.5 | -67.6 | -171.7 | 179.8 | 179.8 | 0 | 104.4 | V29 G33 | V29-K31 HydrophobicContact CG1-CG 3.93Å; V29-K31 PolarHBondContact O-N 3.47Å; K31-G33 WeakPolarHBondContact O-CA 3.03Å; K31-G33 PolarHBondContact O-N 3.21Å | ||
| 32 | Q | 41.9 | Very low | 47.7 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 69% | 0.69 | S | S | * | * | trans | -25.7 | 102.8 | 169.6 | -69.8 | 171.5 | -12.2 | 0 | 0 | 108 | Q30 R34 | Q30-Q32 PolarHBondContact O-N 2.92Å; Q32-R34 PolarHBondContact O-N 3.32Å | ||
| 33 | G | 37.1 | Very low | 49 | Very low | 61 Ų | 61 | 132.2 Ų | 132.2 | 63% | 0.629 | 66% | 0.659 | S | S | * | * | trans | -55.7 | 115.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | K31 V35 | K31-G33 WeakPolarHBondContact O-CA 3.03Å; K31-G33 PolarHBondContact O-N 3.21Å; G33-V35 PolarHBondContact O-N 3.49Å | ||
| 34 | R | 36.3 | Very low | 50.9 | Low | 232 Ų | 232 | 130 Ų | 130 | 88% | 0.875 | 64% | 0.642 | S | S | * | * | trans | -64.7 | 87.3 | 158.7 | -77.8 | -171.3 | 176.7 | -165.3 | -0.6 | 105.7 | Q32 T36 | Q32-R34 PolarHBondContact O-N 3.32Å; R34-T36 PolarHBondContact O-N 2.97Å | ||
| 35 | V | 28.8 | Very low | 52.5 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 66% | 0.655 | 62% | 0.623 | S | S | * | * | trans | -76.3 | 60.7 | 167.8 | -174.4 | 0 | 0 | 0 | 0 | 106.2 | G33 V37 | G33-V35 PolarHBondContact O-N 3.49Å; V35-V37 HydrophobicContact CG1-CG2 4.04Å; V35-V37 PolarHBondContact O-N 3.46Å | ||
| 36 | T | 39.5 | Very low | 54.7 | Low | 116 Ų | 116 | 126 Ų | 126 | 71% | 0.712 | 61% | 0.611 | S | S | * | * | trans | -77.8 | 84.7 | 163.3 | 51.3 | 0 | 0 | 0 | 0 | 105.3 | R34 K38 | R34-T36 PolarHBondContact O-N 2.97Å; T36-K38 PolarHBondContact O-N 2.94Å; T36-K38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | V | 42.1 | Very low | 56.4 | Low | 10 Ų | 10 | 121.7 Ų | 121.7 | 6% | 0.061 | 58% | 0.581 | C | S | . | * | trans | -47.8 | 123.6 | 161.3 | 180 | 0 | 0 | 0 | 0 | 105.8 | V35 Y39 S121 T122 | V35-V37 HydrophobicContact CG1-CG2 4.04Å; V35-V37 PolarHBondContact O-N 3.46Å; V37-Y39 HydrophobicContact CB-CD1 4.16Å; V37-Y39 HydrophobicContact CB-CD2 4.44Å; V37-Y39 HydrophobicContact CB-CE1 3.63Å; V37-Y39 HydrophobicContact CB-CE2 3.92Å; V37-Y39 VanDerWaalsContact CB-CZ 3.5Å; V37-Y39 HydrophobicContact CG1-CD1 3.7Å; V37-Y39 HydrophobicContact CG1-CE1 3.36Å; V37-Y39 HydrophobicContact CG1-CG 4.43Å; V37-Y39 HydrophobicContact CG2-CE1 4.45Å; V37-Y39 WeakPolarHBondContact O-CD2 3.44Å; V37-Y39 PolarHBondContact O-N 3.27Å; V37-S121 WeakPolarHBondContact CG1-O 3.31Å; V37-T122 HydrophobicContact CG2-CG2 3.88Å | ||
| 38 | K | 50.9 | Low | 58.5 | Low | 205 Ų | 205 | 118.8 Ų | 118.8 | 89% | 0.891 | 57% | 0.571 | S | S | * | * | trans | -76.6 | 85 | -176.7 | -165.6 | -176.4 | 179.7 | -176.2 | 0 | 107.5 | T36 | T36-K38 PolarHBondContact O-N 2.94Å; T36-K38 VanDerWaalsContact O-N 3.15Å | ||
| 39 | Y | 58.7 | Low | 60.3 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 42% | 0.424 | 56% | 0.561 | S | S | . | * | trans | -72.1 | 139.5 | 176.1 | -56.3 | -61.9 | 0 | 0 | 0 | 110.3 | V37 R41 L44 L120 | V37-Y39 HydrophobicContact CB-CD1 4.16Å; V37-Y39 HydrophobicContact CB-CD2 4.44Å; V37-Y39 HydrophobicContact CB-CE1 3.63Å; V37-Y39 HydrophobicContact CB-CE2 3.92Å; V37-Y39 VanDerWaalsContact CB-CZ 3.5Å; V37-Y39 HydrophobicContact CG1-CD1 3.7Å; V37-Y39 HydrophobicContact CG1-CE1 3.36Å; V37-Y39 HydrophobicContact CG1-CG 4.43Å; V37-Y39 HydrophobicContact CG2-CE1 4.45Å; V37-Y39 WeakPolarHBondContact O-CD2 3.44Å; V37-Y39 PolarHBondContact O-N 3.27Å; Y39-R41 PolarHBondContact O-N 3.48Å; Y39-L44 HydrophobicContact CD2-CD1 4.49Å; Y39-L44 HydrophobicContact CD2-CD2 4.29Å; Y39-L44 HydrophobicContact CG-CD1 4.36Å; Y39-L44 HydrophobicContact CG-CD2 4.03Å; Y39-L44 HydrophobicContact CG-CG 4.36Å; Y39-L120 HydrophobicContact CD1-CB 3.69Å; Y39-L120 HydrophobicContact CD1-CD1 3.65Å; Y39-L120 HydrophobicContact CD1-CD2 3.9Å; Y39-L120 HydrophobicContact CD1-CG 3.93Å; Y39-L120 HydrophobicContact CE1-CB 3.79Å; Y39-L120 HydrophobicContact CE1-CD1 3.96Å; Y39-L120 HydrophobicContact CE1-CG 4.37Å; Y39-L120 HydrophobicContact CG-CD1 4.38Å | ||
| 40 | D | 70.6 | Confident | 62.3 | Low | 100 Ų | 100 | 113.2 Ų | 113.2 | 54% | 0.535 | 53% | 0.533 | S | S | . | . | trans | -72.3 | 125.7 | 174 | -157.6 | -69.6 | 0 | 0 | 0 | 109.1 | K42 E43 L44 | D40-K42 PolarHBondContact O-N 2.88Å; D40-K42 VanDerWaalsContact O-N 3.15Å; D40-K42 PolarHBondContact OD1-N 3.44Å; D40-E43 HydrophobicContact CB-CB 3.96Å; D40-E43 PolarHBondContact O-N 2.88Å; D40-L44 PolarHBondContact O-N 2.87Å | ||
| 41 | R | 74.7 | Confident | 63.6 | Low | 182 Ų | 182 | 109.1 Ų | 109.1 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.1 | -30.6 | -176.6 | -175.8 | 176.4 | -178.8 | 167 | 2.5 | 112.1 | Y39 R45 | Y39-R41 PolarHBondContact O-N 3.48Å; R41-R45 WeakPolarHBondContact O-CG 3.47Å; R41-R45 PolarHBondContact O-N 3.36Å |
| 42 | K | 78.1 | Confident | 65.4 | Low | 159 Ų | 159 | 106 Ų | 106 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.7 | -39.3 | 176.7 | -66.5 | -179.9 | 179.1 | 178.2 | 0 | 111 | D40 R45 K46 | D40-K42 PolarHBondContact O-N 2.88Å; D40-K42 VanDerWaalsContact O-N 3.15Å; D40-K42 PolarHBondContact OD1-N 3.44Å; K42-R45 WeakPolarHBondContact O-CB 3.37Å; K42-R45 PolarHBondContact O-N 3.1Å; K42-K46 PolarHBondContact O-N 3.37Å; K42-K46 VanDerWaalsContact O-N 3.12Å |
| 43 | E | 76.6 | Confident | 67.6 | Low | 16 Ų | 16 | 99.3 Ų | 99.3 | 8% | 0.075 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -72.9 | -41.2 | -179 | -161.2 | 58 | -149.3 | 0 | 0 | 111.6 | D40 R45 K46 R47 L117 Q118 L120 | D40-E43 HydrophobicContact CB-CB 3.96Å; D40-E43 PolarHBondContact O-N 2.88Å; E43-R45 PolarHBondContact O-N 3.47Å; E43-K46 WeakPolarHBondContact O-CB 3.3Å; E43-K46 PolarHBondContact O-N 2.94Å; E43-K46 IonicContact OE2-NZ 3.58Å; E43-K46 PolarHBondContact OE2-NZ 3.02Å; E43-R47 PolarHBondContact O-N 3.25Å; E43-L117 WeakPolarHBondContact OE1-CA 3.49Å; E43-Q118 HydrophobicContact CG-CB 4.26Å; E43-Q118 PolarHBondContact OE1-N 2.81Å; E43-L120 HydrophobicContact CB-CD2 3.98Å; E43-L120 HydrophobicContact CG-CD2 3.72Å |
| 44 | L | 79.8 | Confident | 69.7 | Low | 64 Ų | 64 | 97 Ų | 97 | 34% | 0.335 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.9 | -40.9 | 170.3 | -76.3 | 173.8 | 0 | 0 | 0 | 112.2 | Y39 D40 R47 L48 L120 | Y39-L44 HydrophobicContact CD2-CD1 4.49Å; Y39-L44 HydrophobicContact CD2-CD2 4.29Å; Y39-L44 HydrophobicContact CG-CD1 4.36Å; Y39-L44 HydrophobicContact CG-CD2 4.03Å; Y39-L44 HydrophobicContact CG-CG 4.36Å; D40-L44 PolarHBondContact O-N 2.87Å; L44-R47 PolarHBondContact O-N 3.13Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.41Å; L44-L48 PolarHBondContact O-N 3.34Å; L44-L120 HydrophobicContact CD2-CD1 4.03Å |
| 45 | R | 81.5 | Confident | 71.8 | Confident | 146 Ų | 146 | 91.1 Ų | 91.1 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 175.1 | -80.2 | 175.2 | 174.1 | -174.9 | -4.2 | 111.5 | R41 K42 E43 R47 L48 N49 | R41-R45 WeakPolarHBondContact O-CG 3.47Å; R41-R45 PolarHBondContact O-N 3.36Å; K42-R45 WeakPolarHBondContact O-CB 3.37Å; K42-R45 PolarHBondContact O-N 3.1Å; E43-R45 PolarHBondContact O-N 3.47Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.42Å; R45-L48 PolarHBondContact O-N 3.5Å; R45-N49 WeakPolarHBondContact O-CB 3.32Å; R45-N49 PolarHBondContact O-N 3.32Å; R45-N49 PolarHBondContact O-ND2 3.38Å |
