| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.9 | Very low | 43.5 | Very low | 246 Ų | 246 | 160.5 Ų | 160.5 | 100% | 1.212 | 85% | 0.849 | S | S | * | * | 0 | 123.8 | 0 | -81.3 | -74 | -93.8 | 0 | 0 | 109.5 | |||||
| 2 | G | 41.2 | Very low | 43.2 | Very low | 70 Ų | 70 | 154.8 Ų | 154.8 | 72% | 0.722 | 84% | 0.842 | S | S | * | * | trans | 94.2 | 104 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 3 | K | 44.6 | Very low | 42.4 | Very low | 207 Ų | 207 | 154.7 Ų | 154.7 | 90% | 0.9 | 83% | 0.829 | S | S | * | * | trans | 72.3 | 104 | 139.5 | -52 | 179.8 | -173.3 | 178.5 | 0 | 119.4 | ||||
| 4 | N | 45.3 | Very low | 42.2 | Very low | 172 Ų | 172 | 156.2 Ų | 156.2 | 92% | 0.92 | 82% | 0.824 | S | S | * | * | trans | -99.7 | 144.1 | 150.1 | -84.7 | -14.6 | 0 | 0 | 0 | 111.2 | ||||
| 5 | K | 51.7 | Low | 42.1 | Very low | 193 Ų | 193 | 157.3 Ų | 157.3 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -98.6 | -163.1 | 174 | -70.7 | 175.9 | 172.7 | 174.6 | 0 | 110 | ||||
| 6 | Q | 48.2 | Very low | 41.5 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | trans | 85.5 | 140 | 173.1 | -41.9 | -80.6 | 11.8 | 0 | 0 | 112.3 | ||||
| 7 | T | 42.4 | Very low | 41.2 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | cis | -162.4 | 163.3 | -5.7 | 4.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 8 | K | 43.8 | Very low | 40.9 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -96.1 | 157.6 | 150.3 | -62.6 | -179.5 | 179.2 | 179.2 | 0 | 108.3 | ||||
| 9 | P | 49.2 | Very low | 40.7 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | -145.3 | 158.2 | 96.9 | 35.6 | -16.3 | 0 | 0 | 0 | 113.5 | |||||
| 10 | A | 39.7 | Very low | 40.3 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | 66.1 | 152.3 | 105 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 11 | E | 35.4 | Very low | 40.2 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | cis | -166.6 | 162.8 | 20.2 | -152.7 | 164.8 | -142.7 | 0 | 0 | 112.4 | ||||
| 12 | A | 40 | Very low | 40.1 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | 49.5 | 165.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 13 | F | 32.7 | Very low | 40.4 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | cis | -171.8 | -178.8 | -36.5 | -172.2 | -109.5 | 0 | 0 | 0 | 108.5 | ||||
| 14 | K | 39.5 | Very low | 40.2 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | 77.3 | 113.1 | 175.1 | -40.8 | -85.7 | -179.1 | 165 | 0 | 114 | ||||
| 15 | Q | 40.8 | Very low | 40.3 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | cis | 76.9 | 125.8 | 49.6 | -65.5 | -168.5 | -10.5 | 0 | 0 | 115.7 | ||||
| 16 | G | 32.2 | Very low | 40.2 | Very low | 83 Ų | 83 | 143.6 Ų | 143.6 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 176.4 | 148.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 17 | A | 36.6 | Very low | 40 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -148.6 | 175.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 18 | T | 36 | Very low | 40.2 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | cis | -156.2 | 157.8 | 18.8 | -32.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 19 | T | 36.4 | Very low | 40.2 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | 49.3 | 129.3 | 154.6 | 44.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 20 | G | 33.4 | Very low | 40.3 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -163.8 | 120.7 | 155 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 21 | Q | 38 | Very low | 40.8 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -110.7 | 132.6 | 176.4 | -66.8 | -173.3 | 7.3 | 0 | 0 | 111 | ||||
| 22 | Y | 34.8 | Very low | 41.5 | Very low | 238 Ų | 238 | 147.8 Ų | 147.8 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | trans | -150.3 | 134.4 | 148.2 | -80.6 | -68.2 | 0 | 0 | 0 | 110.4 | ||||
| 23 | P | 47.3 | Very low | 42 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -97.7 | 122.4 | -174.8 | 34.8 | -31.4 | 0 | 0 | 0 | 113.3 | ||||
| 24 | S | 40.5 | Very low | 43 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -89.6 | 111.8 | 165 | 52.6 | 0 | 0 | 0 | 0 | 111 | K26 | S24-K26 PolarHBondContact O-N 3.27Š| ||
| 25 | K | 47.8 | Very low | 43.8 | Very low | 212 Ų | 212 | 148.8 Ų | 148.8 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | trans | -66.7 | 114.8 | 174.2 | -67.6 | 176.6 | -178.6 | 173.6 | 0 | 109.4 | ||||
| 26 | K | 48.9 | Very low | 44.6 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | -101.4 | 135.4 | 164.1 | -66.8 | -173.1 | 179.6 | -177.5 | 0 | 109.3 | S24 K28 | S24-K26 PolarHBondContact O-N 3.27Å; K26-K28 PolarHBondContact O-N 3Å | ||
| 27 | P | 45.3 | Very low | 45.8 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -64 | 132.6 | 178 | 26 | -33.2 | 0 | 0 | 0 | 110.3 | R29 | P27-R29 PolarHBondContact O-N 2.86Å; P27-R29 VanDerWaalsContact O-N 3.08Å | ||
| 28 | K | 46.1 | Very low | 47.3 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -69.2 | 103.9 | 172.7 | -72.5 | -179.8 | 178.8 | 175.8 | 0 | 109 | K26 D30 | K26-K28 PolarHBondContact O-N 3Å; K28-D30 PolarHBondContact O-N 3.23Å | ||
| 29 | R | 43.5 | Very low | 48.9 | Very low | 237 Ų | 237 | 147 Ų | 147 | 89% | 0.894 | 74% | 0.74 | S | S | * | * | trans | -82.8 | 93.6 | 160.8 | -171.6 | 173.1 | -177.3 | 168 | 0.8 | 107.8 | P27 G31 | P27-R29 PolarHBondContact O-N 2.86Å; P27-R29 VanDerWaalsContact O-N 3.08Å; R29-G31 VanDerWaalsContact C-N 3.29Å; R29-G31 PolarHBondContact O-N 3.04Å | ||
| 30 | D | 51.7 | Low | 50.7 | Low | 154 Ų | 154 | 147 Ų | 147 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -67.9 | 91.5 | 171.9 | -79.1 | -52.2 | 0 | 0 | 0 | 109.6 | K28 | K28-D30 PolarHBondContact O-N 3.23Š| ||
| 31 | G | 49.7 | Very low | 53 | Low | 52 Ų | 52 | 151.4 Ų | 151.4 | 54% | 0.536 | 73% | 0.729 | S | S | . | * | trans | -157.8 | 61.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R29 P33 | R29-G31 VanDerWaalsContact C-N 3.29Å; R29-G31 PolarHBondContact O-N 3.04Å; G31-P33 WeakPolarHBondContact O-CD 3.48Å | ||
| 32 | K | 49.8 | Very low | 55.1 | Low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.896 | 70% | 0.7 | S | S | * | * | trans | -64 | 113 | 164.8 | -71.9 | 176.7 | -178.6 | 170.5 | 0 | 107.3 | ||||
| 33 | P | 52.1 | Low | 57.8 | Low | 87 Ų | 87 | 138.2 Ų | 138.2 | 57% | 0.565 | 69% | 0.685 | S | S | * | * | trans | -60.2 | 144.5 | 170.7 | 27.3 | -33.8 | 0 | 0 | 0 | 108.4 | G31 Q35 | G31-P33 WeakPolarHBondContact O-CD 3.48Å; P33-Q35 VanDerWaalsContact C-N 3.29Å; P33-Q35 PolarHBondContact O-N 3.36Å | ||
| 34 | R | 52 | Low | 59.6 | Low | 198 Ų | 198 | 139.3 Ų | 139.3 | 75% | 0.747 | 68% | 0.678 | S | S | * | * | trans | -68.2 | 89.4 | 176.7 | -69.9 | -177.3 | 177.4 | -163.6 | 1.2 | 108.7 | K36 D37 | R34-K36 PolarHBondContact O-N 2.82Å; R34-D37 WeakPolarHBondContact CB-OD2 3.36Å; R34-D37 PolarHBondContact O-N 3.12Å; R34-D37 VanDerWaalsContact O-N 3.14Å | ||
| 35 | Q | 56.2 | Low | 62 | Low | 157 Ų | 157 | 143.9 Ų | 143.9 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -58.1 | -10.1 | -176 | -70 | -175.2 | -30.6 | 0 | 0 | 114.8 | P33 | P33-Q35 VanDerWaalsContact C-N 3.29Å; P33-Q35 PolarHBondContact O-N 3.36Å |
| 36 | K | 57.6 | Low | 63.9 | Low | 160 Ų | 160 | 138.2 Ų | 138.2 | 70% | 0.696 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.6 | -40.1 | 178.8 | -60.5 | -177.9 | 180 | -178 | 0 | 111.3 | R34 H38 L39 E40 | R34-K36 PolarHBondContact O-N 2.82Å; K36-H38 PolarHBondContact O-N 3.12Å; K36-L39 WeakPolarHBondContact O-CB 3.39Å; K36-L39 PolarHBondContact O-N 2.94Å; K36-L39 VanDerWaalsContact O-N 3.15Å; K36-E40 PolarHBondContact O-N 3.05Å |
| 37 | D | 57.9 | Low | 65.8 | Low | 86 Ų | 86 | 132.4 Ų | 132.4 | 46% | 0.46 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.3 | -42.9 | -167.6 | -48.7 | 1.1 | 0 | 0 | 0 | 111 | R34 L39 E40 | R34-D37 WeakPolarHBondContact CB-OD2 3.36Å; R34-D37 PolarHBondContact O-N 3.12Å; R34-D37 VanDerWaalsContact O-N 3.14Å; D37-L39 VanDerWaalsContact C-N 3.34Å; D37-L39 PolarHBondContact O-N 2.79Å; D37-E40 PolarHBondContact O-N 2.91Å; D37-E40 VanDerWaalsContact O-N 3.15Å |
| 38 | H | 67.4 | Low | 67.9 | Low | 131 Ų | 131 | 131.2 Ų | 131.2 | 61% | 0.606 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.7 | -29.8 | 176.8 | -55.2 | -52.3 | 0 | 0 | 0 | 113.9 | K36 E40 Q41 I42 | K36-H38 PolarHBondContact O-N 3.12Å; H38-E40 PolarHBondContact O-N 2.88Å; H38-Q41 PolarHBondContact O-N 3.39Å; H38-I42 WeakPolarHBondContact O-CG1 3.32Å |
| 39 | L | 69.8 | Low | 70 | Confident | 50 Ų | 50 | 126.3 Ų | 126.3 | 26% | 0.262 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.8 | -25.2 | 175.4 | -70.9 | 170.8 | 0 | 0 | 0 | 111.5 | K36 D37 I42 R47 | K36-L39 WeakPolarHBondContact O-CB 3.39Å; K36-L39 PolarHBondContact O-N 2.94Å; K36-L39 VanDerWaalsContact O-N 3.15Å; D37-L39 VanDerWaalsContact C-N 3.34Å; D37-L39 PolarHBondContact O-N 2.79Å; L39-I42 HydrophobicContact CD2-CD1 4.41Å; L39-I42 PolarHBondContact O-N 3.14Å; L39-R47 WeakPolarHBondContact O-CD 3.31Å; L39-R47 PolarHBondContact O-NE 3.36Å; L39-R47 PolarHBondContact O-NH2 3.17Å |