| 46 | K | 82.8 | Confident | 74.3 | Confident | 95 Ų | 95 | 91.9 Ų | 91.9 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 175.7 | -66.6 | -177.6 | -166.3 | 161.2 | 0 | 111.9 | K42 E43 N49 L50 G116 L117 | K42-K46 PolarHBondContact O-N 3.37Å; K42-K46 VanDerWaalsContact O-N 3.12Å; E43-K46 WeakPolarHBondContact O-CB 3.3Å; E43-K46 PolarHBondContact O-N 2.94Å; E43-K46 IonicContact OE2-NZ 3.58Å; E43-K46 PolarHBondContact OE2-NZ 3.02Å; K46-N49 PolarHBondContact O-N 3.24Å; K46-L50 WeakPolarHBondContact O-CB 3.45Å; K46-L50 PolarHBondContact O-N 3.2Å; K46-G116 PolarHBondContact NZ-O 3.07Å; K46-G116 VanDerWaalsContact NZ-O 3.15Å; K46-L117 HydrophobicContact CB-CD1 4.47Å |
| 47 | R | 79.9 | Confident | 76.2 | Confident | 35 Ų | 35 | 89.1 Ų | 89.1 | 13% | 0.132 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 178.4 | -174.5 | 56.4 | 167.7 | -108.3 | -13.6 | 111.8 | E43 L44 R45 N49 L50 E51 V76 D77 L117 | E43-R47 PolarHBondContact O-N 3.25Å; L44-R47 PolarHBondContact O-N 3.13Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.42Å; R47-N49 PolarHBondContact O-N 2.96Å; R47-L50 WeakPolarHBondContact O-CB 3.32Å; R47-L50 PolarHBondContact O-N 3.1Å; R47-L50 VanDerWaalsContact O-N 3.14Å; R47-E51 WeakPolarHBondContact CG-OE1 3.41Å; R47-E51 IonicContact NE-OE1 2.89Å; R47-E51 PolarHBondContact NE-OE1 2.81Å; R47-E51 WeakPolarHBondContact O-CG 3.41Å; R47-E51 PolarHBondContact O-N 3.45Å; R47-V76 VanDerWaalsContact NH1-CB 3.26Å; R47-D77 IonicContact CZ-OD2 2.89Å; R47-D77 IonicContact NH1-OD2 3.24Å; R47-D77 IonicContact NH2-OD2 3.64Å; R47-D77 PolarHBondContact NH2-OD2 2.96Å; R47-L117 HydrophobicContact CB-CD2 4.45Å |
| 48 | L | 82.6 | Confident | 77.9 | Confident | 98 Ų | 98 | 89.4 Ų | 89.4 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 173.1 | -74.7 | 165.9 | 0 | 0 | 0 | 111.9 | L44 R45 L50 E51 E52 | L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.41Å; L44-L48 PolarHBondContact O-N 3.34Å; R45-L48 PolarHBondContact O-N 3.5Å; L48-L50 PolarHBondContact O-N 3.33Å; L48-E51 PolarHBondContact O-N 3.3Å; L48-E52 WeakPolarHBondContact O-CG 3.33Å; L48-E52 PolarHBondContact O-N 2.99Å |
| 49 | N | 84.8 | Confident | 79 | Confident | 101 Ų | 101 | 83.5 Ų | 83.5 | 54% | 0.54 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.3 | -31.8 | 177 | -82.3 | -102.7 | 0 | 0 | 0 | 112.1 | R45 K46 R47 W53 | R45-N49 WeakPolarHBondContact O-CB 3.32Å; R45-N49 PolarHBondContact O-N 3.32Å; R45-N49 PolarHBondContact O-ND2 3.38Å; K46-N49 PolarHBondContact O-N 3.24Å; R47-N49 PolarHBondContact O-N 2.96Å; N49-W53 WeakPolarHBondContact O-CB 3.39Å; N49-W53 PolarHBondContact O-N 2.83Å; N49-W53 VanDerWaalsContact O-N 3.07Å |
| 50 | L | 83.9 | Confident | 79.8 | Confident | 5 Ų | 5 | 83.7 Ų | 83.7 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.8 | -46.8 | 175.4 | -178.2 | 68.2 | 0 | 0 | 0 | 110.9 | K46 R47 L48 W53 I54 V76 L110 K113 V114 L117 | K46-L50 WeakPolarHBondContact O-CB 3.45Å; K46-L50 PolarHBondContact O-N 3.2Å; R47-L50 WeakPolarHBondContact O-CB 3.32Å; R47-L50 PolarHBondContact O-N 3.1Å; R47-L50 VanDerWaalsContact O-N 3.14Å; L48-L50 PolarHBondContact O-N 3.33Å; L50-W53 HydrophobicContact CD1-CE3 4.07Å; L50-W53 HydrophobicContact CD1-CZ3 4.47Å; L50-W53 PolarHBondContact O-N 3.38Å; L50-I54 HydrophobicContact CD1-CD1 4.4Å; L50-I54 HydrophobicContact CD2-CD1 4.49Å; L50-I54 HydrophobicContact CG-CD1 3.93Å; L50-I54 HydrophobicContact CG-CG1 4.48Å; L50-I54 WeakPolarHBondContact O-CB 3.32Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.21Å; L50-I54 PolarHBondContact O-N 3.05Å; L50-V76 HydrophobicContact CD2-CB 4.5Å; L50-V76 HydrophobicContact CD2-CG1 3.87Å; L50-V76 HydrophobicContact CD2-CG2 3.78Å; L50-L110 HydrophobicContact CD1-CD1 4.05Å; L50-K113 HydrophobicContact CD1-CB 3.41Å; L50-K113 VanDerWaalsContact CD1-CB 3.41Å; L50-K113 HydrophobicContact CD1-CG 4.05Å; L50-V114 HydrophobicContact CD2-CG2 4.25Å; L50-L117 HydrophobicContact CD2-CD1 4.09Å; L50-L117 HydrophobicContact CD2-CD2 3.54Å; L50-L117 HydrophobicContact CD2-CG 4.48Å |
| 51 | E | 81.2 | Confident | 79.9 | Confident | 86 Ų | 86 | 79.9 Ų | 79.9 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 179 | -73 | 172.6 | -158.5 | 0 | 0 | 111.3 | R47 L48 W53 I54 I55 | R47-E51 WeakPolarHBondContact CG-OE1 3.41Å; R47-E51 IonicContact NE-OE1 2.89Å; R47-E51 PolarHBondContact NE-OE1 2.81Å; R47-E51 WeakPolarHBondContact O-CG 3.41Å; R47-E51 PolarHBondContact O-N 3.45Å; L48-E51 PolarHBondContact O-N 3.3Å; E51-W53 VanDerWaalsContact C-N 3.34Å; E51-W53 PolarHBondContact O-N 3.01Å; E51-I54 PolarHBondContact O-N 3.49Å; E51-I55 VanDerWaalsContact O-CG1 3.31Å; E51-I55 WeakPolarHBondContact O-CG1 3.26Å; E51-I55 PolarHBondContact O-N 3.01Å |
| 52 | E | 83 | Confident | 79.5 | Confident | 118 Ų | 118 | 72.6 Ų | 72.6 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -57.5 | -47.3 | 173.5 | -72.8 | 176.3 | 143.8 | 0 | 0 | 111.2 | L48 I54 I55 E56 | L48-E52 WeakPolarHBondContact O-CG 3.33Å; L48-E52 PolarHBondContact O-N 2.99Å; E52-I54 PolarHBondContact O-N 2.9Å; E52-I55 PolarHBondContact O-N 2.79Å; E52-E56 WeakPolarHBondContact O-CG 3.41Å; E52-E56 PolarHBondContact O-N 2.81Å |
| 53 | W | 87 | Confident | 78.7 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 178.6 | 174.5 | 74.2 | 0 | 0 | 0 | 113 | N49 L50 E51 I55 E56 Q57 F106 A109 L110 | N49-W53 WeakPolarHBondContact O-CB 3.39Å; N49-W53 PolarHBondContact O-N 2.83Å; N49-W53 VanDerWaalsContact O-N 3.07Å; L50-W53 HydrophobicContact CD1-CE3 4.07Å; L50-W53 HydrophobicContact CD1-CZ3 4.47Å; L50-W53 PolarHBondContact O-N 3.38Å; E51-W53 VanDerWaalsContact C-N 3.34Å; E51-W53 PolarHBondContact O-N 3.01Å; W53-I55 VanDerWaalsContact C-N 3.32Å; W53-E56 PolarHBondContact O-N 3.32Å; W53-Q57 HydrophobicContact CD2-CG 4.03Å; W53-Q57 HydrophobicContact CG-CG 4.41Å; W53-Q57 HydrophobicContact CH2-CG 4.25Å; W53-Q57 HydrophobicContact CZ2-CG 3.55Å; W53-Q57 WeakPolarHBondContact O-CB 3.3Å; W53-Q57 WeakPolarHBondContact O-CG 3.5Å; W53-Q57 PolarHBondContact O-N 2.73Å; W53-F106 AromaticContact CH2-CD2 3.88Å; W53-F106 HydrophobicContact CH2-CD2 3.88Å; W53-F106 AromaticContact CH2-CE2 3.98Å; W53-F106 HydrophobicContact CH2-CE2 3.98Å; W53-F106 HydrophobicContact CZ2-CD2 4.44Å; W53-F106 HydrophobicContact CZ3-CD2 4.34Å; W53-F106 AromaticContact CZ3-CE2 3.95Å; W53-F106 HydrophobicContact CZ3-CE2 3.95Å; W53-A109 HydrophobicContact CH2-CB 3.56Å; W53-A109 HydrophobicContact CZ2-CB 3.48Å; W53-A109 VanDerWaalsContact CZ2-CB 3.48Å; W53-L110 HydrophobicContact CH2-CB 4.07Å; W53-L110 HydrophobicContact CZ3-CB 3.88Å; W53-L110 HydrophobicContact CZ3-CD1 4Å |
| 54 | I | 81.5 | Confident | 77.4 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 174.9 | -74.5 | 166.4 | 0 | 0 | 0 | 109.7 | L50 E51 E52 Q57 L58 I74 V76 F106 L110 | L50-I54 HydrophobicContact CD1-CD1 4.4Å; L50-I54 HydrophobicContact CD2-CD1 4.49Å; L50-I54 HydrophobicContact CG-CD1 3.93Å; L50-I54 HydrophobicContact CG-CG1 4.48Å; L50-I54 WeakPolarHBondContact O-CB 3.32Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.21Å; L50-I54 PolarHBondContact O-N 3.05Å; E51-I54 PolarHBondContact O-N 3.49Å; E52-I54 PolarHBondContact O-N 2.9Å; I54-Q57 PolarHBondContact O-N 3.45Å; I54-L58 HydrophobicContact CG2-CD1 3.77Å; I54-L58 HydrophobicContact CG2-CG 4.33Å; I54-L58 WeakPolarHBondContact O-CB 3.5Å; I54-L58 VanDerWaalsContact O-CG 3.23Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 3.46Å; I54-I74 HydrophobicContact CG2-CD1 3.91Å; I54-V76 HydrophobicContact CD1-CG2 4.49Å; I54-F106 HydrophobicContact CG1-CZ 4.41Å; I54-F106 HydrophobicContact CG2-CZ 4.3Å; I54-L110 HydrophobicContact CD1-CD1 3.7Å; I54-L110 HydrophobicContact CG1-CD1 3.89Å |
| 55 | I | 79.1 | Confident | 75.8 | Confident | 107 Ų | 107 | 79.5 Ų | 79.5 | 55% | 0.549 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 179.6 | -65.5 | 163.8 | 0 | 0 | 0 | 110.8 | E51 E52 W53 Q57 L58 T59 | E51-I55 VanDerWaalsContact O-CG1 3.31Å; E51-I55 WeakPolarHBondContact O-CG1 3.26Å; E51-I55 PolarHBondContact O-N 3.01Å; E52-I55 PolarHBondContact O-N 2.79Å; W53-I55 VanDerWaalsContact C-N 3.32Å; I55-Q57 PolarHBondContact O-N 3.06Å; I55-L58 PolarHBondContact O-N 2.76Å; I55-T59 WeakPolarHBondContact O-CB 3.34Å; I55-T59 PolarHBondContact O-N 3.35Å; I55-T59 PolarHBondContact O-OG1 3.47Å |
| 56 | E | 81.4 | Confident | 74.2 | Confident | 124 Ų | 124 | 81.4 Ų | 81.4 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -57.9 | -49.6 | 176.8 | -74.2 | -178.4 | 150.4 | 0 | 0 | 111.2 | E52 W53 L58 T59 D60 | E52-E56 WeakPolarHBondContact O-CG 3.41Å; E52-E56 PolarHBondContact O-N 2.81Å; W53-E56 PolarHBondContact O-N 3.32Å; E56-L58 VanDerWaalsContact C-N 3.35Å; E56-L58 PolarHBondContact O-N 3.33Å; E56-T59 WeakPolarHBondContact O-CB 3.05Å; E56-T59 PolarHBondContact O-N 2.85Å; E56-T59 VanDerWaalsContact O-N 3.16Å; E56-D60 PolarHBondContact O-N 3.4Å |
| 57 | Q | 81.4 | Confident | 72.4 | Confident | 59 Ų | 59 | 85.8 Ų | 85.8 | 28% | 0.276 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 178.9 | -75.7 | -62.8 | 139.7 | 0 | 0 | 113.2 | W53 I54 I55 T59 L61 F106 | W53-Q57 HydrophobicContact CD2-CG 4.03Å; W53-Q57 HydrophobicContact CG-CG 4.41Å; W53-Q57 HydrophobicContact CH2-CG 4.25Å; W53-Q57 HydrophobicContact CZ2-CG 3.55Å; W53-Q57 WeakPolarHBondContact O-CB 3.3Å; W53-Q57 WeakPolarHBondContact O-CG 3.5Å; W53-Q57 PolarHBondContact O-N 2.73Å; I54-Q57 PolarHBondContact O-N 3.45Å; I55-Q57 PolarHBondContact O-N 3.06Å; Q57-T59 VanDerWaalsContact C-N 3.32Å; Q57-L61 WeakPolarHBondContact O-CB 3.47Å; Q57-L61 PolarHBondContact O-N 3.37Å; Q57-F106 HydrophobicContact CB-CD2 3.53Å; Q57-F106 HydrophobicContact CB-CE2 3.68Å; Q57-F106 HydrophobicContact CG-CD2 4Å; Q57-F106 HydrophobicContact CG-CE2 4.32Å |
| 58 | L | 76 | Confident | 70.8 | Confident | 16 Ų | 16 | 91.2 Ų | 91.2 | 8% | 0.084 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 174.6 | -76.8 | 173.5 | 0 | 0 | 0 | 110.8 | I54 I55 E56 L61 Y62 L72 L96 | I54-L58 HydrophobicContact CG2-CD1 3.77Å; I54-L58 HydrophobicContact CG2-CG 4.33Å; I54-L58 WeakPolarHBondContact O-CB 3.5Å; I54-L58 VanDerWaalsContact O-CG 3.23Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 3.46Å; I55-L58 PolarHBondContact O-N 2.76Å; E56-L58 VanDerWaalsContact C-N 3.35Å; E56-L58 PolarHBondContact O-N 3.33Å; L58-L61 PolarHBondContact O-N 2.89Å; L58-Y62 HydrophobicContact CD2-CD2 4.4Å; L58-Y62 HydrophobicContact CD2-CE2 4.1Å; L58-Y62 WeakPolarHBondContact O-CB 3.36Å; L58-Y62 WeakPolarHBondContact O-CD2 3.48Å; L58-Y62 PolarHBondContact O-N 3.46Å; L58-L72 HydrophobicContact CD2-CD2 4.27Å; L58-L96 HydrophobicContact CD2-CD2 3.61Å |
| 59 | T | 74.8 | Confident | 69.4 | Low | 81 Ų | 81 | 89.8 Ų | 89.8 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | I55 E56 Q57 L61 Y62 D63 | I55-T59 WeakPolarHBondContact O-CB 3.34Å; I55-T59 PolarHBondContact O-N 3.35Å; I55-T59 PolarHBondContact O-OG1 3.47Å; E56-T59 WeakPolarHBondContact O-CB 3.05Å; E56-T59 PolarHBondContact O-N 2.85Å; E56-T59 VanDerWaalsContact O-N 3.16Å; Q57-T59 VanDerWaalsContact C-N 3.32Å; T59-L61 VanDerWaalsContact C-N 3.34Å; T59-L61 PolarHBondContact O-N 3.31Å; T59-Y62 PolarHBondContact O-N 3.05Å; T59-D63 PolarHBondContact O-N 2.89Å |
| 60 | D | 75.6 | Confident | 68.1 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 59% | 0.594 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.1 | -37.5 | 175 | -84.6 | -52.1 | 0 | 0 | 0 | 112.8 | E56 K101 | E56-D60 PolarHBondContact O-N 3.4Å; D60-K101 PolarHBondContact O-NZ 2.91Å |
| 61 | L | 71.6 | Confident | 66.9 | Low | 20 Ų | 20 | 97 Ų | 97 | 11% | 0.105 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 179.4 | -115.2 | 79.1 | 0 | 0 | 0 | 111.8 | Q57 L58 T59 K101 T103 F106 | Q57-L61 WeakPolarHBondContact O-CB 3.47Å; Q57-L61 PolarHBondContact O-N 3.37Å; L58-L61 PolarHBondContact O-N 2.89Å; T59-L61 VanDerWaalsContact C-N 3.34Å; T59-L61 PolarHBondContact O-N 3.31Å; L61-K101 HydrophobicContact CG-CB 4.34Å; L61-K101 WeakPolarHBondContact O-CD 3.44Å; L61-K101 WeakPolarHBondContact O-CE 3.19Å; L61-K101 WeakPolarHBondContact O-CG 3.31Å; L61-K101 PolarHBondContact O-NZ 3.21Å; L61-T103 HydrophobicContact CD2-CG2 3.55Å; L61-F106 HydrophobicContact CD1-CB 4.49Å |
| 62 | Y | 66.3 | Low | 66.1 | Low | 29 Ų | 29 | 94.6 Ų | 94.6 | 11% | 0.114 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -83.6 | -29.3 | -174.1 | -82.4 | -90.9 | 0 | 0 | 0 | 112.9 | L58 T59 C64 L96 C99 | L58-Y62 HydrophobicContact CD2-CD2 4.4Å; L58-Y62 HydrophobicContact CD2-CE2 4.1Å; L58-Y62 WeakPolarHBondContact O-CB 3.36Å; L58-Y62 WeakPolarHBondContact O-CD2 3.48Å; L58-Y62 PolarHBondContact O-N 3.46Å; T59-Y62 PolarHBondContact O-N 3.05Å; Y62-C64 VanDerWaalsContact O-CB 3.3Å; Y62-C64 WeakPolarHBondContact O-CB 3.35Å; Y62-C64 PolarHBondContact O-N 3.32Å; Y62-C64 PolarHBondContact O-SG 3.45Å; Y62-C64 VanDerWaalsContact O-SG 3.32Å; Y62-L96 HydrophobicContact CE2-CD2 4.49Å; Y62-C99 HydrophobicContact CE1-CB 4.32Å; Y62-C99 HydrophobicContact CE2-CB 4.09Å; Y62-C99 WeakPolarHBondContact OH-CB 3.34Å; Y62-C99 PolarHBondContact OH-N 3.14Å |
| 63 | D | 61.4 | Low | 65.6 | Low | 130 Ų | 130 | 95.9 Ų | 95.9 | 70% | 0.695 | 48% | 0.477 | S | S | * | . | trans | 48.4 | 22.1 | 171.3 | -152.8 | 21.1 | 0 | 0 | 0 | 114.2 | T59 K101 | T59-D63 PolarHBondContact O-N 2.89Å; D63-K101 VanDerWaalsContact CB-NZ 3.3Å; D63-K101 IonicContact OD2-NZ 3.36Å; D63-K101 PolarHBondContact OD2-NZ 2.9Å | ||
| 64 | C | 50.9 | Low | 65.2 | Low | 80 Ų | 80 | 95 Ų | 95 | 54% | 0.541 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -134.8 | 150.5 | -170.1 | -78 | 0 | 0 | 0 | 0 | 109.7 | Y62 | Y62-C64 VanDerWaalsContact O-CB 3.3Å; Y62-C64 WeakPolarHBondContact O-CB 3.35Å; Y62-C64 PolarHBondContact O-N 3.32Å; Y62-C64 PolarHBondContact O-SG 3.45Å; Y62-C64 VanDerWaalsContact O-SG 3.32Å |
| 65 | E | 44.8 | Very low | 65.2 | Low | 175 Ų | 175 | 97.8 Ų | 97.8 | 82% | 0.818 | 49% | 0.49 | S | S | * | . | trans | -51.8 | 142.5 | 179.7 | -70.8 | 175 | 91 | 0 | 0 | 111.1 | E67 | E65-E67 PolarHBondContact O-N 2.88Š| ||
| 66 | E | 49.1 | Very low | 65.3 | Low | 185 Ų | 185 | 92.8 Ų | 92.8 | 86% | 0.864 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.6 | -6.6 | -174.6 | -159.2 | 173.1 | 108.9 | 0 | 0 | 117.1 | ||
| 67 | E | 44.5 | Very low | 65.3 | Low | 187 Ų | 187 | 89.5 Ų | 89.5 | 87% | 0.874 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -16.8 | -171.3 | -125.9 | 176.8 | 164 | 0 | 0 | 115.2 | E65 | E65-E67 PolarHBondContact O-N 2.88Š|