| 40 | E | 75.9 | Confident | 72.1 | Confident | 137 Ų | 137 | 118.5 Ų | 118.5 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78.9 | -24.1 | 179.5 | -69.9 | -179.2 | -167.4 | 0 | 0 | 113.4 | K36 D37 H38 R47 | K36-E40 PolarHBondContact O-N 3.05Å; D37-E40 PolarHBondContact O-N 2.91Å; D37-E40 VanDerWaalsContact O-N 3.15Å; H38-E40 PolarHBondContact O-N 2.88Å; E40-R47 PolarHBondContact O-NH2 2.96Å |
| 41 | Q | 81.2 | Confident | 73.8 | Confident | 176 Ų | 176 | 115.7 Ų | 115.7 | 82% | 0.822 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72 | -26.2 | 170.5 | -154.5 | 93.1 | 16.2 | 0 | 0 | 113.1 | H38 | H38-Q41 PolarHBondContact O-N 3.39Å |
| 42 | I | 81.5 | Confident | 75.5 | Confident | 46 Ų | 46 | 115.8 Ų | 115.8 | 24% | 0.236 | 54% | 0.544 | C | S | . | . | S | Bend | trans | -78.7 | 136 | -174.3 | -66.6 | 170.3 | 0 | 0 | 0 | 110.8 | H38 L39 F44 L46 R47 | H38-I42 WeakPolarHBondContact O-CG1 3.32Å; L39-I42 HydrophobicContact CD2-CD1 4.41Å; L39-I42 PolarHBondContact O-N 3.14Å; I42-F44 PolarHBondContact O-N 2.73Å; I42-L46 HydrophobicContact CG2-CB 3.96Å; I42-L46 HydrophobicContact CG2-CD2 3.98Å; I42-L46 HydrophobicContact CG2-CG 3.97Å; I42-R47 HydrophobicContact CG2-CB 4.37Å; I42-R47 PolarHBondContact O-NE 3.16Å; I42-R47 PolarHBondContact O-NH2 3.27Å |
| 43 | P | 92.5 | Very high | 77.3 | Confident | 95 Ų | 95 | 113.4 Ų | 113.4 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | trans | -49.6 | 135.4 | 176.5 | -30.2 | 35.9 | 0 | 0 | 0 | 113.5 | R45 L46 R47 | P43-R45 VanDerWaalsContact C-N 3.3Å; P43-R45 PolarHBondContact O-N 3.24Å; P43-R45 VanDerWaalsContact O-N 3.12Å; P43-L46 PolarHBondContact O-N 3.2Å; P43-R47 PolarHBondContact O-N 3Å | ||
| 44 | F | 85.1 | Confident | 78.7 | Confident | 143 Ų | 143 | 114.3 Ų | 114.3 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -47.9 | -47.4 | -170.5 | 177 | -90.7 | 0 | 0 | 0 | 113.7 | I42 L46 R47 E48 | I42-F44 PolarHBondContact O-N 2.73Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 2.82Å; F44-R47 WeakPolarHBondContact O-CB 3.3Å; F44-R47 PolarHBondContact O-N 3.01Å; F44-E48 WeakPolarHBondContact CE1-OE2 3.5Å; F44-E48 WeakPolarHBondContact O-CB 3.49Å; F44-E48 PolarHBondContact O-N 3.34Å |
| 45 | R | 90 | Very high | 80.1 | Confident | 200 Ų | 200 | 110.5 Ų | 110.5 | 76% | 0.755 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.1 | -36 | -176.9 | -162.9 | 165 | -175.2 | 148.4 | -0.5 | 112.7 | P43 I49 | P43-R45 VanDerWaalsContact C-N 3.3Å; P43-R45 PolarHBondContact O-N 3.24Å; P43-R45 VanDerWaalsContact O-N 3.12Å; R45-I49 HydrophobicContact CG-CD1 4.4Å; R45-I49 WeakPolarHBondContact O-CD1 3.48Å; R45-I49 WeakPolarHBondContact O-CG1 3.31Å; R45-I49 PolarHBondContact O-N 2.8Å; R45-I49 VanDerWaalsContact O-N 3.15Å |
| 46 | L | 87.2 | Confident | 81.1 | Confident | 92 Ų | 92 | 110.4 Ų | 110.4 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.2 | -41.6 | 175.3 | -177.1 | 57.6 | 0 | 0 | 0 | 111.2 | I42 P43 F44 E48 I49 M50 | I42-L46 HydrophobicContact CG2-CB 3.96Å; I42-L46 HydrophobicContact CG2-CD2 3.98Å; I42-L46 HydrophobicContact CG2-CG 3.97Å; P43-L46 PolarHBondContact O-N 3.2Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 2.82Å; L46-E48 VanDerWaalsContact C-N 3.29Å; L46-E48 PolarHBondContact O-N 3.16Å; L46-I49 PolarHBondContact O-N 2.71Å; L46-M50 HydrophobicContact CD1-CG 4.4Å; L46-M50 HydrophobicContact CG-SD 4.31Å; L46-M50 WeakPolarHBondContact O-CG 3.44Å; L46-M50 PolarHBondContact O-N 3.04Å |
| 47 | R | 90.3 | Very high | 82.4 | Confident | 58 Ų | 58 | 112 Ų | 112 | 22% | 0.219 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -55.9 | -42.5 | 173.4 | -171.3 | -164.8 | -49.1 | -163.6 | -1.9 | 111.8 | L39 E40 I42 P43 F44 K51 | L39-R47 WeakPolarHBondContact O-CD 3.31Å; L39-R47 PolarHBondContact O-NE 3.36Å; L39-R47 PolarHBondContact O-NH2 3.17Å; E40-R47 PolarHBondContact O-NH2 2.96Å; I42-R47 HydrophobicContact CG2-CB 4.37Å; I42-R47 PolarHBondContact O-NE 3.16Å; I42-R47 PolarHBondContact O-NH2 3.27Å; P43-R47 PolarHBondContact O-N 3Å; F44-R47 WeakPolarHBondContact O-CB 3.3Å; F44-R47 PolarHBondContact O-N 3.01Å; R47-K51 WeakPolarHBondContact O-CB 3.29Å; R47-K51 WeakPolarHBondContact O-CG 3.41Å; R47-K51 PolarHBondContact O-N 3.42Å; R47-K51 VanDerWaalsContact O-N 3.08Å |
| 48 | E | 88.3 | Confident | 83.2 | Confident | 101 Ų | 101 | 113.2 Ų | 113.2 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 177.8 | -175.8 | 169.7 | -148.8 | 0 | 0 | 112.5 | F44 L46 M50 K51 S52 | F44-E48 WeakPolarHBondContact CE1-OE2 3.5Å; F44-E48 WeakPolarHBondContact O-CB 3.49Å; F44-E48 PolarHBondContact O-N 3.34Å; L46-E48 VanDerWaalsContact C-N 3.29Å; L46-E48 PolarHBondContact O-N 3.16Å; E48-M50 PolarHBondContact O-N 2.81Å; E48-K51 PolarHBondContact O-N 3.02Å; E48-S52 WeakPolarHBondContact O-CB 3.19Å; E48-S52 PolarHBondContact O-N 3.06Å |
| 49 | I | 90.9 | Very high | 83.3 | Confident | 87 Ų | 87 | 108 Ų | 108 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.8 | -69.8 | 164.2 | 0 | 0 | 0 | 111.1 | R45 L46 S52 K53 | R45-I49 HydrophobicContact CG-CD1 4.4Å; R45-I49 WeakPolarHBondContact O-CD1 3.48Å; R45-I49 WeakPolarHBondContact O-CG1 3.31Å; R45-I49 PolarHBondContact O-N 2.8Å; R45-I49 VanDerWaalsContact O-N 3.15Å; L46-I49 PolarHBondContact O-N 2.71Å; I49-S52 WeakPolarHBondContact O-CB 3.35Å; I49-S52 PolarHBondContact O-N 3.41Å; I49-S52 VanDerWaalsContact O-N 3.16Å; I49-K53 PolarHBondContact O-N 2.98Å |
| 50 | M | 87.8 | Confident | 83 | Confident | 73 Ų | 73 | 110.8 Ų | 110.8 | 36% | 0.36 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -50.6 | 176.5 | -72.1 | 179.3 | 70.1 | 0 | 0 | 111.5 | L46 E48 S52 K53 E54 | L46-M50 HydrophobicContact CD1-CG 4.4Å; L46-M50 HydrophobicContact CG-SD 4.31Å; L46-M50 WeakPolarHBondContact O-CG 3.44Å; L46-M50 PolarHBondContact O-N 3.04Å; E48-M50 PolarHBondContact O-N 2.81Å; M50-S52 PolarHBondContact O-N 2.97Å; M50-K53 PolarHBondContact O-N 3.34Å; M50-K53 VanDerWaalsContact O-N 3.14Å; M50-E54 WeakPolarHBondContact O-CG 3.35Å; M50-E54 PolarHBondContact O-N 2.81Å |
| 51 | K | 86.6 | Confident | 82.4 | Confident | 94 Ų | 94 | 108.6 Ų | 108.6 | 41% | 0.409 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.5 | -34 | 173.1 | -74.6 | -179.3 | 177.6 | -173.9 | 0 | 112.2 | R47 E48 R55 | R47-K51 WeakPolarHBondContact O-CB 3.29Å; R47-K51 WeakPolarHBondContact O-CG 3.41Å; R47-K51 PolarHBondContact O-N 3.42Å; R47-K51 VanDerWaalsContact O-N 3.08Å; E48-K51 PolarHBondContact O-N 3.02Å; K51-R55 VanDerWaalsContact O-CG 3.26Å; K51-R55 WeakPolarHBondContact O-CG 3Å; K51-R55 PolarHBondContact O-N 3.17Å; K51-R55 PolarHBondContact O-NE 3.37Å |
| 52 | S | 84.9 | Confident | 81.5 | Confident | 55 Ų | 55 | 106 Ų | 106 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.9 | -47.6 | 175.9 | -146.9 | 0 | 0 | 0 | 0 | 112.5 | E48 I49 M50 E54 R55 M56 | E48-S52 WeakPolarHBondContact O-CB 3.19Å; E48-S52 PolarHBondContact O-N 3.06Å; I49-S52 WeakPolarHBondContact O-CB 3.35Å; I49-S52 PolarHBondContact O-N 3.41Å; I49-S52 VanDerWaalsContact O-N 3.16Å; M50-S52 PolarHBondContact O-N 2.97Å; S52-E54 VanDerWaalsContact C-N 3.31Å; S52-E54 PolarHBondContact O-N 3.28Å; S52-R55 PolarHBondContact O-N 3.2Å; S52-M56 WeakPolarHBondContact O-CG 3.48Å; S52-M56 PolarHBondContact O-N 3.13Å |
| 53 | K | 87.2 | Confident | 80.7 | Confident | 156 Ų | 156 | 105.1 Ų | 105.1 | 68% | 0.678 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.9 | -39.5 | 174.7 | -75.6 | -171.6 | 172.9 | -174.6 | 0 | 112.1 | I49 M50 M56 K57 | I49-K53 PolarHBondContact O-N 2.98Å; M50-K53 PolarHBondContact O-N 3.34Å; M50-K53 VanDerWaalsContact O-N 3.14Å; K53-M56 PolarHBondContact O-N 2.81Å; K53-K57 WeakPolarHBondContact O-CB 3.44Å; K53-K57 PolarHBondContact O-N 3.19Å |
| 54 | E | 83.4 | Confident | 79.3 | Confident | 105 Ų | 105 | 108.1 Ų | 108.1 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 174 | -73.1 | 172.6 | -179 | 0 | 0 | 112.5 | M50 S52 M56 K57 M58 | M50-E54 WeakPolarHBondContact O-CG 3.35Å; M50-E54 PolarHBondContact O-N 2.81Å; S52-E54 VanDerWaalsContact C-N 3.31Å; S52-E54 PolarHBondContact O-N 3.28Å; E54-M56 VanDerWaalsContact C-N 3.3Å; E54-M56 PolarHBondContact O-N 3.34Å; E54-K57 PolarHBondContact O-N 2.84Å; E54-M58 WeakPolarHBondContact O-CB 3.34Å; E54-M58 VanDerWaalsContact O-CG 3.31Å; E54-M58 WeakPolarHBondContact O-CG 3.48Å; E54-M58 PolarHBondContact O-N 3.04Å |
| 55 | R | 81.1 | Confident | 78.3 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 45% | 0.449 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 175 | -74.6 | 177.6 | -62.4 | -127 | 4 | 112.3 | K51 S52 | K51-R55 VanDerWaalsContact O-CG 3.26Å; K51-R55 WeakPolarHBondContact O-CG 3Å; K51-R55 PolarHBondContact O-N 3.17Å; K51-R55 PolarHBondContact O-NE 3.37Å; S52-R55 PolarHBondContact O-N 3.2Å |
| 56 | M | 77.5 | Confident | 77 | Confident | 155 Ų | 155 | 105.7 Ų | 105.7 | 76% | 0.764 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.7 | -43.1 | 173.8 | -65.3 | -62.2 | -74.3 | 0 | 0 | 111.7 | S52 K53 E54 M58 G59 | S52-M56 WeakPolarHBondContact O-CG 3.48Å; S52-M56 PolarHBondContact O-N 3.13Å; K53-M56 PolarHBondContact O-N 2.81Å; E54-M56 VanDerWaalsContact C-N 3.3Å; E54-M56 PolarHBondContact O-N 3.34Å; M56-M58 VanDerWaalsContact C-N 3.33Å; M56-M58 PolarHBondContact O-N 3.15Å; M56-G59 PolarHBondContact O-N 3.06Å |