| 68 | E | 45.4 | Very low | 65.4 | Low | 150 Ų | 150 | 89.8 Ų | 89.8 | 70% | 0.701 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -111.3 | -2.6 | 179.9 | -85.6 | -172.4 | 159.6 | 0 | 0 | 114.6 | P70 | E68-P70 WeakPolarHBondContact O-CD 3.03Å; E68-P70 VanDerWaalsContact O-N 3.16Å |
| 69 | I | 53.2 | Low | 65.8 | Low | 68 Ų | 68 | 89.1 Ų | 89.1 | 35% | 0.349 | 45% | 0.449 | S | S | . | . | trans | -72.2 | 108.1 | 172.6 | -56.5 | 176.2 | 0 | 0 | 0 | 106.3 | ||||
| 70 | P | 57.5 | Low | 66.2 | Low | 52 Ų | 52 | 86.8 Ų | 86.8 | 34% | 0.338 | 43% | 0.433 | S | S | . | . | trans | -59.1 | 158.7 | 174.3 | -13.1 | 29.1 | 0 | 0 | 0 | 108.4 | E68 L72 | E68-P70 WeakPolarHBondContact O-CD 3.03Å; E68-P70 VanDerWaalsContact O-N 3.16Å; P70-L72 PolarHBondContact O-N 3.16Å | ||
| 71 | E | 59.4 | Low | 66.5 | Low | 205 Ų | 205 | 86.4 Ų | 86.4 | 96% | 0.958 | 43% | 0.431 | S | S | * | . | trans | -63 | 77.6 | 168.3 | -71.3 | 179.5 | 92.1 | 0 | 0 | 109.7 | E73 | E71-E73 PolarHBondContact O-N 3.27Š| ||
| 72 | L | 65.3 | Low | 67.1 | Low | 35 Ų | 35 | 87.1 Ų | 87.1 | 18% | 0.183 | 43% | 0.434 | C | S | . | . | trans | -89.4 | 90 | -173.1 | -157.9 | 83.4 | 0 | 0 | 0 | 109 | L58 P70 I74 L95 L96 | L58-L72 HydrophobicContact CD2-CD2 4.27Å; P70-L72 PolarHBondContact O-N 3.16Å; L72-I74 HydrophobicContact CD2-CG1 4.42Å; L72-I74 PolarHBondContact O-N 3.31Å; L72-L95 HydrophobicContact CD1-CB 3.85Å; L72-L95 HydrophobicContact CD1-CD2 4.2Å; L72-L95 WeakPolarHBondContact CD1-O 3.06Å; L72-L95 HydrophobicContact CD2-CB 4.25Å; L72-L95 HydrophobicContact CG-CB 4.18Å; L72-L96 HydrophobicContact CD2-CD2 3.69Å; L72-L96 HydrophobicContact CD2-CG 4.4Å | ||
| 73 | E | 71.9 | Confident | 67.7 | Low | 146 Ų | 146 | 91.1 Ų | 91.1 | 68% | 0.682 | 46% | 0.464 | S | S | * | . | trans | -85.6 | 107.6 | 175.4 | -165.6 | 168.7 | -172.3 | 0 | 0 | 109.9 | E71 D75 | E71-E73 PolarHBondContact O-N 3.27Å; E73-D75 PolarHBondContact O-N 3.42Å | ||
| 74 | I | 78.6 | Confident | 69 | Low | 21 Ų | 21 | 88.1 Ų | 88.1 | 11% | 0.108 | 45% | 0.451 | C | S | . | . | trans | -87.3 | 99.1 | 171.6 | -57.9 | -178.7 | 0 | 0 | 0 | 108.4 | I54 L72 V76 L79 L95 F106 L110 | I54-I74 HydrophobicContact CG2-CD1 3.91Å; L72-I74 HydrophobicContact CD2-CG1 4.42Å; L72-I74 PolarHBondContact O-N 3.31Å; I74-V76 PolarHBondContact O-N 2.67Å; I74-L79 HydrophobicContact CG2-CD1 3.75Å; I74-L95 HydrophobicContact CG1-CD1 4.21Å; I74-F106 HydrophobicContact CD1-CE1 4.2Å; I74-F106 HydrophobicContact CD1-CZ 4.01Å; I74-L110 HydrophobicContact CD1-CD2 4.29Å; I74-L110 HydrophobicContact CG2-CD2 4.27Å | ||
| 75 | D | 80.5 | Confident | 70.7 | Confident | 73 Ų | 73 | 87.5 Ų | 87.5 | 39% | 0.39 | 44% | 0.442 | S | S | . | . | trans | -69.3 | 93.4 | 174 | -77.7 | -65.8 | 0 | 0 | 0 | 111.7 | E73 D77 E78 L79 | E73-D75 PolarHBondContact O-N 3.42Å; D75-D77 PolarHBondContact O-N 2.93Å; D75-E78 HydrophobicContact CB-CB 3.63Å; D75-E78 WeakPolarHBondContact O-CB 3.32Å; D75-E78 PolarHBondContact O-N 3.17Å; D75-E78 VanDerWaalsContact O-N 3.09Å; D75-L79 PolarHBondContact O-N 3.4Å | ||
| 76 | V | 81.8 | Confident | 72.8 | Confident | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.012 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.5 | -27.8 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | R47 L50 I54 I74 L79 L80 V114 L117 | R47-V76 VanDerWaalsContact NH1-CB 3.26Å; L50-V76 HydrophobicContact CD2-CB 4.5Å; L50-V76 HydrophobicContact CD2-CG1 3.87Å; L50-V76 HydrophobicContact CD2-CG2 3.78Å; I54-V76 HydrophobicContact CD1-CG2 4.49Å; I74-V76 PolarHBondContact O-N 2.67Å; V76-L79 PolarHBondContact O-N 2.93Å; V76-L80 HydrophobicContact CG1-CD1 4.29Å; V76-L80 HydrophobicContact CG1-CG 4.45Å; V76-L80 WeakPolarHBondContact O-CB 3.47Å; V76-L80 VanDerWaalsContact O-CG 3.3Å; V76-L80 WeakPolarHBondContact O-CG 3.46Å; V76-L80 PolarHBondContact O-N 3.34Å; V76-V114 HydrophobicContact CG1-CG2 4.21Å; V76-L117 HydrophobicContact CG1-CD2 3.93Å |
| 77 | D | 80.6 | Confident | 74.6 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 173.2 | -70.8 | -74.3 | 0 | 0 | 0 | 112.1 | R47 D75 L80 D81 | R47-D77 IonicContact CZ-OD2 2.89Å; R47-D77 IonicContact NH1-OD2 3.24Å; R47-D77 IonicContact NH2-OD2 3.64Å; R47-D77 PolarHBondContact NH2-OD2 2.96Å; D75-D77 PolarHBondContact O-N 2.93Å; D77-L80 PolarHBondContact O-N 3.47Å; D77-D81 PolarHBondContact O-N 3.09Å |
| 78 | E | 83.8 | Confident | 76.7 | Confident | 64 Ų | 64 | 69 Ų | 69 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 171.5 | -162.7 | -163.9 | 141.9 | 0 | 0 | 110.3 | D75 L80 D81 M82 R91 | D75-E78 HydrophobicContact CB-CB 3.63Å; D75-E78 WeakPolarHBondContact O-CB 3.32Å; D75-E78 PolarHBondContact O-N 3.17Å; D75-E78 VanDerWaalsContact O-N 3.09Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.33Å; E78-D81 PolarHBondContact O-N 2.88Å; E78-D81 VanDerWaalsContact O-N 3.16Å; E78-M82 HydrophobicContact CG-CE 4.1Å; E78-M82 WeakPolarHBondContact O-CG 3.26Å; E78-M82 PolarHBondContact O-N 2.9Å; E78-M82 WeakPolarHBondContact OE1-CE 3.08Å; E78-R91 IonicContact OE1-CZ 2.61Å; E78-R91 IonicContact OE1-NE 3.7Å; E78-R91 PolarHBondContact OE1-NE 3.16Å; E78-R91 IonicContact OE1-NH2 2.68Å; E78-R91 PolarHBondContact OE1-NH2 3Å; E78-R91 IonicContact OE2-CZ 3.81Å; E78-R91 IonicContact OE2-NE 2.87Å; E78-R91 PolarHBondContact OE2-NE 2.89Å; E78-R91 IonicContact OE2-NH2 3.47Å; E78-R91 PolarHBondContact OE2-NH2 2.76Å |
| 79 | L | 84.3 | Confident | 78.7 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.7 | -39 | 175.9 | -61.8 | -179.9 | 0 | 0 | 0 | 112 | I74 D75 V76 D81 M82 R88 R91 V92 L110 V114 | I74-L79 HydrophobicContact CG2-CD1 3.75Å; D75-L79 PolarHBondContact O-N 3.4Å; V76-L79 PolarHBondContact O-N 2.93Å; L79-D81 VanDerWaalsContact C-N 3.33Å; L79-M82 PolarHBondContact O-N 3.38Å; L79-R88 HydrophobicContact CB-CG 4.4Å; L79-R88 HydrophobicContact CD2-CB 4.1Å; L79-R88 HydrophobicContact CD2-CG 4.39Å; L79-R88 WeakPolarHBondContact O-CD 3.32Å; L79-R88 WeakPolarHBondContact O-CG 3.34Å; L79-R88 PolarHBondContact O-NE 3.05Å; L79-R91 HydrophobicContact CD2-CB 4.23Å; L79-R91 HydrophobicContact CD2-CG 4.34Å; L79-V92 HydrophobicContact CD1-CG2 3.99Å; L79-V92 HydrophobicContact CD2-CG2 3.94Å; L79-L110 HydrophobicContact CD1-CD2 4.27Å; L79-V114 HydrophobicContact CB-CG1 4.19Å; L79-V114 HydrophobicContact CD1-CG2 4.26Å |
| 80 | L | 82.9 | Confident | 80.4 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.5 | -30.3 | 176.3 | -75.4 | 171.3 | 0 | 0 | 0 | 112.8 | V76 D77 E78 M82 V114 L117 K119 | V76-L80 HydrophobicContact CG1-CD1 4.29Å; V76-L80 HydrophobicContact CG1-CG 4.45Å; V76-L80 WeakPolarHBondContact O-CB 3.47Å; V76-L80 VanDerWaalsContact O-CG 3.3Å; V76-L80 WeakPolarHBondContact O-CG 3.46Å; V76-L80 PolarHBondContact O-N 3.34Å; D77-L80 PolarHBondContact O-N 3.47Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.33Å; L80-M82 VanDerWaalsContact C-N 3.31Å; L80-V114 HydrophobicContact CD2-CG1 3.72Å; L80-V114 WeakPolarHBondContact CD2-O 3.24Å; L80-V114 HydrophobicContact CG-CG1 4.03Å; L80-L117 HydrophobicContact CD1-CB 4.44Å; L80-L117 HydrophobicContact CD2-CB 4.43Å; L80-K119 HydrophobicContact CD1-CB 4.29Å |