| 57 | K | 84.6 | Confident | 75.8 | Confident | 192 Ų | 192 | 110.4 Ų | 110.4 | 84% | 0.835 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.7 | -31.1 | 178.7 | -170.7 | 177.2 | -178.5 | 179.5 | 0 | 113.5 | K53 E54 G59 | K53-K57 WeakPolarHBondContact O-CB 3.44Å; K53-K57 PolarHBondContact O-N 3.19Å; E54-K57 PolarHBondContact O-N 2.84Å; K57-G59 VanDerWaalsContact C-N 3.33Å |
| 58 | M | 74 | Confident | 74.3 | Confident | 112 Ų | 112 | 115 Ų | 115 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -6 | -177.4 | -73.2 | -66.9 | -128.7 | 0 | 0 | 114.7 | E54 M56 K62 | E54-M58 WeakPolarHBondContact O-CB 3.34Å; E54-M58 VanDerWaalsContact O-CG 3.31Å; E54-M58 WeakPolarHBondContact O-CG 3.48Å; E54-M58 PolarHBondContact O-N 3.04Å; M56-M58 VanDerWaalsContact C-N 3.33Å; M56-M58 PolarHBondContact O-N 3.15Å; M58-K62 HydrophobicContact CB-CB 4.31Å; M58-K62 HydrophobicContact SD-CD 4.31Å |
| 59 | G | 69.1 | Low | 72.8 | Confident | 22 Ų | 22 | 112.9 Ų | 112.9 | 23% | 0.227 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | 74.9 | 161.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | M56 K57 S61 K62 A63 | M56-G59 PolarHBondContact O-N 3.06Å; K57-G59 VanDerWaalsContact C-N 3.33Å; G59-S61 VanDerWaalsContact C-N 3.28Å; G59-S61 PolarHBondContact O-N 2.93Å; G59-K62 PolarHBondContact O-N 3.46Å; G59-A63 WeakPolarHBondContact O-CB 3.37Å; G59-A63 PolarHBondContact O-N 3.09Å; G59-A63 VanDerWaalsContact O-N 3.14Å |
| 60 | P | 64.4 | Low | 71.1 | Confident | 109 Ų | 109 | 113 Ų | 113 | 71% | 0.708 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.6 | -27.2 | -169.9 | 25.2 | -34.6 | 0 | 0 | 0 | 113.8 | K64 | P60-K64 WeakPolarHBondContact O-CB 3.32Å; P60-K64 PolarHBondContact O-N 3.14Å |
| 61 | S | 62.2 | Low | 69.6 | Low | 90 Ų | 90 | 112.1 Ų | 112.1 | 63% | 0.629 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.6 | -44.9 | -179.7 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | G59 K65 | G59-S61 VanDerWaalsContact C-N 3.28Å; G59-S61 PolarHBondContact O-N 2.93Å; S61-K65 PolarHBondContact O-N 3.43Å |
| 62 | K | 62.7 | Low | 68 | Low | 122 Ų | 122 | 114.2 Ų | 114.2 | 53% | 0.53 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.3 | -36.3 | 176.8 | -63.6 | -175.4 | -179.4 | 177.3 | 0 | 111.5 | M58 G59 K64 K65 M66 | M58-K62 HydrophobicContact CB-CB 4.31Å; M58-K62 HydrophobicContact SD-CD 4.31Å; G59-K62 PolarHBondContact O-N 3.46Å; K62-K64 PolarHBondContact O-N 2.94Å; K62-K65 PolarHBondContact O-N 3.03Å; K62-K65 VanDerWaalsContact O-N 3.11Å; K62-M66 PolarHBondContact O-N 3.29Å |
| 63 | A | 63.9 | Low | 66.5 | Low | 27 Ų | 27 | 115.6 Ų | 115.6 | 22% | 0.223 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -60.9 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G59 K65 R67 | G59-A63 WeakPolarHBondContact O-CB 3.37Å; G59-A63 PolarHBondContact O-N 3.09Å; G59-A63 VanDerWaalsContact O-N 3.14Å; A63-K65 VanDerWaalsContact C-N 3.31Å; A63-K65 PolarHBondContact O-N 3.28Å; A63-R67 WeakPolarHBondContact O-CB 3.46Å; A63-R67 PolarHBondContact O-N 2.86Å |
| 64 | K | 63.2 | Low | 64.9 | Low | 159 Ų | 159 | 115.3 Ų | 115.3 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.7 | -35.6 | 171.9 | -84.4 | -177.6 | 174.4 | 178.2 | 0 | 112.6 | P60 K62 K68 | P60-K64 WeakPolarHBondContact O-CB 3.32Å; P60-K64 PolarHBondContact O-N 3.14Å; K62-K64 PolarHBondContact O-N 2.94Å; K64-K68 PolarHBondContact O-N 3.18Å |
| 65 | K | 64.3 | Low | 62.8 | Low | 166 Ų | 166 | 112.8 Ų | 112.8 | 72% | 0.722 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.9 | -41.4 | -179.9 | -147.4 | 172.8 | -172.1 | 179.4 | 0 | 111.9 | S61 K62 A63 K68 A69 | S61-K65 PolarHBondContact O-N 3.43Å; K62-K65 PolarHBondContact O-N 3.03Å; K62-K65 VanDerWaalsContact O-N 3.11Å; A63-K65 VanDerWaalsContact C-N 3.31Å; A63-K65 PolarHBondContact O-N 3.28Å; K65-K68 PolarHBondContact O-N 3.45Å; K65-A69 PolarHBondContact O-N 3.06Å; K65-A69 VanDerWaalsContact O-N 3.09Å |
| 66 | M | 62.8 | Low | 61.1 | Low | 126 Ų | 126 | 112.9 Ų | 112.9 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.5 | -42.7 | 172.3 | -63.3 | -162.5 | 83.7 | 0 | 0 | 111.8 | K62 K68 A69 D70 | K62-M66 PolarHBondContact O-N 3.29Å; M66-K68 PolarHBondContact O-N 3.25Å; M66-A69 CarbonylContact O-C 3.55Å; M66-A69 WeakPolarHBondContact O-CA 3.44Å; M66-A69 PolarHBondContact O-N 3.12Å; M66-D70 WeakPolarHBondContact O-CB 3.44Å; M66-D70 VanDerWaalsContact O-CG 3.24Å; M66-D70 PolarHBondContact O-N 3.43Å |
| 67 | R | 62.9 | Low | 59.7 | Low | 190 Ų | 190 | 114.3 Ų | 114.3 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.7 | -31.7 | 172 | -79.1 | -168.6 | 177.1 | -166.7 | 0.6 | 113.3 | A63 A71 | A63-R67 WeakPolarHBondContact O-CB 3.46Å; A63-R67 PolarHBondContact O-N 2.86Å; R67-A71 WeakPolarHBondContact O-CB 3.5Å; R67-A71 PolarHBondContact O-N 2.92Å |
| 68 | K | 58.6 | Low | 57.6 | Low | 155 Ų | 155 | 110.8 Ų | 110.8 | 67% | 0.674 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.5 | -39.5 | 170.1 | -83.2 | -169.4 | 172.7 | -169.8 | 0 | 112.6 | K64 K65 M66 A71 I72 | K64-K68 PolarHBondContact O-N 3.18Å; K65-K68 PolarHBondContact O-N 3.45Å; M66-K68 PolarHBondContact O-N 3.25Å; K68-A71 CarbonylContact O-C 3.57Å; K68-I72 WeakPolarHBondContact O-CB 3.43Å; K68-I72 WeakPolarHBondContact O-CD1 3.41Å; K68-I72 WeakPolarHBondContact O-CG1 3.38Å; K68-I72 PolarHBondContact O-N 2.88Å |
| 69 | A | 56.2 | Low | 56.3 | Low | 57 Ų | 57 | 115.2 Ų | 115.2 | 47% | 0.471 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.9 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | K65 M66 A71 I72 A73 | K65-A69 PolarHBondContact O-N 3.06Å; K65-A69 VanDerWaalsContact O-N 3.09Å; M66-A69 CarbonylContact O-C 3.55Å; M66-A69 WeakPolarHBondContact O-CA 3.44Å; M66-A69 PolarHBondContact O-N 3.12Å; A69-A71 VanDerWaalsContact C-N 3.33Å; A69-A71 PolarHBondContact O-N 3.08Å; A69-I72 PolarHBondContact O-N 2.97Å; A69-A73 PolarHBondContact O-N 3.21Å |
| 70 | D | 56.2 | Low | 54.9 | Low | 89 Ų | 89 | 118.7 Ų | 118.7 | 48% | 0.476 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.5 | -38.4 | 174.8 | -59.9 | -28.2 | 0 | 0 | 0 | 110.7 | M66 I72 A73 L74 | M66-D70 WeakPolarHBondContact O-CB 3.44Å; M66-D70 VanDerWaalsContact O-CG 3.24Å; M66-D70 PolarHBondContact O-N 3.43Å; D70-I72 VanDerWaalsContact C-N 3.33Å; D70-A73 CarbonylContact O-C 3.58Å; D70-A73 PolarHBondContact O-N 2.8Å; D70-L74 WeakPolarHBondContact O-CB 3.29Å; D70-L74 VanDerWaalsContact O-CD1 3.31Å; D70-L74 WeakPolarHBondContact O-CD1 3.47Å; D70-L74 PolarHBondContact O-N 2.82Å |
| 71 | A | 54.9 | Low | 53.9 | Low | 55 Ų | 55 | 117.1 Ų | 117.1 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -76.1 | -13.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | R67 K68 A69 A75 | R67-A71 WeakPolarHBondContact O-CB 3.5Å; R67-A71 PolarHBondContact O-N 2.92Å; K68-A71 CarbonylContact O-C 3.57Å; A69-A71 VanDerWaalsContact C-N 3.33Å; A69-A71 PolarHBondContact O-N 3.08Å; A71-A75 WeakPolarHBondContact O-CA 3.49Å; A71-A75 WeakPolarHBondContact O-CB 3.45Å; A71-A75 PolarHBondContact O-N 2.96Å |
| 72 | I | 54 | Low | 52.9 | Low | 137 Ų | 137 | 120.8 Ų | 120.8 | 70% | 0.703 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -82.4 | -28.3 | 166.4 | -73.9 | 160.8 | 0 | 0 | 0 | 110 | K68 A69 D70 | K68-I72 WeakPolarHBondContact O-CB 3.43Å; K68-I72 WeakPolarHBondContact O-CD1 3.41Å; K68-I72 WeakPolarHBondContact O-CG1 3.38Å; K68-I72 PolarHBondContact O-N 2.88Å; A69-I72 PolarHBondContact O-N 2.97Å; D70-I72 VanDerWaalsContact C-N 3.33Å |
| 73 | A | 53.4 | Low | 52.1 | Low | 85 Ų | 85 | 118.1 Ų | 118.1 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.6 | -27.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | A69 D70 | A69-A73 PolarHBondContact O-N 3.21Å; D70-A73 CarbonylContact O-C 3.58Å; D70-A73 PolarHBondContact O-N 2.8Å |
| 74 | L | 52.8 | Low | 51.4 | Low | 149 Ų | 149 | 121.5 Ų | 121.5 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -102 | -5.9 | 175 | -87.6 | 95.6 | 0 | 0 | 0 | 114.4 | D70 | D70-L74 WeakPolarHBondContact O-CB 3.29Å; D70-L74 VanDerWaalsContact O-CD1 3.31Å; D70-L74 WeakPolarHBondContact O-CD1 3.47Å; D70-L74 PolarHBondContact O-N 2.82Å |
| 75 | A | 40.9 | Very low | 50.8 | Low | 53 Ų | 53 | 122.5 Ų | 122.5 | 44% | 0.438 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -64.8 | 129.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | A71 K77 | A71-A75 WeakPolarHBondContact O-CA 3.49Å; A71-A75 WeakPolarHBondContact O-CB 3.45Å; A71-A75 PolarHBondContact O-N 2.96Å; A75-K77 PolarHBondContact O-N 3.43Å |
| 76 | P | 43.6 | Very low | 50.5 | Low | 120 Ų | 120 | 119 Ų | 119 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129.2 | 158.4 | 7.6 | 1.5 | 0 | 0 | 0 | 107 | ||
| 77 | K | 49.2 | Very low | 51 | Low | 185 Ų | 185 | 117.6 Ų | 117.6 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 140 | 167.4 | -66 | -123.2 | -179.8 | 175 | 0 | 108 | A75 K79 | A75-K77 PolarHBondContact O-N 3.43Å; K77-K79 PolarHBondContact O-N 2.97Å; K77-K79 VanDerWaalsContact O-N 3.12Å |
| 78 | P | 41 | Very low | 51.9 | Low | 119 Ų | 119 | 109.8 Ų | 109.8 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 124.4 | 176.3 | 25.4 | -33.7 | 0 | 0 | 0 | 107.7 | P80 | P78-P80 WeakPolarHBondContact O-CD 3.34Å; P78-P80 VanDerWaalsContact O-N 3.07Å |
| 79 | K | 46.1 | Very low | 52.9 | Low | 204 Ų | 204 | 107 Ų | 107 | 89% | 0.887 | 64% | 0.642 | S | S | * | * | trans | -54.6 | 113.7 | -177 | -69.6 | -178.4 | 176.1 | -176.7 | 0 | 109.6 | K77 | K77-K79 PolarHBondContact O-N 2.97Å; K77-K79 VanDerWaalsContact O-N 3.12Å | ||
| 80 | P | 40.1 | Very low | 54.3 | Low | 96 Ų | 96 | 110 Ų | 110 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | trans | -74.3 | 129.9 | 149.9 | 9.9 | 9.9 | 0 | 0 | 0 | 106.3 | P78 D82 | P78-P80 WeakPolarHBondContact O-CD 3.34Å; P78-P80 VanDerWaalsContact O-N 3.07Å; P80-D82 PolarHBondContact O-N 2.93Å | ||
| 81 | G | 42.5 | Very low | 55.7 | Low | 76 Ų | 76 | 107.5 Ų | 107.5 | 78% | 0.784 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -63.6 | 128.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | A83 | G81-A83 PolarHBondContact O-N 3.37Š|
| 82 | D | 42.7 | Very low | 57.3 | Low | 166 Ų | 166 | 112.5 Ų | 112.5 | 89% | 0.888 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 31.8 | 69 | 173.9 | -69.6 | -25 | 0 | 0 | 0 | 117 | P80 | P80-D82 PolarHBondContact O-N 2.93Š|
| 83 | A | 45.5 | Very low | 58.9 | Low | 67 Ų | 67 | 110 Ų | 110 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | trans | -115.6 | 89.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | G81 I85 | G81-A83 PolarHBondContact O-N 3.37Å; A83-I85 PolarHBondContact O-N 3.24Å | ||
| 84 | T | 48 | Very low | 60.8 | Low | 97 Ų | 97 | 115.6 Ų | 115.6 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | trans | -52.4 | 139.8 | 160.3 | 49.3 | 0 | 0 | 0 | 0 | 107.7 | V86 D87 | T84-V86 PolarHBondContact O-N 3.05Å; T84-D87 PolarHBondContact O-N 3.01Å; T84-D87 VanDerWaalsContact O-N 3.11Å | ||
| 85 | I | 51.8 | Low | 62.7 | Low | 180 Ų | 180 | 115.8 Ų | 115.8 | 92% | 0.923 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -7.2 | -169.3 | -66.3 | 164.3 | 0 | 0 | 0 | 113.2 | A83 | A83-I85 PolarHBondContact O-N 3.24Š|
| 86 | V | 57.9 | Low | 65.1 | Low | 93 Ų | 93 | 119.4 Ų | 119.4 | 56% | 0.564 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -18.7 | -174.7 | -160.9 | 0 | 0 | 0 | 0 | 113 | T84 Q122 R125 | T84-V86 PolarHBondContact O-N 3.05Å; V86-Q122 PolarHBondContact O-NE2 2.92Å; V86-R125 PolarHBondContact O-NH2 3.46Å |
| 87 | D | 72.8 | Confident | 67.3 | Low | 96 Ų | 96 | 124.4 Ų | 124.4 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -102 | 140.5 | -170.2 | -145.1 | 15.6 | 0 | 0 | 0 | 116 | T84 R125 | T84-D87 PolarHBondContact O-N 3.01Å; T84-D87 VanDerWaalsContact O-N 3.11Å; D87-R125 IonicContact OD1-CZ 3.85Å; D87-R125 IonicContact OD1-NH1 3.25Å; D87-R125 PolarHBondContact OD1-NH1 3.16Å; D87-R125 VanDerWaalsContact OD1-NH1 3.09Å; D87-R125 IonicContact OD1-NH2 3.32Å; D87-R125 PolarHBondContact OD1-NH2 2.92Å |
| 88 | I | 80.8 | Confident | 69.4 | Low | 26 Ų | 26 | 125.8 Ų | 125.8 | 13% | 0.133 | 66% | 0.655 | C | S | . | * | P | Polyproline II helix | trans | -84.8 | 126 | -175.2 | -72.7 | 161.7 | 0 | 0 | 0 | 109.2 | V90 V115 L118 T119 Q122 | I88-V90 PolarHBondContact O-N 2.82Å; I88-V115 HydrophobicContact CG2-CG1 4.1Å; I88-V115 HydrophobicContact CG2-CG2 4.2Å; I88-L118 HydrophobicContact CD1-CB 3.58Å; I88-L118 HydrophobicContact CG1-CB 3.77Å; I88-L118 HydrophobicContact CG1-CD1 4.37Å; I88-L118 HydrophobicContact CG2-CD1 4.25Å; I88-T119 VanDerWaalsContact CD1-N 3.27Å; I88-T119 WeakPolarHBondContact CD1-OG1 3.27Å; I88-Q122 HydrophobicContact CD1-CG 4.13Å |
| 89 | P | 81.2 | Confident | 71.8 | Confident | 98 Ų | 98 | 121.7 Ų | 121.7 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 122.5 | 177.9 | 27.2 | -34.2 | 0 | 0 | 0 | 110.5 | P91 | P89-P91 VanDerWaalsContact O-CD 3.25Å; P89-P91 WeakPolarHBondContact O-CD 3.48Å |
| 90 | V | 84.5 | Confident | 74.2 | Confident | 118 Ų | 118 | 115.3 Ų | 115.3 | 72% | 0.715 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 116.3 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | I88 | I88-V90 PolarHBondContact O-N 2.82Š|
| 91 | P | 87.1 | Confident | 76.7 | Confident | 37 Ų | 37 | 116.6 Ų | 116.6 | 24% | 0.24 | 60% | 0.604 | C | S | . | * | P | Polyproline II helix | trans | -73.3 | 140.2 | -179.5 | -17.1 | 32.3 | 0 | 0 | 0 | 112.2 | P89 F93 E111 V115 | P89-P91 VanDerWaalsContact O-CD 3.25Å; P89-P91 WeakPolarHBondContact O-CD 3.48Å; P91-F93 HydrophobicContact CB-CD1 4.49Å; P91-F93 HydrophobicContact CB-CE1 3.85Å; P91-F93 HydrophobicContact CB-CZ 3.92Å; P91-F93 HydrophobicContact CG-CZ 4.26Å; P91-E111 HydrophobicContact CB-CB 4.39Å; P91-E111 HydrophobicContact CG-CB 4.49Å; P91-V115 HydrophobicContact CG-CG2 3.45Å; P91-V115 VanDerWaalsContact CG-CG2 3.45Å |
| 92 | H | 87.3 | Confident | 79.2 | Confident | 160 Ų | 160 | 121.6 Ų | 121.6 | 74% | 0.741 | 60% | 0.604 | S | S | * | * | trans | -93.9 | 100.5 | 174.6 | -66.6 | -51.9 | 0 | 0 | 0 | 111.6 | R94 | H92-R94 VanDerWaalsContact C-N 3.34Å; H92-R94 PolarHBondContact O-N 2.7Å | ||
| 93 | F | 88.7 | Confident | 81.7 | Confident | 84 Ų | 84 | 115.9 Ų | 115.9 | 37% | 0.368 | 58% | 0.575 | S | S | . | * | trans | -75 | 80.8 | 178 | -56.9 | -52.3 | 0 | 0 | 0 | 112.3 | P91 Y104 M108 E111 A112 | P91-F93 HydrophobicContact CB-CD1 4.49Å; P91-F93 HydrophobicContact CB-CE1 3.85Å; P91-F93 HydrophobicContact CB-CZ 3.92Å; P91-F93 HydrophobicContact CG-CZ 4.26Å; F93-Y104 PolarHBondContact O-OH 3.24Å; F93-M108 HydrophobicContact CB-CG 4.41Å; F93-M108 HydrophobicContact CD1-CB 4.08Å; F93-M108 HydrophobicContact CD1-CG 3.63Å; F93-M108 HydrophobicContact CD2-CG 4.45Å; F93-M108 HydrophobicContact CE1-CB 4.37Å; F93-M108 HydrophobicContact CE1-CG 3.93Å; F93-M108 HydrophobicContact CG-CG 3.91Å; F93-M108 HydrophobicContact CZ-CG 4.47Å; F93-E111 HydrophobicContact CE1-CB 3.73Å; F93-E111 WeakPolarHBondContact CE1-OE2 3Å; F93-E111 HydrophobicContact CZ-CB 4.38Å; F93-A112 HydrophobicContact CZ-CB 4.32Å | ||
| 94 | R | 92.1 | Very high | 84.1 | Confident | 204 Ų | 204 | 114.6 Ų | 114.6 | 77% | 0.77 | 56% | 0.557 | S | S | * | * | trans | -121.7 | 135.5 | 168.8 | -59.7 | -174.5 | 73.6 | 179.9 | 4.3 | 110.1 | H92 R107 | H92-R94 VanDerWaalsContact C-N 3.34Å; H92-R94 PolarHBondContact O-N 2.7Å; R94-R107 PolarHBondContact O-NH2 2.94Å | ||
| 95 | R | 92.9 | Very high | 86.3 | Confident | 153 Ų | 153 | 114 Ų | 114 | 58% | 0.577 | 55% | 0.549 | S | S | * | . | trans | -70.1 | 130.9 | 174.8 | -173.3 | 168.9 | 77.3 | -173.4 | 5.7 | 110.1 | E99 Y104 | R95-E99 HydrophobicContact CG-CB 4.28Å; R95-E99 HydrophobicContact CG-CG 4.47Å; R95-Y104 HydrophobicContact CB-CD2 3.81Å; R95-Y104 HydrophobicContact CB-CE2 4.2Å; R95-Y104 HydrophobicContact CB-CG 4Å; R95-Y104 HydrophobicContact CG-CD2 4.28Å; R95-Y104 HydrophobicContact CG-CG 4.12Å | ||
| 96 | K | 91.3 | Very high | 88.4 | Confident | 128 Ų | 128 | 113.1 Ų | 113.1 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | trans | -79.7 | 154 | -179.2 | -59.8 | 170.9 | -177.3 | 173.8 | 0 | 110.9 | K98 E99 | K96-K98 PolarHBondContact O-N 3.38Å; K96-E99 HydrophobicContact CB-CB 3.87Å; K96-E99 PolarHBondContact N-OE2 2.91Å; K96-E99 WeakPolarHBondContact O-CB 3.29Å; K96-E99 PolarHBondContact O-N 3.41Å | ||
| 97 | K | 90.5 | Very high | 90.1 | Very high | 225 Ų | 225 | 110.7 Ų | 110.7 | 98% | 0.978 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.9 | -174.7 | -68 | -173.6 | 176.2 | -175.4 | 0 | 115.7 | ||
| 98 | K | 91.9 | Very high | 91.2 | Very high | 214 Ų | 214 | 109.1 Ų | 109.1 | 93% | 0.93 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | 16.8 | 179.3 | -61.2 | -172.9 | 176.7 | -173.8 | 0 | 113 | K96 | K96-K98 PolarHBondContact O-N 3.38Š|
| 99 | E | 92.8 | Very high | 91.9 | Very high | 33 Ų | 33 | 109.1 Ų | 109.1 | 15% | 0.154 | 51% | 0.512 | C | S | . | . | trans | -100 | 124.5 | -176.7 | -177.8 | 174.6 | -133.6 | 0 | 0 | 109.8 | R95 K96 T103 R107 | R95-E99 HydrophobicContact CG-CB 4.28Å; R95-E99 HydrophobicContact CG-CG 4.47Å; K96-E99 HydrophobicContact CB-CB 3.87Å; K96-E99 PolarHBondContact N-OE2 2.91Å; K96-E99 WeakPolarHBondContact O-CB 3.29Å; K96-E99 PolarHBondContact O-N 3.41Å; E99-T103 WeakPolarHBondContact CG-OG1 3.36Å; E99-R107 IonicContact OE1-CZ 3.05Å; E99-R107 IonicContact OE1-NE 3.43Å; E99-R107 PolarHBondContact OE1-NE 3.17Å; E99-R107 IonicContact OE1-NH2 2.79Å; E99-R107 PolarHBondContact OE1-NH2 3.38Å; E99-R107 IonicContact OE2-CZ 2.95Å; E99-R107 IonicContact OE2-NE 3.94Å; E99-R107 IonicContact OE2-NH2 2.75Å; E99-R107 PolarHBondContact OE2-NH2 3.33Å | ||
| 100 | S | 95.2 | Very high | 92.5 | Very high | 70 Ų | 70 | 108.9 Ų | 108.9 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | trans | -72.7 | 154.8 | 173.8 | 68 | 0 | 0 | 0 | 0 | 110.7 | K102 T103 Y104 | S100-K102 VanDerWaalsContact C-N 3.32Å; S100-K102 PolarHBondContact O-N 3.48Å; S100-T103 PolarHBondContact N-OG1 2.85Å; S100-T103 VanDerWaalsContact N-OG1 3.07Å; S100-T103 PolarHBondContact O-N 3.19Å; S100-T103 PolarHBondContact O-OG1 2.78Å; S100-T103 PolarHBondContact OG-OG1 3.48Å; S100-Y104 PolarHBondContact O-N 3.03Å | ||
| 101 | E | 93.4 | Very high | 92.9 | Very high | 123 Ų | 123 | 105.9 Ų | 105.9 | 58% | 0.575 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -56.5 | -43.3 | -177.6 | -172.2 | 174.8 | 170.2 | 0 | 0 | 113.4 | T103 Y104 L105 | E101-T103 VanDerWaalsContact C-N 3.29Å; E101-T103 PolarHBondContact O-N 2.88Å; E101-Y104 WeakPolarHBondContact O-CB 3.22Å; E101-Y104 PolarHBondContact O-N 2.89Å; E101-L105 HydrophobicContact CG-CD1 4.26Å; E101-L105 WeakPolarHBondContact O-CG 3.37Å; E101-L105 PolarHBondContact O-N 2.98Å |