| 81 | D | 83.5 | Confident | 81.8 | Confident | 104 Ų | 104 | 64.4 Ų | 64.4 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -72.7 | -24.4 | 175 | -83.2 | -38 | 0 | 0 | 0 | 113.1 | D77 E78 L79 K119 | D77-D81 PolarHBondContact O-N 3.09Å; E78-D81 PolarHBondContact O-N 2.88Å; E78-D81 VanDerWaalsContact O-N 3.16Å; L79-D81 VanDerWaalsContact C-N 3.33Å; D81-K119 IonicContact OD1-NZ 2.73Å; D81-K119 PolarHBondContact OD1-NZ 2.87Å; D81-K119 IonicContact OD2-NZ 3.52Å; D81-K119 PolarHBondContact OD2-NZ 3.42Å |
| 82 | M | 84 | Confident | 82.9 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 17% | 0.167 | 30% | 0.302 | C | S | . | . | trans | -71.2 | 131.5 | 174.8 | -67.2 | -178 | -172.5 | 0 | 0 | 111 | E78 L79 L80 D87 R88 R91 | E78-M82 HydrophobicContact CG-CE 4.1Å; E78-M82 WeakPolarHBondContact O-CG 3.26Å; E78-M82 PolarHBondContact O-N 2.9Å; E78-M82 WeakPolarHBondContact OE1-CE 3.08Å; L79-M82 PolarHBondContact O-N 3.38Å; L80-M82 VanDerWaalsContact C-N 3.31Å; M82-D87 HydrophobicContact CB-CB 4.38Å; M82-D87 HydrophobicContact CG-CB 4.46Å; M82-D87 VanDerWaalsContact SD-C 3.59Å; M82-D87 HydrophobicContact SD-CB 3.95Å; M82-R88 HydrophobicContact CB-CG 3.62Å; M82-R88 HydrophobicContact CG-CG 4.44Å; M82-R88 VanDerWaalsContact O-CZ 3.29Å; M82-R88 PolarHBondContact O-NE 3.05Å; M82-R88 PolarHBondContact O-NH2 2.97Å; M82-R88 HydrophobicContact SD-CG 4.17Å; M82-R91 HydrophobicContact CE-CB 3.85Å; M82-R91 HydrophobicContact CE-CG 3.8Å; M82-R91 HydrophobicContact SD-CB 4.17Å | ||
| 83 | P | 79.4 | Confident | 83.8 | Confident | 114 Ų | 114 | 57.1 Ų | 57.1 | 74% | 0.74 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -81.4 | -22.5 | -175.1 | 30.7 | -34.6 | 0 | 0 | 0 | 113.7 | ||
| 84 | T | 87.2 | Confident | 84.3 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -117.2 | 144.2 | -178.3 | 76 | 0 | 0 | 0 | 0 | 112.3 | G86 D87 R88 | T84-G86 PolarHBondContact O-N 3.28Å; T84-D87 PolarHBondContact O-N 3.32Å; T84-D87 PolarHBondContact OG1-N 3.01Å; T84-D87 PolarHBondContact OG1-OD2 3.15Å; T84-R88 WeakPolarHBondContact O-CG 3.27Å; T84-R88 PolarHBondContact O-N 3.33Å |
| 85 | D | 87.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.3 | -24.6 | 174.8 | -66.6 | -36.9 | 0 | 0 | 0 | 112.2 | R88 A89 L111 | D85-R88 IonicContact OD1-CZ 3.37Å; D85-R88 IonicContact OD1-NH1 2.88Å; D85-R88 PolarHBondContact OD1-NH1 3.44Å; D85-A89 VanDerWaalsContact O-CB 3.3Å; D85-A89 WeakPolarHBondContact O-CB 3.36Å; D85-A89 PolarHBondContact O-N 3.4Å; D85-L111 HydrophobicContact CB-CD1 4.21Å |
| 86 | G | 88 | Confident | 84.1 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 46% | 0.464 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T84 A89 S90 | T84-G86 PolarHBondContact O-N 3.28Å; G86-A89 PolarHBondContact O-N 3.25Å; G86-S90 WeakPolarHBondContact O-CB 3.36Å; G86-S90 PolarHBondContact O-N 2.63Å; G86-S90 PolarHBondContact O-OG 3.07Å |
| 87 | D | 88.1 | Confident | 83.6 | Confident | 82 Ų | 82 | 57.3 Ų | 57.3 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 176.3 | -64.3 | -42.7 | 0 | 0 | 0 | 110.5 | M82 T84 A89 S90 R91 | M82-D87 HydrophobicContact CB-CB 4.38Å; M82-D87 HydrophobicContact CG-CB 4.46Å; M82-D87 VanDerWaalsContact SD-C 3.59Å; M82-D87 HydrophobicContact SD-CB 3.95Å; T84-D87 PolarHBondContact O-N 3.32Å; T84-D87 PolarHBondContact OG1-N 3.01Å; T84-D87 PolarHBondContact OG1-OD2 3.15Å; D87-A89 PolarHBondContact O-N 2.92Å; D87-S90 WeakPolarHBondContact O-CB 3.47Å; D87-S90 PolarHBondContact O-N 3.24Å; D87-R91 PolarHBondContact O-N 2.93Å |
| 88 | R | 88.9 | Confident | 82.9 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 175.7 | -64.8 | 171.9 | -174.9 | 169.7 | -6.1 | 111.7 | L79 M82 T84 D85 S90 R91 V92 L111 | L79-R88 HydrophobicContact CB-CG 4.4Å; L79-R88 HydrophobicContact CD2-CB 4.1Å; L79-R88 HydrophobicContact CD2-CG 4.39Å; L79-R88 WeakPolarHBondContact O-CD 3.32Å; L79-R88 WeakPolarHBondContact O-CG 3.34Å; L79-R88 PolarHBondContact O-NE 3.05Å; M82-R88 HydrophobicContact CB-CG 3.62Å; M82-R88 HydrophobicContact CG-CG 4.44Å; M82-R88 VanDerWaalsContact O-CZ 3.29Å; M82-R88 PolarHBondContact O-NE 3.05Å; M82-R88 PolarHBondContact O-NH2 2.97Å; M82-R88 HydrophobicContact SD-CG 4.17Å; T84-R88 WeakPolarHBondContact O-CG 3.27Å; T84-R88 PolarHBondContact O-N 3.33Å; D85-R88 IonicContact OD1-CZ 3.37Å; D85-R88 IonicContact OD1-NH1 2.88Å; D85-R88 PolarHBondContact OD1-NH1 3.44Å; R88-S90 VanDerWaalsContact C-N 3.31Å; R88-S90 PolarHBondContact O-N 3.45Å; R88-R91 PolarHBondContact O-N 2.68Å; R88-V92 WeakPolarHBondContact O-CG2 3.23Å; R88-V92 PolarHBondContact O-N 2.84Å; R88-V92 VanDerWaalsContact O-N 3.1Å; R88-L111 HydrophobicContact CB-CD2 3.21Å; R88-L111 HydrophobicContact CG-CD2 4.14Å |
| 89 | A | 86.9 | Confident | 82.2 | Confident | 16 Ų | 16 | 57 Ų | 57 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.2 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D85 G86 D87 R91 V92 K93 V107 L111 | D85-A89 VanDerWaalsContact O-CB 3.3Å; D85-A89 WeakPolarHBondContact O-CB 3.36Å; D85-A89 PolarHBondContact O-N 3.4Å; G86-A89 PolarHBondContact O-N 3.25Å; D87-A89 PolarHBondContact O-N 2.92Å; A89-R91 VanDerWaalsContact C-N 3.33Å; A89-R91 PolarHBondContact O-N 2.61Å; A89-V92 PolarHBondContact O-N 3.23Å; A89-K93 WeakPolarHBondContact O-CB 3.38Å; A89-K93 VanDerWaalsContact O-CG 3.3Å; A89-K93 WeakPolarHBondContact O-CG 3.17Å; A89-K93 PolarHBondContact O-N 3.26Å; A89-V107 HydrophobicContact CB-CG1 3.57Å; A89-L111 HydrophobicContact CB-CD1 3.99Å |
| 90 | S | 88.5 | Confident | 81.3 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 48% | 0.483 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | -179.4 | -59.4 | 0 | 0 | 0 | 0 | 111 | G86 D87 R88 V92 K93 V94 | G86-S90 WeakPolarHBondContact O-CB 3.36Å; G86-S90 PolarHBondContact O-N 2.63Å; G86-S90 PolarHBondContact O-OG 3.07Å; D87-S90 WeakPolarHBondContact O-CB 3.47Å; D87-S90 PolarHBondContact O-N 3.24Å; R88-S90 VanDerWaalsContact C-N 3.31Å; R88-S90 PolarHBondContact O-N 3.45Å; S90-V92 PolarHBondContact O-N 3.44Å; S90-K93 PolarHBondContact O-N 2.73Å; S90-V94 VanDerWaalsContact O-CG2 3.32Å; S90-V94 WeakPolarHBondContact O-CG2 3.42Å; S90-V94 PolarHBondContact O-N 3.48Å |
| 91 | R | 86.1 | Confident | 80.8 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 177.5 | -171.5 | 59.8 | 164.7 | 131.7 | 8.6 | 112.2 | E78 L79 M82 D87 R88 A89 V94 L95 | E78-R91 IonicContact OE1-CZ 2.61Å; E78-R91 IonicContact OE1-NE 3.7Å; E78-R91 PolarHBondContact OE1-NE 3.16Å; E78-R91 IonicContact OE1-NH2 2.68Å; E78-R91 PolarHBondContact OE1-NH2 3Å; E78-R91 IonicContact OE2-CZ 3.81Å; E78-R91 IonicContact OE2-NE 2.87Å; E78-R91 PolarHBondContact OE2-NE 2.89Å; E78-R91 IonicContact OE2-NH2 3.47Å; E78-R91 PolarHBondContact OE2-NH2 2.76Å; L79-R91 HydrophobicContact CD2-CB 4.23Å; L79-R91 HydrophobicContact CD2-CG 4.34Å; M82-R91 HydrophobicContact CE-CB 3.85Å; M82-R91 HydrophobicContact CE-CG 3.8Å; M82-R91 HydrophobicContact SD-CB 4.17Å; D87-R91 PolarHBondContact O-N 2.93Å; R88-R91 PolarHBondContact O-N 2.68Å; A89-R91 VanDerWaalsContact C-N 3.33Å; A89-R91 PolarHBondContact O-N 2.61Å; R91-V94 PolarHBondContact O-N 3.39Å; R91-L95 WeakPolarHBondContact O-CG 3.24Å; R91-L95 PolarHBondContact O-N 3.06Å; R91-L95 VanDerWaalsContact O-N 3.13Å |