| 102 | K | 94.9 | Very high | 93.2 | Very high | 181 Ų | 181 | 106.2 Ų | 106.2 | 79% | 0.787 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.2 | -35.3 | 175.5 | -64.3 | -175 | 179.1 | -178.1 | 0 | 112.8 | S100 R106 | S100-K102 VanDerWaalsContact C-N 3.32Å; S100-K102 PolarHBondContact O-N 3.48Å; K102-R106 WeakPolarHBondContact O-CB 3.49Å; K102-R106 PolarHBondContact O-N 3.03Å |
| 103 | T | 95.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 105.1 Ų | 105.1 | 28% | 0.282 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -76.5 | -34.7 | 176.9 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | E99 S100 E101 R107 | E99-T103 WeakPolarHBondContact CG-OG1 3.36Å; S100-T103 PolarHBondContact N-OG1 2.85Å; S100-T103 VanDerWaalsContact N-OG1 3.07Å; S100-T103 PolarHBondContact O-N 3.19Å; S100-T103 PolarHBondContact O-OG1 2.78Å; S100-T103 PolarHBondContact OG-OG1 3.48Å; E101-T103 VanDerWaalsContact C-N 3.29Å; E101-T103 PolarHBondContact O-N 2.88Å; T103-R107 WeakPolarHBondContact O-CB 3.34Å; T103-R107 PolarHBondContact O-N 2.89Å |
| 104 | Y | 95.3 | Very high | 93.6 | Very high | 41 Ų | 41 | 106.3 Ų | 106.3 | 16% | 0.161 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -60.9 | -52.5 | 170.7 | 170.4 | -106.6 | 0 | 0 | 0 | 112.4 | F93 R95 S100 E101 R106 R107 M108 | F93-Y104 PolarHBondContact O-OH 3.24Å; R95-Y104 HydrophobicContact CB-CD2 3.81Å; R95-Y104 HydrophobicContact CB-CE2 4.2Å; R95-Y104 HydrophobicContact CB-CG 4Å; R95-Y104 HydrophobicContact CG-CD2 4.28Å; R95-Y104 HydrophobicContact CG-CG 4.12Å; S100-Y104 PolarHBondContact O-N 3.03Å; E101-Y104 WeakPolarHBondContact O-CB 3.22Å; E101-Y104 PolarHBondContact O-N 2.89Å; Y104-R106 VanDerWaalsContact C-N 3.31Å; Y104-R106 PolarHBondContact O-N 3.29Å; Y104-R107 PolarHBondContact O-N 3.22Å; Y104-R107 VanDerWaalsContact O-N 3.12Å; Y104-M108 HydrophobicContact CE1-SD 4.17Å; Y104-M108 WeakPolarHBondContact O-CB 3.49Å; Y104-M108 PolarHBondContact O-N 3.41Å |
| 105 | L | 95.4 | Very high | 93.6 | Very high | 84 Ų | 84 | 98.4 Ų | 98.4 | 44% | 0.44 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 180 | -69.4 | 172.5 | 0 | 0 | 0 | 111.9 | E101 M108 G109 | E101-L105 HydrophobicContact CG-CD1 4.26Å; E101-L105 WeakPolarHBondContact O-CG 3.37Å; E101-L105 PolarHBondContact O-N 2.98Å; L105-M108 HydrophobicContact CD2-CE 3.95Å; L105-G109 PolarHBondContact O-N 2.91Å |
| 106 | R | 95.3 | Very high | 93.5 | Very high | 161 Ų | 161 | 95.5 Ų | 95.5 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63 | -44 | 174.5 | -172.5 | 179.8 | 69.1 | -155.7 | 2.6 | 112.2 | K102 Y104 G109 N110 | K102-R106 WeakPolarHBondContact O-CB 3.49Å; K102-R106 PolarHBondContact O-N 3.03Å; Y104-R106 VanDerWaalsContact C-N 3.31Å; Y104-R106 PolarHBondContact O-N 3.29Å; R106-G109 PolarHBondContact O-N 3.41Å; R106-N110 WeakPolarHBondContact O-CB 3.48Å; R106-N110 PolarHBondContact O-N 2.98Å; R106-N110 PolarHBondContact O-OD1 2.83Å |
| 107 | R | 94.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 95.1 Ų | 95.1 | 16% | 0.158 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65 | -47.1 | 178.2 | 177.9 | 173.3 | 62.7 | 77.5 | -0.4 | 111.4 | R94 E99 T103 Y104 G109 N110 E111 | R94-R107 PolarHBondContact O-NH2 2.94Å; E99-R107 IonicContact OE1-CZ 3.05Å; E99-R107 IonicContact OE1-NE 3.43Å; E99-R107 PolarHBondContact OE1-NE 3.17Å; E99-R107 IonicContact OE1-NH2 2.79Å; E99-R107 PolarHBondContact OE1-NH2 3.38Å; E99-R107 IonicContact OE2-CZ 2.95Å; E99-R107 IonicContact OE2-NE 3.94Å; E99-R107 IonicContact OE2-NH2 2.75Å; E99-R107 PolarHBondContact OE2-NH2 3.33Å; T103-R107 WeakPolarHBondContact O-CB 3.34Å; T103-R107 PolarHBondContact O-N 2.89Å; Y104-R107 PolarHBondContact O-N 3.22Å; Y104-R107 VanDerWaalsContact O-N 3.12Å; R107-G109 VanDerWaalsContact C-N 3.34Å; R107-G109 PolarHBondContact O-N 3.01Å; R107-N110 PolarHBondContact O-N 3.31Å; R107-E111 WeakPolarHBondContact CD-OE1 3.49Å; R107-E111 HydrophobicContact CG-CG 4.31Å; R107-E111 WeakPolarHBondContact CG-OE1 3.31Å; R107-E111 IonicContact CZ-OE1 3.69Å; R107-E111 IonicContact NE-OE1 3.34Å; R107-E111 IonicContact NH1-OE1 3.24Å; R107-E111 PolarHBondContact NH1-OE1 3.37Å; R107-E111 IonicContact NH1-OE2 3.79Å; R107-E111 PolarHBondContact NH1-OE2 3.41Å; R107-E111 WeakPolarHBondContact O-CB 3.39Å; R107-E111 WeakPolarHBondContact O-CG 3.26Å; R107-E111 PolarHBondContact O-N 3.23Å |
| 108 | M | 94.7 | Very high | 93.5 | Very high | 64 Ų | 64 | 86.9 Ų | 86.9 | 32% | 0.315 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.1 | -46.8 | 175.4 | -178.3 | -168.8 | 81.6 | 0 | 0 | 111.3 | F93 Y104 L105 E111 A112 | F93-M108 HydrophobicContact CB-CG 4.41Å; F93-M108 HydrophobicContact CD1-CB 4.08Å; F93-M108 HydrophobicContact CD1-CG 3.63Å; F93-M108 HydrophobicContact CD2-CG 4.45Å; F93-M108 HydrophobicContact CE1-CB 4.37Å; F93-M108 HydrophobicContact CE1-CG 3.93Å; F93-M108 HydrophobicContact CG-CG 3.91Å; F93-M108 HydrophobicContact CZ-CG 4.47Å; Y104-M108 HydrophobicContact CE1-SD 4.17Å; Y104-M108 WeakPolarHBondContact O-CB 3.49Å; Y104-M108 PolarHBondContact O-N 3.41Å; L105-M108 HydrophobicContact CD2-CE 3.95Å; M108-E111 PolarHBondContact O-N 3.36Å; M108-A112 VanDerWaalsContact O-CB 3.31Å; M108-A112 WeakPolarHBondContact O-CB 3.39Å; M108-A112 PolarHBondContact O-N 3.18Å |
| 109 | G | 94.9 | Very high | 93.2 | Very high | 26 Ų | 26 | 80 Ų | 80 | 27% | 0.268 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L105 R106 R107 A112 Q113 | L105-G109 PolarHBondContact O-N 2.91Å; R106-G109 PolarHBondContact O-N 3.41Å; R107-G109 VanDerWaalsContact C-N 3.34Å; R107-G109 PolarHBondContact O-N 3.01Å; G109-A112 PolarHBondContact O-N 3.09Å; G109-Q113 WeakPolarHBondContact O-CB 3.41Å; G109-Q113 WeakPolarHBondContact O-CG 3.38Å; G109-Q113 PolarHBondContact O-N 3.03Å |
| 110 | N | 94.3 | Very high | 92.9 | Very high | 92 Ų | 92 | 86 Ų | 86 | 49% | 0.492 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 177.8 | -68.2 | 5.2 | 0 | 0 | 0 | 112.2 | R106 R107 Q113 H114 | R106-N110 WeakPolarHBondContact O-CB 3.48Å; R106-N110 PolarHBondContact O-N 2.98Å; R106-N110 PolarHBondContact O-OD1 2.83Å; R107-N110 PolarHBondContact O-N 3.31Å; N110-Q113 PolarHBondContact O-N 2.87Å; N110-H114 WeakPolarHBondContact O-CB 3.48Å; N110-H114 PolarHBondContact O-N 3.45Å |
| 111 | E | 93.6 | Very high | 92.3 | Very high | 56 Ų | 56 | 87.8 Ų | 87.8 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 176.9 | -77.6 | 169.8 | -163.6 | 0 | 0 | 111 | P91 F93 R107 M108 H114 V115 | P91-E111 HydrophobicContact CB-CB 4.39Å; P91-E111 HydrophobicContact CG-CB 4.49Å; F93-E111 HydrophobicContact CE1-CB 3.73Å; F93-E111 WeakPolarHBondContact CE1-OE2 3Å; F93-E111 HydrophobicContact CZ-CB 4.38Å; R107-E111 WeakPolarHBondContact CD-OE1 3.49Å; R107-E111 HydrophobicContact CG-CG 4.31Å; R107-E111 WeakPolarHBondContact CG-OE1 3.31Å; R107-E111 IonicContact CZ-OE1 3.69Å; R107-E111 IonicContact NE-OE1 3.34Å; R107-E111 IonicContact NH1-OE1 3.24Å; R107-E111 PolarHBondContact NH1-OE1 3.37Å; R107-E111 IonicContact NH1-OE2 3.79Å; R107-E111 PolarHBondContact NH1-OE2 3.41Å; R107-E111 WeakPolarHBondContact O-CB 3.39Å; R107-E111 WeakPolarHBondContact O-CG 3.26Å; R107-E111 PolarHBondContact O-N 3.23Å; M108-E111 PolarHBondContact O-N 3.36Å; E111-H114 PolarHBondContact O-N 3.07Å; E111-V115 WeakPolarHBondContact O-CG2 3.38Å; E111-V115 PolarHBondContact O-N 2.95Å |
| 112 | A | 93.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 85 Ų | 85 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F93 M108 G109 H114 V115 L116 | F93-A112 HydrophobicContact CZ-CB 4.32Å; M108-A112 VanDerWaalsContact O-CB 3.31Å; M108-A112 WeakPolarHBondContact O-CB 3.39Å; M108-A112 PolarHBondContact O-N 3.18Å; G109-A112 PolarHBondContact O-N 3.09Å; A112-H114 VanDerWaalsContact C-N 3.28Å; A112-H114 PolarHBondContact O-N 3.36Å; A112-V115 PolarHBondContact O-N 2.84Å; A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 PolarHBondContact O-N 3.43Å |
| 113 | Q | 93.8 | Very high | 90.5 | Very high | 137 Ų | 137 | 83.8 Ų | 83.8 | 64% | 0.64 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.5 | -38.8 | 172.8 | -75.6 | 176.7 | -6.2 | 0 | 0 | 111.8 | G109 N110 L116 F117 | G109-Q113 WeakPolarHBondContact O-CB 3.41Å; G109-Q113 WeakPolarHBondContact O-CG 3.38Å; G109-Q113 PolarHBondContact O-N 3.03Å; N110-Q113 PolarHBondContact O-N 2.87Å; Q113-L116 PolarHBondContact O-N 3.27Å; Q113-F117 WeakPolarHBondContact O-CB 3.23Å; Q113-F117 PolarHBondContact O-N 2.93Å |
| 114 | H | 91.3 | Very high | 89.3 | Confident | 108 Ų | 108 | 88.3 Ų | 88.3 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 178.5 | -174.8 | 51 | 0 | 0 | 0 | 112.4 | N110 E111 A112 F117 L118 | N110-H114 WeakPolarHBondContact O-CB 3.48Å; N110-H114 PolarHBondContact O-N 3.45Å; E111-H114 PolarHBondContact O-N 3.07Å; A112-H114 VanDerWaalsContact C-N 3.28Å; A112-H114 PolarHBondContact O-N 3.36Å; H114-F117 WeakPolarHBondContact O-CB 3.3Å; H114-F117 PolarHBondContact O-N 3.43Å; H114-L118 WeakPolarHBondContact O-CG 3.38Å; H114-L118 PolarHBondContact O-N 2.7Å |