| 92 | V | 84.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.4 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | L79 R88 A89 S90 V94 L95 L96 F106 V107 L110 | L79-V92 HydrophobicContact CD1-CG2 3.99Å; L79-V92 HydrophobicContact CD2-CG2 3.94Å; R88-V92 WeakPolarHBondContact O-CG2 3.23Å; R88-V92 PolarHBondContact O-N 2.84Å; R88-V92 VanDerWaalsContact O-N 3.1Å; A89-V92 PolarHBondContact O-N 3.23Å; S90-V92 PolarHBondContact O-N 3.44Å; V92-V94 VanDerWaalsContact C-N 3.34Å; V92-V94 PolarHBondContact O-N 2.87Å; V92-L95 WeakPolarHBondContact O-CB 3.3Å; V92-L95 PolarHBondContact O-N 3.24Å; V92-L96 HydrophobicContact CG1-CD1 3.68Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 WeakPolarHBondContact O-CG 3.47Å; V92-L96 PolarHBondContact O-N 2.89Å; V92-F106 HydrophobicContact CG1-CD1 4.26Å; V92-F106 HydrophobicContact CG1-CE1 3.83Å; V92-V107 HydrophobicContact CB-CG2 4.34Å; V92-V107 HydrophobicContact CG1-CG2 3.82Å; V92-L110 HydrophobicContact CB-CD2 4.4Å; V92-L110 HydrophobicContact CG1-CD2 3.85Å; V92-L110 HydrophobicContact CG2-CD2 3.61Å |
| 93 | K | 82.6 | Confident | 80.4 | Confident | 87 Ų | 87 | 70 Ų | 70 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.4 | -35 | 176.5 | -75.3 | 178.9 | 177.6 | -175.3 | 0 | 112.7 | A89 S90 L95 L96 V97 D104 V107 | A89-K93 WeakPolarHBondContact O-CB 3.38Å; A89-K93 VanDerWaalsContact O-CG 3.3Å; A89-K93 WeakPolarHBondContact O-CG 3.17Å; A89-K93 PolarHBondContact O-N 3.26Å; S90-K93 PolarHBondContact O-N 2.73Å; K93-L95 VanDerWaalsContact C-N 3.35Å; K93-L96 CarbonylContact O-C 3.55Å; K93-L96 PolarHBondContact O-N 3.31Å; K93-V97 PolarHBondContact O-N 2.86Å; K93-D104 IonicContact NZ-OD2 2.91Å; K93-D104 PolarHBondContact NZ-OD2 3.46Å; K93-V107 HydrophobicContact CG-CG2 3.93Å |
| 94 | V | 82.4 | Confident | 80.6 | Confident | 95 Ų | 95 | 69 Ų | 69 | 58% | 0.576 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.8 | -38.3 | 173.9 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | S90 R91 V92 V97 | S90-V94 VanDerWaalsContact O-CG2 3.32Å; S90-V94 WeakPolarHBondContact O-CG2 3.42Å; S90-V94 PolarHBondContact O-N 3.48Å; R91-V94 PolarHBondContact O-N 3.39Å; V92-V94 VanDerWaalsContact C-N 3.34Å; V92-V94 PolarHBondContact O-N 2.87Å; V94-V97 WeakPolarHBondContact O-CB 3.48Å |
| 95 | L | 78.8 | Confident | 80.5 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 20% | 0.199 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 174 | -73.2 | 172.8 | 0 | 0 | 0 | 110.8 | L72 I74 R91 V92 K93 V97 | L72-L95 HydrophobicContact CD1-CB 3.85Å; L72-L95 HydrophobicContact CD1-CD2 4.2Å; L72-L95 WeakPolarHBondContact CD1-O 3.06Å; L72-L95 HydrophobicContact CD2-CB 4.25Å; L72-L95 HydrophobicContact CG-CB 4.18Å; I74-L95 HydrophobicContact CG1-CD1 4.21Å; R91-L95 WeakPolarHBondContact O-CG 3.24Å; R91-L95 PolarHBondContact O-N 3.06Å; R91-L95 VanDerWaalsContact O-N 3.13Å; V92-L95 WeakPolarHBondContact O-CB 3.3Å; V92-L95 PolarHBondContact O-N 3.24Å; K93-L95 VanDerWaalsContact C-N 3.35Å; L95-V97 PolarHBondContact O-N 2.94Å |
| 96 | L | 76.7 | Confident | 80.4 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -84.9 | 23.2 | -179.4 | -61.7 | 167.3 | 0 | 0 | 0 | 114.5 | L58 Y62 L72 V92 K93 D98 C99 T103 F106 V107 | L58-L96 HydrophobicContact CD2-CD2 3.61Å; Y62-L96 HydrophobicContact CE2-CD2 4.49Å; L72-L96 HydrophobicContact CD2-CD2 3.69Å; L72-L96 HydrophobicContact CD2-CG 4.4Å; V92-L96 HydrophobicContact CG1-CD1 3.68Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 WeakPolarHBondContact O-CG 3.47Å; V92-L96 PolarHBondContact O-N 2.89Å; K93-L96 CarbonylContact O-C 3.55Å; K93-L96 PolarHBondContact O-N 3.31Å; L96-D98 PolarHBondContact O-N 3.12Å; L96-C99 HydrophobicContact CB-CB 4.38Å; L96-C99 WeakPolarHBondContact O-CB 3.49Å; L96-C99 PolarHBondContact O-N 3.19Å; L96-T103 HydrophobicContact CB-CG2 3.84Å; L96-T103 HydrophobicContact CD1-CG2 3.68Å; L96-T103 HydrophobicContact CG-CG2 4.26Å; L96-F106 HydrophobicContact CD1-CD1 3.54Å; L96-F106 HydrophobicContact CD1-CE1 3.72Å; L96-V107 HydrophobicContact CD1-CG2 4.37Å |
| 97 | V | 70.7 | Confident | 80.4 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 66% | 0.655 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -63.7 | -28.9 | -172.8 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | K93 V94 L95 C99 | K93-V97 PolarHBondContact O-N 2.86Å; V94-V97 WeakPolarHBondContact O-CB 3.48Å; L95-V97 PolarHBondContact O-N 2.94Å; V97-C99 VanDerWaalsContact C-N 3.27Å; V97-C99 PolarHBondContact O-N 3.28Å |
| 98 | D | 66.8 | Low | 80.4 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -84.3 | 0.1 | 177.9 | -63.1 | -65.4 | 0 | 0 | 0 | 113 | L96 Y100 | L96-D98 PolarHBondContact O-N 3.12Å; D98-Y100 WeakPolarHBondContact O-CD2 3.39Å |
| 99 | C | 68.3 | Low | 80.4 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | trans | -83.9 | 121.2 | 177.8 | -161.2 | 0 | 0 | 0 | 0 | 111.4 | Y62 L96 V97 K101 T103 | Y62-C99 HydrophobicContact CE1-CB 4.32Å; Y62-C99 HydrophobicContact CE2-CB 4.09Å; Y62-C99 WeakPolarHBondContact OH-CB 3.34Å; Y62-C99 PolarHBondContact OH-N 3.14Å; L96-C99 HydrophobicContact CB-CB 4.38Å; L96-C99 WeakPolarHBondContact O-CB 3.49Å; L96-C99 PolarHBondContact O-N 3.19Å; V97-C99 VanDerWaalsContact C-N 3.27Å; V97-C99 PolarHBondContact O-N 3.28Å; C99-K101 VanDerWaalsContact C-N 3.33Å; C99-T103 HydrophobicContact CB-CG2 3.87Å | ||
| 100 | Y | 66.1 | Low | 80.4 | Confident | 226 Ų | 226 | 63 Ų | 63 | 89% | 0.886 | 34% | 0.344 | S | S | * | . | trans | -83.3 | -6.3 | 177.6 | -63.7 | -85.1 | 0 | 0 | 0 | 113.8 | D98 | D98-Y100 WeakPolarHBondContact O-CD2 3.39Š| ||
| 101 | K | 72.3 | Confident | 80.3 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 37% | 0.365 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -95 | 157.9 | 178.7 | -69.8 | -156.8 | -161.1 | 172.1 | 0 | 111.8 | D60 L61 D63 C99 T103 | D60-K101 PolarHBondContact O-NZ 2.91Å; L61-K101 HydrophobicContact CG-CB 4.34Å; L61-K101 WeakPolarHBondContact O-CD 3.44Å; L61-K101 WeakPolarHBondContact O-CE 3.19Å; L61-K101 WeakPolarHBondContact O-CG 3.31Å; L61-K101 PolarHBondContact O-NZ 3.21Å; D63-K101 VanDerWaalsContact CB-NZ 3.3Å; D63-K101 IonicContact OD2-NZ 3.36Å; D63-K101 PolarHBondContact OD2-NZ 2.9Å; C99-K101 VanDerWaalsContact C-N 3.33Å; K101-T103 PolarHBondContact O-N 3.43Å |
| 102 | P | 76.9 | Confident | 80.4 | Confident | 113 Ų | 113 | 62.7 Ų | 62.7 | 73% | 0.734 | 34% | 0.34 | S | S | * | . | trans | -65.3 | 108.2 | 176.2 | 26 | -34.5 | 0 | 0 | 0 | 111.5 | D104 | P102-D104 VanDerWaalsContact C-N 3.34Š| ||
| 103 | T | 82.5 | Confident | 80.4 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 14% | 0.135 | 36% | 0.363 | C | S | . | . | trans | -84.4 | -5.4 | 179.4 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | L61 L96 C99 K101 A105 F106 V107 | L61-T103 HydrophobicContact CD2-CG2 3.55Å; L96-T103 HydrophobicContact CB-CG2 3.84Å; L96-T103 HydrophobicContact CD1-CG2 3.68Å; L96-T103 HydrophobicContact CG-CG2 4.26Å; C99-T103 HydrophobicContact CB-CG2 3.87Å; K101-T103 PolarHBondContact O-N 3.43Å; T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.49Å; T103-F106 WeakPolarHBondContact O-CB 3.19Å; T103-F106 PolarHBondContact O-N 2.75Å; T103-F106 VanDerWaalsContact O-N 3.1Å; T103-V107 VanDerWaalsContact O-CG2 3.26Å; T103-V107 WeakPolarHBondContact O-CG2 3.45Å; T103-V107 PolarHBondContact O-N 3.04Å | ||
| 104 | D | 84.3 | Confident | 80.5 | Confident | 91 Ų | 91 | 64 Ų | 64 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | -172 | -158.6 | -104.6 | 0 | 0 | 0 | 113.3 | K93 P102 T108 | K93-D104 IonicContact NZ-OD2 2.91Å; K93-D104 PolarHBondContact NZ-OD2 3.46Å; P102-D104 VanDerWaalsContact C-N 3.34Å; D104-T108 WeakPolarHBondContact O-CB 3.5Å; D104-T108 PolarHBondContact O-N 3.19Å; D104-T108 PolarHBondContact O-OG1 3.37Å |
| 105 | A | 85.3 | Confident | 80.5 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.4 | -42.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T103 A109 | T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.49Å; A105-A109 WeakPolarHBondContact O-CB 3.43Å; A105-A109 PolarHBondContact O-N 3.26Å |
| 106 | F | 84.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 175.8 | 170.2 | -101.2 | 0 | 0 | 0 | 111.4 | W53 I54 Q57 L61 I74 V92 L96 T103 T108 A109 L110 | W53-F106 AromaticContact CH2-CD2 3.88Å; W53-F106 HydrophobicContact CH2-CD2 3.88Å; W53-F106 AromaticContact CH2-CE2 3.98Å; W53-F106 HydrophobicContact CH2-CE2 3.98Å; W53-F106 HydrophobicContact CZ2-CD2 4.44Å; W53-F106 HydrophobicContact CZ3-CD2 4.34Å; W53-F106 AromaticContact CZ3-CE2 3.95Å; W53-F106 HydrophobicContact CZ3-CE2 3.95Å; I54-F106 HydrophobicContact CG1-CZ 4.41Å; I54-F106 HydrophobicContact CG2-CZ 4.3Å; Q57-F106 HydrophobicContact CB-CD2 3.53Å; Q57-F106 HydrophobicContact CB-CE2 3.68Å; Q57-F106 HydrophobicContact CG-CD2 4Å; Q57-F106 HydrophobicContact CG-CE2 4.32Å; L61-F106 HydrophobicContact CD1-CB 4.49Å; I74-F106 HydrophobicContact CD1-CE1 4.2Å; I74-F106 HydrophobicContact CD1-CZ 4.01Å; V92-F106 HydrophobicContact CG1-CD1 4.26Å; V92-F106 HydrophobicContact CG1-CE1 3.83Å; L96-F106 HydrophobicContact CD1-CD1 3.54Å; L96-F106 HydrophobicContact CD1-CE1 3.72Å; T103-F106 WeakPolarHBondContact O-CB 3.19Å; T103-F106 PolarHBondContact O-N 2.75Å; T103-F106 VanDerWaalsContact O-N 3.1Å; F106-T108 VanDerWaalsContact C-N 3.34Å; F106-T108 PolarHBondContact O-N 3.15Å; F106-A109 PolarHBondContact O-N 3.08Å; F106-L110 HydrophobicContact CE1-CD2 3.95Å; F106-L110 HydrophobicContact CZ-CD2 4.05Å; F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.46Å; F106-L110 PolarHBondContact O-N 2.94Å |
| 107 | V | 87 | Confident | 80.5 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 179.2 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | A89 V92 K93 L96 T103 A109 L110 L111 | A89-V107 HydrophobicContact CB-CG1 3.57Å; V92-V107 HydrophobicContact CB-CG2 4.34Å; V92-V107 HydrophobicContact CG1-CG2 3.82Å; K93-V107 HydrophobicContact CG-CG2 3.93Å; L96-V107 HydrophobicContact CD1-CG2 4.37Å; T103-V107 VanDerWaalsContact O-CG2 3.26Å; T103-V107 WeakPolarHBondContact O-CG2 3.45Å; T103-V107 PolarHBondContact O-N 3.04Å; V107-A109 PolarHBondContact O-N 2.79Å; V107-L110 PolarHBondContact O-N 3.12Å; V107-L111 HydrophobicContact CG1-CD1 4.15Å; V107-L111 WeakPolarHBondContact O-CG 3.47Å; V107-L111 PolarHBondContact O-N 2.99Å |
| 108 | T | 89.3 | Confident | 80.7 | Confident | 69 Ų | 69 | 69.7 Ų | 69.7 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 178.8 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | D104 F106 L110 L111 E112 | D104-T108 WeakPolarHBondContact O-CB 3.5Å; D104-T108 PolarHBondContact O-N 3.19Å; D104-T108 PolarHBondContact O-OG1 3.37Å; F106-T108 VanDerWaalsContact C-N 3.34Å; F106-T108 PolarHBondContact O-N 3.15Å; T108-L110 PolarHBondContact O-N 2.89Å; T108-L111 PolarHBondContact O-N 3.15Å; T108-E112 WeakPolarHBondContact O-CG 3.39Å; T108-E112 PolarHBondContact O-N 3.3Å |
| 109 | A | 88.1 | Confident | 80.9 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 22% | 0.223 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W53 A105 F106 V107 E112 K113 | W53-A109 HydrophobicContact CH2-CB 3.56Å; W53-A109 HydrophobicContact CZ2-CB 3.48Å; W53-A109 VanDerWaalsContact CZ2-CB 3.48Å; A105-A109 WeakPolarHBondContact O-CB 3.43Å; A105-A109 PolarHBondContact O-N 3.26Å; F106-A109 PolarHBondContact O-N 3.08Å; V107-A109 PolarHBondContact O-N 2.79Å; A109-E112 PolarHBondContact O-N 2.85Å; A109-K113 VanDerWaalsContact O-CG 3.27Å; A109-K113 WeakPolarHBondContact O-CG 3.5Å; A109-K113 PolarHBondContact O-N 3.01Å |
| 110 | L | 87 | Confident | 80.8 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.4 | 176.6 | 60.2 | 0 | 0 | 0 | 110.4 | L50 W53 I54 I74 L79 V92 F106 V107 T108 E112 K113 V114 | L50-L110 HydrophobicContact CD1-CD1 4.05Å; W53-L110 HydrophobicContact CH2-CB 4.07Å; W53-L110 HydrophobicContact CZ3-CB 3.88Å; W53-L110 HydrophobicContact CZ3-CD1 4Å; I54-L110 HydrophobicContact CD1-CD1 3.7Å; I54-L110 HydrophobicContact CG1-CD1 3.89Å; I74-L110 HydrophobicContact CD1-CD2 4.29Å; I74-L110 HydrophobicContact CG2-CD2 4.27Å; L79-L110 HydrophobicContact CD1-CD2 4.27Å; V92-L110 HydrophobicContact CB-CD2 4.4Å; V92-L110 HydrophobicContact CG1-CD2 3.85Å; V92-L110 HydrophobicContact CG2-CD2 3.61Å; F106-L110 HydrophobicContact CE1-CD2 3.95Å; F106-L110 HydrophobicContact CZ-CD2 4.05Å; F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.46Å; F106-L110 PolarHBondContact O-N 2.94Å; V107-L110 PolarHBondContact O-N 3.12Å; T108-L110 PolarHBondContact O-N 2.89Å; L110-E112 PolarHBondContact O-N 3.1Å; L110-K113 PolarHBondContact O-N 2.82Å; L110-V114 HydrophobicContact CD1-CG2 3.98Å; L110-V114 HydrophobicContact CG-CG2 4.3Å; L110-V114 WeakPolarHBondContact O-CB 3.47Å; L110-V114 VanDerWaalsContact O-CG2 3.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.48Å; L110-V114 PolarHBondContact O-N 2.92Å |
| 111 | L | 86.6 | Confident | 80.3 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.8 | -67.5 | 174.4 | 0 | 0 | 0 | 112.5 | D85 R88 A89 V107 T108 K113 V114 R115 | D85-L111 HydrophobicContact CB-CD1 4.21Å; R88-L111 HydrophobicContact CB-CD2 3.21Å; R88-L111 HydrophobicContact CG-CD2 4.14Å; A89-L111 HydrophobicContact CB-CD1 3.99Å; V107-L111 HydrophobicContact CG1-CD1 4.15Å; V107-L111 WeakPolarHBondContact O-CG 3.47Å; V107-L111 PolarHBondContact O-N 2.99Å; T108-L111 PolarHBondContact O-N 3.15Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.43Å; L111-V114 PolarHBondContact O-N 2.76Å; L111-R115 WeakPolarHBondContact O-CB 3.39Å; L111-R115 WeakPolarHBondContact O-CG 3.34Å; L111-R115 PolarHBondContact O-N 2.84Å |
| 112 | E | 88.1 | Confident | 79.2 | Confident | 133 Ų | 133 | 65 Ų | 65 | 62% | 0.621 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.7 | -41.2 | 175.8 | -73.2 | -167.6 | 121.9 | 0 | 0 | 112 | T108 A109 L110 | T108-E112 WeakPolarHBondContact O-CG 3.39Å; T108-E112 PolarHBondContact O-N 3.3Å; A109-E112 PolarHBondContact O-N 2.85Å; L110-E112 PolarHBondContact O-N 3.1Å |
| 113 | K | 84.4 | Confident | 77.7 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.9 | -46.9 | 177.2 | -62.9 | -77.2 | -177.7 | 170.6 | 0 | 111.5 | L50 A109 L110 L111 R115 G116 L117 | L50-K113 HydrophobicContact CD1-CB 3.41Å; L50-K113 VanDerWaalsContact CD1-CB 3.41Å; L50-K113 HydrophobicContact CD1-CG 4.05Å; A109-K113 VanDerWaalsContact O-CG 3.27Å; A109-K113 WeakPolarHBondContact O-CG 3.5Å; A109-K113 PolarHBondContact O-N 3.01Å; L110-K113 PolarHBondContact O-N 2.82Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.43Å; K113-R115 VanDerWaalsContact C-N 3.27Å; K113-R115 PolarHBondContact O-N 2.94Å; K113-G116 WeakPolarHBondContact O-CA 3.21Å; K113-G116 PolarHBondContact O-N 2.7Å; K113-L117 WeakPolarHBondContact O-CD1 3.14Å; K113-L117 PolarHBondContact O-N 2.79Å |