| 115 | V | 91.4 | Very high | 88.1 | Confident | 38 Ų | 38 | 92.6 Ų | 92.6 | 23% | 0.23 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 172.5 | 167 | 0 | 0 | 0 | 0 | 110.7 | I88 P91 E111 A112 F117 L118 T119 | I88-V115 HydrophobicContact CG2-CG1 4.1Å; I88-V115 HydrophobicContact CG2-CG2 4.2Å; P91-V115 HydrophobicContact CG-CG2 3.45Å; P91-V115 VanDerWaalsContact CG-CG2 3.45Å; E111-V115 WeakPolarHBondContact O-CG2 3.38Å; E111-V115 PolarHBondContact O-N 2.95Å; A112-V115 PolarHBondContact O-N 2.84Å; V115-F117 VanDerWaalsContact C-N 3.28Å; V115-F117 PolarHBondContact O-N 2.99Å; V115-L118 PolarHBondContact O-N 2.9Å; V115-L118 VanDerWaalsContact O-N 3.08Å; V115-T119 PolarHBondContact O-N 3.14Å; V115-T119 PolarHBondContact O-OG1 3.38Å |
| 116 | L | 90.6 | Very high | 86.6 | Confident | 93 Ų | 93 | 94.8 Ų | 94.8 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 177.9 | -179.3 | 63 | 0 | 0 | 0 | 112.3 | A112 Q113 K120 | A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 PolarHBondContact O-N 3.43Å; Q113-L116 PolarHBondContact O-N 3.27Å; L116-K120 HydrophobicContact CG-CD 4.44Å; L116-K120 VanDerWaalsContact O-CG 3.32Å; L116-K120 WeakPolarHBondContact O-CG 3.3Å; L116-K120 PolarHBondContact O-N 3.49Å; L116-K120 VanDerWaalsContact O-N 3.07Å |
| 117 | F | 91.8 | Very high | 85.1 | Confident | 119 Ų | 119 | 91.2 Ų | 91.2 | 52% | 0.522 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 173.2 | 171.9 | -93.7 | 0 | 0 | 0 | 111.5 | Q113 H114 V115 T119 K120 N121 | Q113-F117 WeakPolarHBondContact O-CB 3.23Å; Q113-F117 PolarHBondContact O-N 2.93Å; H114-F117 WeakPolarHBondContact O-CB 3.3Å; H114-F117 PolarHBondContact O-N 3.43Å; V115-F117 VanDerWaalsContact C-N 3.28Å; V115-F117 PolarHBondContact O-N 2.99Å; F117-T119 VanDerWaalsContact C-N 3.35Å; F117-T119 PolarHBondContact O-N 2.99Å; F117-K120 PolarHBondContact O-N 2.98Å; F117-N121 VanDerWaalsContact CE2-ND2 3.31Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.42Å; F117-N121 VanDerWaalsContact CZ-ND2 3.32Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.27Å; F117-N121 PolarHBondContact O-N 3.28Å; F117-N121 PolarHBondContact O-ND2 3.05Å |
| 118 | L | 89.4 | Confident | 83.8 | Confident | 53 Ų | 53 | 97.2 Ų | 97.2 | 28% | 0.277 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 177.4 | -66.7 | 174.2 | 0 | 0 | 0 | 111.3 | I88 H114 V115 K120 N121 Q122 | I88-L118 HydrophobicContact CD1-CB 3.58Å; I88-L118 HydrophobicContact CG1-CB 3.77Å; I88-L118 HydrophobicContact CG1-CD1 4.37Å; I88-L118 HydrophobicContact CG2-CD1 4.25Å; H114-L118 WeakPolarHBondContact O-CG 3.38Å; H114-L118 PolarHBondContact O-N 2.7Å; V115-L118 PolarHBondContact O-N 2.9Å; V115-L118 VanDerWaalsContact O-N 3.08Å; L118-K120 VanDerWaalsContact C-N 3.35Å; L118-K120 PolarHBondContact O-N 2.66Å; L118-N121 CarbonylContact O-C 3.57Å; L118-N121 PolarHBondContact O-N 3.41Å; L118-Q122 PolarHBondContact O-N 3.48Å |
| 119 | T | 85.6 | Confident | 82 | Confident | 70 Ų | 70 | 101 Ų | 101 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 178.9 | -53 | 0 | 0 | 0 | 0 | 111.5 | I88 V115 F117 N121 Q122 | I88-T119 VanDerWaalsContact CD1-N 3.27Å; I88-T119 WeakPolarHBondContact CD1-OG1 3.27Å; V115-T119 PolarHBondContact O-N 3.14Å; V115-T119 PolarHBondContact O-OG1 3.38Å; F117-T119 VanDerWaalsContact C-N 3.35Å; F117-T119 PolarHBondContact O-N 2.99Å; T119-N121 PolarHBondContact O-N 3.31Å; T119-Q122 PolarHBondContact O-N 2.93Å |
| 120 | K | 87.1 | Confident | 80 | Confident | 159 Ų | 159 | 105.5 Ų | 105.5 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.3 | -19.9 | 176.5 | -74.6 | 176.7 | 177.7 | -174.2 | 0 | 114.3 | L116 F117 L118 | L116-K120 HydrophobicContact CG-CD 4.44Å; L116-K120 VanDerWaalsContact O-CG 3.32Å; L116-K120 WeakPolarHBondContact O-CG 3.3Å; L116-K120 PolarHBondContact O-N 3.49Å; L116-K120 VanDerWaalsContact O-N 3.07Å; F117-K120 PolarHBondContact O-N 2.98Å; L118-K120 VanDerWaalsContact C-N 3.35Å; L118-K120 PolarHBondContact O-N 2.66Å |
| 121 | N | 83.2 | Confident | 78.1 | Confident | 107 Ų | 107 | 106.8 Ų | 106.8 | 57% | 0.572 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 2.4 | 177.7 | -70.5 | -74.7 | 0 | 0 | 0 | 112.9 | F117 L118 T119 | F117-N121 VanDerWaalsContact CE2-ND2 3.31Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.42Å; F117-N121 VanDerWaalsContact CZ-ND2 3.32Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.27Å; F117-N121 PolarHBondContact O-N 3.28Å; F117-N121 PolarHBondContact O-ND2 3.05Å; L118-N121 CarbonylContact O-C 3.57Å; L118-N121 PolarHBondContact O-N 3.41Å; T119-N121 PolarHBondContact O-N 3.31Å |
| 122 | Q | 78.3 | Confident | 76 | Confident | 64 Ų | 64 | 111.4 Ų | 111.4 | 30% | 0.299 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -80.4 | 141.4 | 170 | -76.1 | 179.9 | -33 | 0 | 0 | 110.6 | V86 I88 L118 T119 | V86-Q122 PolarHBondContact O-NE2 2.92Å; I88-Q122 HydrophobicContact CD1-CG 4.13Å; L118-Q122 PolarHBondContact O-N 3.48Å; T119-Q122 PolarHBondContact O-N 2.93Å |
| 123 | I | 70.8 | Confident | 74.1 | Confident | 155 Ų | 155 | 115.3 Ų | 115.3 | 80% | 0.795 | 55% | 0.546 | S | S | * | . | trans | -67.2 | 140 | 165.4 | -58.4 | 169.4 | 0 | 0 | 0 | 107.6 | R125 | I123-R125 PolarHBondContact O-N 3.37Š| ||
| 124 | E | 71.8 | Confident | 71.9 | Confident | 142 Ų | 142 | 115.2 Ų | 115.2 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | trans | -50.3 | 113.8 | 172.2 | -71.7 | -177.9 | 172 | 0 | 0 | 110.4 | R126 | E124-R126 PolarHBondContact O-N 2.9Å; E124-R126 VanDerWaalsContact O-N 3.16Å; E124-R126 IonicContact OE2-CZ 3.25Å; E124-R126 IonicContact OE2-NE 2.99Å; E124-R126 PolarHBondContact OE2-NE 3.35Å; E124-R126 IonicContact OE2-NH2 2.66Å; E124-R126 PolarHBondContact OE2-NH2 3.09Å | ||
| 125 | R | 69.8 | Low | 70.1 | Confident | 130 Ų | 130 | 118.6 Ų | 118.6 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | trans | -70.4 | 114 | 172.2 | -61.9 | -174 | -165.4 | 143.4 | -0.7 | 108.2 | V86 D87 I123 P127 | V86-R125 PolarHBondContact O-NH2 3.46Å; D87-R125 IonicContact OD1-CZ 3.85Å; D87-R125 IonicContact OD1-NH1 3.25Å; D87-R125 PolarHBondContact OD1-NH1 3.16Å; D87-R125 VanDerWaalsContact OD1-NH1 3.09Å; D87-R125 IonicContact OD1-NH2 3.32Å; D87-R125 PolarHBondContact OD1-NH2 2.92Å; I123-R125 PolarHBondContact O-N 3.37Å; R125-P127 WeakPolarHBondContact O-CD 3.46Å | ||
| 126 | R | 63.9 | Low | 68.2 | Low | 130 Ų | 130 | 124.7 Ų | 124.7 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | trans | -107.4 | 75.1 | 170.8 | -63.1 | -174.6 | -175.6 | -163.1 | 0.5 | 108.3 | E124 E128 R129 E130 | E124-R126 PolarHBondContact O-N 2.9Å; E124-R126 VanDerWaalsContact O-N 3.16Å; E124-R126 IonicContact OE2-CZ 3.25Å; E124-R126 IonicContact OE2-NE 2.99Å; E124-R126 PolarHBondContact OE2-NE 3.35Å; E124-R126 IonicContact OE2-NH2 2.66Å; E124-R126 PolarHBondContact OE2-NH2 3.09Å; R126-E128 PolarHBondContact O-N 3.07Å; R126-E128 VanDerWaalsContact O-N 3.11Å; R126-R129 HydrophobicContact CB-CB 4.19Å; R126-R129 PolarHBondContact O-N 2.99Å; R126-E130 PolarHBondContact O-N 3.38Å | ||
| 127 | P | 63.8 | Low | 66 | Low | 86 Ų | 86 | 125.9 Ų | 125.9 | 56% | 0.558 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.3 | -27.5 | -175.2 | 25 | -35.1 | 0 | 0 | 0 | 112.5 | R125 R129 E130 | R125-P127 WeakPolarHBondContact O-CD 3.46Å; P127-R129 PolarHBondContact O-N 2.92Å; P127-E130 PolarHBondContact O-N 3.49Å |
| 128 | E | 66.9 | Low | 63.8 | Low | 169 Ų | 169 | 125.4 Ų | 125.4 | 79% | 0.79 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.6 | -30.5 | 176 | -61.7 | 176.3 | 174.7 | 0 | 0 | 113.1 | R126 | R126-E128 PolarHBondContact O-N 3.07Å; R126-E128 VanDerWaalsContact O-N 3.11Å |
| 129 | R | 57.1 | Low | 61.5 | Low | 143 Ų | 143 | 125.6 Ų | 125.6 | 54% | 0.54 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.8 | -35.1 | 172.8 | -94.6 | -169.8 | 176.2 | 177.3 | -3.4 | 112.6 | R126 P127 L131 E132 E133 | R126-R129 HydrophobicContact CB-CB 4.19Å; R126-R129 PolarHBondContact O-N 2.99Å; P127-R129 PolarHBondContact O-N 2.92Å; R129-L131 PolarHBondContact O-N 3.15Å; R129-E132 PolarHBondContact O-N 2.9Å; R129-E133 PolarHBondContact O-N 3.37Å |
| 130 | E | 52.8 | Low | 59.6 | Low | 120 Ų | 120 | 129.7 Ų | 129.7 | 56% | 0.561 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.9 | -21.7 | 178.7 | -83.6 | -175.6 | 162.8 | 0 | 0 | 112.6 | R126 P127 Q134 | R126-E130 PolarHBondContact O-N 3.38Å; P127-E130 PolarHBondContact O-N 3.49Å; E130-Q134 WeakPolarHBondContact O-CB 3.44Å; E130-Q134 WeakPolarHBondContact O-CG 3.39Å; E130-Q134 PolarHBondContact O-N 3.42Å; E130-Q134 PolarHBondContact O-NE2 3.12Å |
| 131 | L | 53.9 | Low | 57.8 | Low | 119 Ų | 119 | 124.9 Ų | 124.9 | 62% | 0.623 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.2 | -42.3 | 172.1 | -68.5 | 173.2 | 0 | 0 | 0 | 112 | R129 E133 | R129-L131 PolarHBondContact O-N 3.15Å; L131-E133 VanDerWaalsContact C-N 3.33Å |
| 132 | E | 50.3 | Low | 56.4 | Low | 154 Ų | 154 | 126.7 Ų | 126.7 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.4 | -28.9 | 177.4 | -162.7 | 176 | -164.3 | 0 | 0 | 112.2 | R129 | R129-E132 PolarHBondContact O-N 2.9Å |
| 133 | E | 51.8 | Low | 55.3 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 59% | 0.589 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -86.7 | -26.5 | 175.3 | -67.8 | -178.3 | -170.2 | 0 | 0 | 113.5 | R129 L131 E135 K136 | R129-E133 PolarHBondContact O-N 3.37Å; L131-E133 VanDerWaalsContact C-N 3.33Å; E133-E135 VanDerWaalsContact C-N 3.29Å; E133-E135 PolarHBondContact O-N 2.75Å; E133-K136 CarbonylContact O-C 3.51Å; E133-K136 VanDerWaalsContact O-C 3.27Å; E133-K136 WeakPolarHBondContact O-CA 3.27Å; E133-K136 PolarHBondContact O-N 2.94Å |