| 114 | V | 83.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.3 | -36.9 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L50 V76 L79 L80 L110 L111 G116 L117 | L50-V114 HydrophobicContact CD2-CG2 4.25Å; V76-V114 HydrophobicContact CG1-CG2 4.21Å; L79-V114 HydrophobicContact CB-CG1 4.19Å; L79-V114 HydrophobicContact CD1-CG2 4.26Å; L80-V114 HydrophobicContact CD2-CG1 3.72Å; L80-V114 WeakPolarHBondContact CD2-O 3.24Å; L80-V114 HydrophobicContact CG-CG1 4.03Å; L110-V114 HydrophobicContact CD1-CG2 3.98Å; L110-V114 HydrophobicContact CG-CG2 4.3Å; L110-V114 WeakPolarHBondContact O-CB 3.47Å; L110-V114 VanDerWaalsContact O-CG2 3.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.48Å; L110-V114 PolarHBondContact O-N 2.92Å; L111-V114 PolarHBondContact O-N 2.76Å; V114-G116 PolarHBondContact O-N 2.83Å; V114-L117 WeakPolarHBondContact O-CB 3.44Å; V114-L117 PolarHBondContact O-N 2.73Å |
| 115 | R | 82.4 | Confident | 73.9 | Confident | 168 Ų | 168 | 73.3 Ų | 73.3 | 63% | 0.634 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.2 | -28.5 | 172.8 | -78 | -177.9 | 68.7 | -115.8 | -2 | 113.6 | L111 K113 L117 | L111-R115 WeakPolarHBondContact O-CB 3.39Å; L111-R115 WeakPolarHBondContact O-CG 3.34Å; L111-R115 PolarHBondContact O-N 2.84Å; K113-R115 VanDerWaalsContact C-N 3.27Å; K113-R115 PolarHBondContact O-N 2.94Å; R115-L117 VanDerWaalsContact C-N 3.35Å |
| 116 | G | 77.9 | Confident | 72.1 | Confident | 42 Ų | 42 | 78.8 Ų | 78.8 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K46 K113 V114 | K46-G116 PolarHBondContact NZ-O 3.07Å; K46-G116 VanDerWaalsContact NZ-O 3.15Å; K113-G116 WeakPolarHBondContact O-CA 3.21Å; K113-G116 PolarHBondContact O-N 2.7Å; V114-G116 PolarHBondContact O-N 2.83Å |
| 117 | L | 78.8 | Confident | 70.4 | Confident | 15 Ų | 15 | 85.9 Ų | 85.9 | 8% | 0.079 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 143.5 | 176.8 | -89 | 75.9 | 0 | 0 | 0 | 111.2 | E43 K46 R47 L50 V76 L80 K113 V114 R115 | E43-L117 WeakPolarHBondContact OE1-CA 3.49Å; K46-L117 HydrophobicContact CB-CD1 4.47Å; R47-L117 HydrophobicContact CB-CD2 4.45Å; L50-L117 HydrophobicContact CD2-CD1 4.09Å; L50-L117 HydrophobicContact CD2-CD2 3.54Å; L50-L117 HydrophobicContact CD2-CG 4.48Å; V76-L117 HydrophobicContact CG1-CD2 3.93Å; L80-L117 HydrophobicContact CD1-CB 4.44Å; L80-L117 HydrophobicContact CD2-CB 4.43Å; K113-L117 WeakPolarHBondContact O-CD1 3.14Å; K113-L117 PolarHBondContact O-N 2.79Å; V114-L117 WeakPolarHBondContact O-CB 3.44Å; V114-L117 PolarHBondContact O-N 2.73Å; R115-L117 VanDerWaalsContact C-N 3.35Å |
| 118 | Q | 74.2 | Confident | 68.7 | Low | 142 Ų | 142 | 94 Ų | 94 | 66% | 0.664 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -103.7 | 134.8 | 172.4 | -72.8 | -86.5 | -65.3 | 0 | 0 | 108.5 | E43 L120 | E43-Q118 HydrophobicContact CG-CB 4.26Å; E43-Q118 PolarHBondContact OE1-N 2.81Å; Q118-L120 PolarHBondContact O-N 3.09Å; Q118-L120 VanDerWaalsContact O-N 3.12Å |
| 119 | K | 70.4 | Confident | 66.5 | Low | 97 Ų | 97 | 101 Ų | 101 | 42% | 0.422 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 121.8 | 173.9 | -165.2 | 172.9 | -169.2 | 178.3 | 0 | 108.7 | L80 D81 S121 | L80-K119 HydrophobicContact CD1-CB 4.29Å; D81-K119 IonicContact OD1-NZ 2.73Å; D81-K119 PolarHBondContact OD1-NZ 2.87Å; D81-K119 IonicContact OD2-NZ 3.52Å; D81-K119 PolarHBondContact OD2-NZ 3.42Å; K119-S121 PolarHBondContact O-N 3.04Å |
| 120 | L | 66.3 | Low | 64.2 | Low | 35 Ų | 35 | 104.6 Ų | 104.6 | 18% | 0.183 | 53% | 0.534 | C | S | . | . | trans | -69.5 | 86.2 | 175.5 | -70.6 | 178 | 0 | 0 | 0 | 107.6 | Y39 E43 L44 Q118 T122 | Y39-L120 HydrophobicContact CD1-CB 3.69Å; Y39-L120 HydrophobicContact CD1-CD1 3.65Å; Y39-L120 HydrophobicContact CD1-CD2 3.9Å; Y39-L120 HydrophobicContact CD1-CG 3.93Å; Y39-L120 HydrophobicContact CE1-CB 3.79Å; Y39-L120 HydrophobicContact CE1-CD1 3.96Å; Y39-L120 HydrophobicContact CE1-CG 4.37Å; Y39-L120 HydrophobicContact CG-CD1 4.38Å; E43-L120 HydrophobicContact CB-CD2 3.98Å; E43-L120 HydrophobicContact CG-CD2 3.72Å; L44-L120 HydrophobicContact CD2-CD1 4.03Å; Q118-L120 PolarHBondContact O-N 3.09Å; Q118-L120 VanDerWaalsContact O-N 3.12Å; L120-T122 PolarHBondContact O-N 3.24Å | ||
| 121 | S | 56.6 | Low | 62.9 | Low | 97 Ų | 97 | 109.8 Ų | 109.8 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | trans | -57.5 | 115.4 | -176 | -106.2 | 0 | 0 | 0 | 0 | 110.3 | V37 K119 | V37-S121 WeakPolarHBondContact CG1-O 3.31Å; K119-S121 PolarHBondContact O-N 3.04Å | ||
| 122 | T | 49 | Very low | 62.1 | Low | 96 Ų | 96 | 118.2 Ų | 118.2 | 59% | 0.589 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 130.8 | 156.8 | 43.6 | 0 | 0 | 0 | 0 | 107 | V37 L120 | V37-T122 HydrophobicContact CG2-CG2 3.88Å; L120-T122 PolarHBondContact O-N 3.24Å |
| 123 | P | 45 | Very low | 60.8 | Low | 85 Ų | 85 | 117.5 Ų | 117.5 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -58 | 136.6 | 175.1 | 24.2 | -31.5 | 0 | 0 | 0 | 108.2 | K125 | P123-K125 PolarHBondContact O-N 3.37Å; P123-K125 VanDerWaalsContact O-N 3.1Å |
| 124 | P | 44.7 | Very low | 59.6 | Low | 120 Ų | 120 | 117.7 Ų | 117.7 | 78% | 0.779 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 124 | 179.4 | 23.7 | -32.4 | 0 | 0 | 0 | 107.9 | K126 | P124-K126 VanDerWaalsContact C-N 3.25Å; P124-K126 PolarHBondContact O-N 2.77Å |
| 125 | K | 41.9 | Very low | 58.2 | Low | 194 Ų | 194 | 124.3 Ų | 124.3 | 84% | 0.843 | 67% | 0.665 | S | S | * | * | trans | -61.9 | 96.7 | 164.5 | -74.3 | -148.9 | 178.9 | -177.9 | 0 | 107 | P123 N127 | P123-K125 PolarHBondContact O-N 3.37Å; P123-K125 VanDerWaalsContact O-N 3.1Å; K125-N127 PolarHBondContact O-N 2.94Å; K125-N127 VanDerWaalsContact O-N 3.08Å | ||
| 126 | K | 47.9 | Very low | 56.8 | Low | 195 Ų | 195 | 121.7 Ų | 121.7 | 85% | 0.848 | 67% | 0.667 | S | S | * | * | trans | -59.6 | 109 | 157.1 | -99.3 | -176.7 | 174.4 | 179.8 | 0 | 106 | P124 | P124-K126 VanDerWaalsContact C-N 3.25Å; P124-K126 PolarHBondContact O-N 2.77Å | ||
| 127 | N | 50 | Low | 55.5 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | trans | -178.7 | 119.7 | 150.7 | -86 | 1.5 | 0 | 0 | 0 | 102.1 | K125 | K125-N127 PolarHBondContact O-N 2.94Å; K125-N127 VanDerWaalsContact O-N 3.08Å | ||
| 128 | E | 50.2 | Low | 53.9 | Low | 172 Ų | 172 | 134.1 Ų | 134.1 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | -177.5 | 137.5 | 52.3 | 174.3 | 163.4 | 78.5 | 0 | 0 | 106.4 | |||||
| 129 | K | 43.8 | Very low | 52.5 | Low | 217 Ų | 217 | 133.6 Ų | 133.6 | 94% | 0.943 | 73% | 0.726 | S | S | * | * | trans | -133.1 | 110.7 | 153.8 | -111.4 | -178.5 | -177.8 | 179.5 | 0 | 108.8 | ||||
| 130 | S | 40.1 | Very low | 51.1 | Low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -40.4 | 166.6 | 176 | -115.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 131 | P | 58.1 | Low | 49.9 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -86.7 | 166.4 | -165.1 | 38.6 | -34.6 | 0 | 0 | 0 | 112.6 | ||||
| 132 | P | 70.9 | Confident | 49.2 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 100% | 1.292 | 81% | 0.808 | S | S | * | * | trans | -81.1 | 0 | 154.4 | 34.5 | -31.5 | 0 | 0 | 0 | 112.3 |
Retrieved 132 of 132 residues in 26.2 ms
(Link to these results)