| 134 | Q | 48.5 | Very low | 54.9 | Low | 135 Ų | 135 | 129.3 Ų | 129.3 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -67 | -25.1 | 176.3 | -87.8 | 175.7 | 59.1 | 0 | 0 | 113.7 | E130 K136 | E130-Q134 WeakPolarHBondContact O-CB 3.44Å; E130-Q134 WeakPolarHBondContact O-CG 3.39Å; E130-Q134 PolarHBondContact O-N 3.42Å; E130-Q134 PolarHBondContact O-NE2 3.12Å; Q134-K136 PolarHBondContact O-N 3.28Å |
| 135 | E | 52.8 | Low | 55 | Low | 178 Ų | 178 | 125.4 Ų | 125.4 | 83% | 0.832 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -13.7 | 169.5 | -63.7 | -153.5 | 146.2 | 0 | 0 | 113 | E133 P137 | E133-E135 VanDerWaalsContact C-N 3.29Å; E133-E135 PolarHBondContact O-N 2.75Å; E135-P137 WeakPolarHBondContact O-CD 3.44Å |
| 136 | K | 51.4 | Low | 55.5 | Low | 166 Ų | 166 | 122 Ų | 122 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -119.8 | 82 | 174.9 | -69.3 | 173.9 | -174.9 | 159.1 | 0 | 110.4 | E133 Q134 A138 | E133-K136 CarbonylContact O-C 3.51Å; E133-K136 VanDerWaalsContact O-C 3.27Å; E133-K136 WeakPolarHBondContact O-CA 3.27Å; E133-K136 PolarHBondContact O-N 2.94Å; Q134-K136 PolarHBondContact O-N 3.28Å; K136-A138 PolarHBondContact O-N 3.36Å |
| 137 | P | 45.3 | Very low | 56.5 | Low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 66% | 0.656 | S | S | * | * | trans | -65.8 | 89.1 | -177.7 | 27.1 | -35.5 | 0 | 0 | 0 | 112.6 | E135 G139 | E135-P137 WeakPolarHBondContact O-CD 3.44Å; P137-G139 PolarHBondContact O-N 3.25Å | ||
| 138 | A | 44.8 | Very low | 57.8 | Low | 108 Ų | 108 | 124.2 Ų | 124.2 | 89% | 0.893 | 65% | 0.652 | S | S | * | * | trans | -86.3 | 76 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | K136 | K136-A138 PolarHBondContact O-N 3.36Š| ||
| 139 | G | 41.6 | Very low | 58.8 | Low | 58 Ų | 58 | 122.5 Ų | 122.5 | 60% | 0.598 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -167 | 66.6 | -171 | 0 | 0 | 0 | 0 | 0 | 116.4 | P137 | P137-G139 PolarHBondContact O-N 3.25Š|
| 140 | T | 46.6 | Very low | 60.5 | Low | 155 Ų | 155 | 120.3 Ų | 120.3 | 95% | 0.951 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 43.7 | 84.4 | 155.4 | 54.2 | 0 | 0 | 0 | 0 | 118 | ||
| 141 | G | 47.6 | Very low | 62.4 | Low | 59 Ų | 59 | 121.4 Ų | 121.4 | 61% | 0.608 | 64% | 0.638 | S | S | * | * | trans | 134.7 | 102 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C143 | G141-C143 PolarHBondContact O-N 2.94Š| ||
| 142 | K | 54.7 | Low | 64.3 | Low | 144 Ų | 144 | 118.2 Ų | 118.2 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | trans | -56.8 | 105.9 | 169.2 | -72.5 | -163.1 | 172.3 | -168.2 | 0 | 107.3 | E150 | K142-E150 IonicContact NZ-OE1 3.79Å; K142-E150 PolarHBondContact NZ-OE1 3.45Å; K142-E150 IonicContact NZ-OE2 2.74Å; K142-E150 PolarHBondContact NZ-OE2 3.37Å | ||
| 143 | C | 55.8 | Low | 66.5 | Low | 73 Ų | 73 | 117.8 Ų | 117.8 | 49% | 0.493 | 62% | 0.617 | S | S | . | * | trans | -62.7 | 152.5 | 176 | -75.9 | 0 | 0 | 0 | 0 | 107.9 | G141 S145 D146 K147 | G141-C143 PolarHBondContact O-N 2.94Å; C143-S145 VanDerWaalsContact CB-OG 3.23Å; C143-S145 WeakPolarHBondContact CB-OG 3.31Å; C143-S145 PolarHBondContact O-N 3Å; C143-D146 WeakPolarHBondContact CB-OD2 3.42Å; C143-D146 PolarHBondContact N-OD2 3.2Å; C143-D146 VanDerWaalsContact N-OD2 3.09Å; C143-D146 PolarHBondContact O-N 3.31Å; C143-K147 PolarHBondContact O-N 3.05Å | ||
| 144 | K | 62.1 | Low | 68.6 | Low | 202 Ų | 202 | 113.8 Ų | 113.8 | 88% | 0.878 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -56.6 | -27.8 | -177.8 | -69.2 | 177.2 | 179.1 | 175.2 | 0 | 111.6 | K148 | K144-K148 PolarHBondContact O-N 3.49Å |
| 145 | S | 73.9 | Confident | 70.9 | Confident | 59 Ų | 59 | 114.5 Ų | 114.5 | 41% | 0.413 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -56.4 | -43.1 | 169 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | C143 K148 K149 | C143-S145 VanDerWaalsContact CB-OG 3.23Å; C143-S145 WeakPolarHBondContact CB-OG 3.31Å; C143-S145 PolarHBondContact O-N 3Å; S145-K148 WeakPolarHBondContact O-CB 3.5Å; S145-K148 PolarHBondContact O-N 3.32Å; S145-K149 WeakPolarHBondContact O-CG 3.35Å; S145-K149 PolarHBondContact O-N 3.04Å |
| 146 | D | 79.8 | Confident | 73 | Confident | 60 Ų | 60 | 110.8 Ų | 110.8 | 32% | 0.321 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -80.7 | -37.4 | -168 | -48.3 | -34.7 | 0 | 0 | 0 | 110.4 | C143 K148 K149 E150 | C143-D146 WeakPolarHBondContact CB-OD2 3.42Å; C143-D146 PolarHBondContact N-OD2 3.2Å; C143-D146 VanDerWaalsContact N-OD2 3.09Å; C143-D146 PolarHBondContact O-N 3.31Å; D146-K148 PolarHBondContact O-N 3Å; D146-K149 PolarHBondContact O-N 3.41Å; D146-E150 VanDerWaalsContact O-CB 3.27Å; D146-E150 WeakPolarHBondContact O-CB 3.47Å; D146-E150 PolarHBondContact O-N 3.03Å |
| 147 | K | 86 | Confident | 75.1 | Confident | 149 Ų | 149 | 107.1 Ų | 107.1 | 65% | 0.648 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.7 | -32.3 | 168.8 | -169.8 | 174 | -177 | 177.3 | 0 | 111.9 | C143 Y151 | C143-K147 PolarHBondContact O-N 3.05Å; K147-Y151 WeakPolarHBondContact O-CB 3.47Å; K147-Y151 PolarHBondContact O-N 2.9Å |
| 148 | K | 89.6 | Confident | 77.6 | Confident | 112 Ų | 112 | 109.8 Ų | 109.8 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.4 | -47 | 174.1 | 176.9 | 54.6 | 173.9 | 149.8 | 0 | 111.3 | K144 S145 D146 E150 Y151 D152 | K144-K148 PolarHBondContact O-N 3.49Å; S145-K148 WeakPolarHBondContact O-CB 3.5Å; S145-K148 PolarHBondContact O-N 3.32Å; D146-K148 PolarHBondContact O-N 3Å; K148-E150 VanDerWaalsContact C-N 3.34Å; K148-E150 PolarHBondContact O-N 3.42Å; K148-Y151 PolarHBondContact O-N 3.3Å; K148-D152 VanDerWaalsContact CD-OD2 3.29Å; K148-D152 WeakPolarHBondContact CD-OD2 3.35Å; K148-D152 WeakPolarHBondContact CE-OD2 3.22Å; K148-D152 IonicContact NZ-OD1 3.09Å; K148-D152 PolarHBondContact NZ-OD1 3.25Å; K148-D152 IonicContact NZ-OD2 2.69Å; K148-D152 PolarHBondContact NZ-OD2 3.39Å; K148-D152 PolarHBondContact O-N 2.78Å |
| 149 | K | 88.9 | Confident | 80.1 | Confident | 133 Ų | 133 | 109.4 Ų | 109.4 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -56.1 | -44.7 | 172.2 | -70.4 | 170.6 | 179.8 | 175.6 | 0 | 112.1 | S145 D146 D152 K153 | S145-K149 WeakPolarHBondContact O-CG 3.35Å; S145-K149 PolarHBondContact O-N 3.04Å; D146-K149 PolarHBondContact O-N 3.41Å; K149-D152 PolarHBondContact O-N 2.86Å; K149-K153 WeakPolarHBondContact O-CB 3.47Å; K149-K153 WeakPolarHBondContact O-CG 3.43Å; K149-K153 PolarHBondContact O-N 3.43Å |
| 150 | E | 92.1 | Very high | 82.7 | Confident | 98 Ų | 98 | 112.7 Ų | 112.7 | 46% | 0.458 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -41.5 | 177.4 | -173.4 | 176.7 | -159.9 | 0 | 0 | 111.9 | K142 D146 K148 S154 | K142-E150 IonicContact NZ-OE1 3.79Å; K142-E150 PolarHBondContact NZ-OE1 3.45Å; K142-E150 IonicContact NZ-OE2 2.74Å; K142-E150 PolarHBondContact NZ-OE2 3.37Å; D146-E150 VanDerWaalsContact O-CB 3.27Å; D146-E150 WeakPolarHBondContact O-CB 3.47Å; D146-E150 PolarHBondContact O-N 3.03Å; K148-E150 VanDerWaalsContact C-N 3.34Å; K148-E150 PolarHBondContact O-N 3.42Å; E150-S154 WeakPolarHBondContact O-CB 3.48Å; E150-S154 PolarHBondContact O-N 3.07Å |
| 151 | Y | 93.2 | Very high | 85.2 | Confident | 143 Ų | 143 | 111.7 Ų | 111.7 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | 174.1 | 178.9 | -90.7 | 0 | 0 | 0 | 112.6 | K147 K148 S154 R155 | K147-Y151 WeakPolarHBondContact O-CB 3.47Å; K147-Y151 PolarHBondContact O-N 2.9Å; K148-Y151 PolarHBondContact O-N 3.3Å; Y151-S154 PolarHBondContact O-N 3.39Å; Y151-R155 WeakPolarHBondContact O-CB 3.49Å; Y151-R155 PolarHBondContact O-N 2.75Å |
| 152 | D | 94.4 | Very high | 87.5 | Confident | 52 Ų | 52 | 115.8 Ų | 115.8 | 28% | 0.278 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | -178.5 | -68.7 | -31.6 | 0 | 0 | 0 | 111.8 | K148 K149 R155 L156 | K148-D152 VanDerWaalsContact CD-OD2 3.29Å; K148-D152 WeakPolarHBondContact CD-OD2 3.35Å; K148-D152 WeakPolarHBondContact CE-OD2 3.22Å; K148-D152 IonicContact NZ-OD1 3.09Å; K148-D152 PolarHBondContact NZ-OD1 3.25Å; K148-D152 IonicContact NZ-OD2 2.69Å; K148-D152 PolarHBondContact NZ-OD2 3.39Å; K148-D152 PolarHBondContact O-N 2.78Å; K149-D152 PolarHBondContact O-N 2.86Å; D152-R155 PolarHBondContact O-N 3.3Å; D152-L156 WeakPolarHBondContact O-CG 3.38Å; D152-L156 PolarHBondContact O-N 3.2Å |
| 153 | K | 95.8 | Very high | 89.6 | Confident | 144 Ų | 144 | 116.9 Ų | 116.9 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59 | -54 | 168.1 | -72.9 | -179.8 | 179.2 | -168.7 | 0 | 111.5 | K149 R155 L156 D157 | K149-K153 WeakPolarHBondContact O-CB 3.47Å; K149-K153 WeakPolarHBondContact O-CG 3.43Å; K149-K153 PolarHBondContact O-N 3.43Å; K153-R155 PolarHBondContact O-N 3.02Å; K153-R155 VanDerWaalsContact O-N 3.16Å; K153-L156 WeakPolarHBondContact O-CB 3.48Å; K153-L156 PolarHBondContact O-N 2.88Å; K153-D157 VanDerWaalsContact O-CG 3.27Å; K153-D157 PolarHBondContact O-N 3.5Å |
| 154 | S | 95.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 117.9 Ų | 117.9 | 30% | 0.301 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60 | -30.6 | 179.1 | -171.1 | 0 | 0 | 0 | 0 | 113.1 | E150 Y151 R158 | E150-S154 WeakPolarHBondContact O-CB 3.48Å; E150-S154 PolarHBondContact O-N 3.07Å; Y151-S154 PolarHBondContact O-N 3.39Å; S154-R158 WeakPolarHBondContact O-CD 3.47Å; S154-R158 VanDerWaalsContact O-CG 3.22Å; S154-R158 WeakPolarHBondContact O-CG 3.46Å; S154-R158 PolarHBondContact O-N 3Å |
| 155 | R | 97.3 | Very high | 93.1 | Very high | 150 Ų | 150 | 112 Ų | 112 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69 | -43.2 | 173.9 | -176.5 | -178.8 | 177.2 | -156.3 | -0.8 | 111.7 | Y151 D152 K153 R158 L159 | Y151-R155 WeakPolarHBondContact O-CB 3.49Å; Y151-R155 PolarHBondContact O-N 2.75Å; D152-R155 PolarHBondContact O-N 3.3Å; K153-R155 PolarHBondContact O-N 3.02Å; K153-R155 VanDerWaalsContact O-N 3.16Å; R155-R158 PolarHBondContact O-N 3.16Å; R155-L159 WeakPolarHBondContact O-CG 3.44Å; R155-L159 PolarHBondContact O-N 2.91Å |
| 156 | L | 97.3 | Very high | 94.2 | Very high | 99 Ų | 99 | 116.9 Ų | 116.9 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 174.1 | -73.4 | 167.7 | 0 | 0 | 0 | 111 | D152 K153 R158 L159 H160 | D152-L156 WeakPolarHBondContact O-CG 3.38Å; D152-L156 PolarHBondContact O-N 3.2Å; K153-L156 WeakPolarHBondContact O-CB 3.48Å; K153-L156 PolarHBondContact O-N 2.88Å; L156-R158 VanDerWaalsContact C-N 3.26Å; L156-R158 PolarHBondContact O-N 2.9Å; L156-L159 WeakPolarHBondContact O-CA 3.37Å; L156-L159 WeakPolarHBondContact O-CB 3.39Å; L156-L159 PolarHBondContact O-N 3.27Å; L156-H160 PolarHBondContact O-CD2 3.33Å; L156-H160 PolarHBondContact O-N 3.08Å |
| 157 | D | 96.4 | Very high | 95 | Very high | 90 Ų | 90 | 123 Ų | 123 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -56.2 | -40.8 | 179.1 | -59.9 | -29.4 | 0 | 0 | 0 | 112.1 | K153 H160 K161 | K153-D157 VanDerWaalsContact O-CG 3.27Å; K153-D157 PolarHBondContact O-N 3.5Å; D157-H160 PolarHBondContact O-N 3.27Å; D157-K161 WeakPolarHBondContact O-CB 3.41Å; D157-K161 WeakPolarHBondContact O-CG 3.49Å; D157-K161 PolarHBondContact O-N 3.48Å |
| 158 | R | 97.1 | Very high | 95.5 | Very high | 174 Ų | 174 | 121.2 Ų | 121.2 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -36 | 175.6 | -71.5 | 169.6 | -163.7 | -150.1 | 1.7 | 113.1 | S154 R155 L156 K162 | S154-R158 WeakPolarHBondContact O-CD 3.47Å; S154-R158 VanDerWaalsContact O-CG 3.22Å; S154-R158 WeakPolarHBondContact O-CG 3.46Å; S154-R158 PolarHBondContact O-N 3Å; R155-R158 PolarHBondContact O-N 3.16Å; L156-R158 VanDerWaalsContact C-N 3.26Å; L156-R158 PolarHBondContact O-N 2.9Å; R158-K162 VanDerWaalsContact O-CB 3.29Å; R158-K162 WeakPolarHBondContact O-CB 3.09Å; R158-K162 PolarHBondContact O-N 3.02Å |
| 159 | L | 97.3 | Very high | 95.7 | Very high | 101 Ų | 101 | 121 Ų | 121 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.2 | -39 | 176.5 | -70.2 | 172.4 | 0 | 0 | 0 | 111.4 | R155 L156 K163 | R155-L159 WeakPolarHBondContact O-CG 3.44Å; R155-L159 PolarHBondContact O-N 2.91Å; L156-L159 WeakPolarHBondContact O-CA 3.37Å; L156-L159 WeakPolarHBondContact O-CB 3.39Å; L156-L159 PolarHBondContact O-N 3.27Å; L159-K163 WeakPolarHBondContact O-CB 3.11Å; L159-K163 PolarHBondContact O-N 3.41Å; L159-K163 VanDerWaalsContact O-N 3.08Å |
| 160 | H | 96.9 | Very high | 96 | Very high | 126 Ų | 126 | 120.6 Ų | 120.6 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -49.2 | 173 | -84 | -86.4 | 0 | 0 | 0 | 111.6 | L156 D157 K163 L164 | L156-H160 PolarHBondContact O-CD2 3.33Å; L156-H160 PolarHBondContact O-N 3.08Å; D157-H160 PolarHBondContact O-N 3.27Å; H160-K163 WeakPolarHBondContact O-CB 3.08Å; H160-K163 PolarHBondContact O-N 2.81Å; H160-K163 VanDerWaalsContact O-N 3.12Å; H160-L164 PolarHBondContact O-N 3.44Å |
| 161 | K | 97.1 | Very high | 96.1 | Very high | 135 Ų | 135 | 118.4 Ų | 118.4 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.6 | -54.7 | 175.2 | -72.9 | 179.4 | 179.5 | -168.2 | 0 | 111.5 | D157 K163 L164 D165 | D157-K161 WeakPolarHBondContact O-CB 3.41Å; D157-K161 WeakPolarHBondContact O-CG 3.49Å; D157-K161 PolarHBondContact O-N 3.48Å; K161-K163 PolarHBondContact O-N 3.5Å; K161-L164 CarbonylContact O-C 3.27Å; K161-L164 WeakPolarHBondContact O-CA 3.49Å; K161-L164 WeakPolarHBondContact O-CB 3.43Å; K161-L164 PolarHBondContact O-N 3.4Å; K161-D165 VanDerWaalsContact C-OD2 3.31Å; K161-D165 PolarHBondContact O-N 3.28Å; K161-D165 VanDerWaalsContact O-OD1 3.04Å |
| 162 | K | 97.3 | Very high | 96.1 | Very high | 144 Ų | 144 | 117 Ų | 117 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -55.3 | -27.3 | 176.9 | -172.1 | 173.4 | -176.8 | 178.9 | 0 | 114 | R158 D165 R166 | R158-K162 VanDerWaalsContact O-CB 3.29Å; R158-K162 WeakPolarHBondContact O-CB 3.09Å; R158-K162 PolarHBondContact O-N 3.02Å; K162-D165 WeakPolarHBondContact CA-OD2 3.37Å; K162-D165 PolarHBondContact N-OD2 3.19Å; K162-R166 WeakPolarHBondContact O-CB 3.46Å; K162-R166 PolarHBondContact O-N 3.12Å; K162-R166 VanDerWaalsContact O-N 3.17Å |
| 163 | K | 97.6 | Very high | 96 | Very high | 167 Ų | 167 | 119.3 Ų | 119.3 | 73% | 0.726 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -78.1 | -33.6 | 174.6 | -171 | -179.7 | 178.9 | -175.8 | 0 | 112.6 | L159 H160 K161 R167 | L159-K163 WeakPolarHBondContact O-CB 3.11Å; L159-K163 PolarHBondContact O-N 3.41Å; L159-K163 VanDerWaalsContact O-N 3.08Å; H160-K163 WeakPolarHBondContact O-CB 3.08Å; H160-K163 PolarHBondContact O-N 2.81Å; H160-K163 VanDerWaalsContact O-N 3.12Å; K161-K163 PolarHBondContact O-N 3.5Å; K163-R167 WeakPolarHBondContact O-CB 3.49Å; K163-R167 PolarHBondContact O-N 2.79Å |
| 164 | L | 97.1 | Very high | 95.8 | Very high | 95 Ų | 95 | 117.7 Ų | 117.7 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.7 | -52.2 | 171.3 | -64.4 | 176.7 | 0 | 0 | 0 | 110.5 | H160 K161 R166 R167 E168 | H160-L164 PolarHBondContact O-N 3.44Å; K161-L164 CarbonylContact O-C 3.27Å; K161-L164 WeakPolarHBondContact O-CA 3.49Å; K161-L164 WeakPolarHBondContact O-CB 3.43Å; K161-L164 PolarHBondContact O-N 3.4Å; L164-R166 VanDerWaalsContact C-N 3.26Å; L164-R166 PolarHBondContact O-N 3.25Å; L164-R167 CarbonylContact O-C 3.54Å; L164-R167 WeakPolarHBondContact O-CA 3.43Å; L164-R167 VanDerWaalsContact O-CB 3.31Å; L164-R167 WeakPolarHBondContact O-CB 2.98Å; L164-R167 PolarHBondContact O-N 2.82Å; L164-E168 PolarHBondContact O-N 2.85Å |
| 165 | D | 95.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 122.7 Ų | 122.7 | 41% | 0.412 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -50.9 | -47.1 | 176.7 | -45.2 | -22.6 | 0 | 0 | 0 | 110.5 | K161 K162 R167 E168 E169 | K161-D165 VanDerWaalsContact C-OD2 3.31Å; K161-D165 PolarHBondContact O-N 3.28Å; K161-D165 VanDerWaalsContact O-OD1 3.04Å; K162-D165 WeakPolarHBondContact CA-OD2 3.37Å; K162-D165 PolarHBondContact N-OD2 3.19Å; D165-R167 VanDerWaalsContact C-N 3.3Å; D165-R167 PolarHBondContact O-N 2.93Å; D165-E168 PolarHBondContact O-N 2.78Å; D165-E169 WeakPolarHBondContact O-CB 3.34Å; D165-E169 WeakPolarHBondContact O-CG 3.42Å; D165-E169 PolarHBondContact O-N 3.46Å |
| 166 | R | 97 | Very high | 95 | Very high | 162 Ų | 162 | 123.3 Ų | 123.3 | 61% | 0.611 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.9 | -19.3 | 177.7 | -166.3 | 178 | -172.7 | -165.4 | 2.6 | 114.4 | K162 L164 K170 | K162-R166 WeakPolarHBondContact O-CB 3.46Å; K162-R166 PolarHBondContact O-N 3.12Å; K162-R166 VanDerWaalsContact O-N 3.17Å; L164-R166 VanDerWaalsContact C-N 3.26Å; L164-R166 PolarHBondContact O-N 3.25Å; R166-K170 WeakPolarHBondContact O-CG 3.34Å; R166-K170 PolarHBondContact O-N 2.99Å |
| 167 | R | 95.8 | Very high | 94.4 | Very high | 188 Ų | 188 | 124 Ų | 124 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80.5 | -38.7 | 172.1 | -174.7 | -176.8 | -177.7 | -174.6 | -1.2 | 110.3 | K163 L164 D165 K170 A171 | K163-R167 WeakPolarHBondContact O-CB 3.49Å; K163-R167 PolarHBondContact O-N 2.79Å; L164-R167 CarbonylContact O-C 3.54Å; L164-R167 WeakPolarHBondContact O-CA 3.43Å; L164-R167 VanDerWaalsContact O-CB 3.31Å; L164-R167 WeakPolarHBondContact O-CB 2.98Å; L164-R167 PolarHBondContact O-N 2.82Å; D165-R167 VanDerWaalsContact C-N 3.3Å; D165-R167 PolarHBondContact O-N 2.93Å; R167-K170 PolarHBondContact O-N 3.34Å; R167-A171 PolarHBondContact O-N 3.42Å |
| 168 | E | 95.6 | Very high | 93.9 | Very high | 112 Ų | 112 | 126.3 Ų | 126.3 | 52% | 0.523 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.8 | -52.5 | 173.4 | -69.4 | 164.1 | -163.1 | 0 | 0 | 110.1 | L164 D165 K170 A171 E172 | L164-E168 PolarHBondContact O-N 2.85Å; D165-E168 PolarHBondContact O-N 2.78Å; E168-K170 PolarHBondContact O-N 2.91Å; E168-K170 VanDerWaalsContact O-N 3.13Å; E168-A171 PolarHBondContact O-N 3.21Å; E168-E172 WeakPolarHBondContact O-CG 3.39Å; E168-E172 PolarHBondContact O-N 3.26Å |
| 169 | E | 95.2 | Very high | 93.3 | Very high | 108 Ų | 108 | 127.7 Ų | 127.7 | 51% | 0.505 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -49.9 | -41.2 | 172.3 | -75.3 | 173.3 | 173.3 | 0 | 0 | 112.2 | D165 N173 | D165-E169 WeakPolarHBondContact O-CB 3.34Å; D165-E169 WeakPolarHBondContact O-CG 3.42Å; D165-E169 PolarHBondContact O-N 3.46Å; E169-N173 WeakPolarHBondContact O-CB 3.17Å; E169-N173 VanDerWaalsContact O-CG 3.29Å; E169-N173 PolarHBondContact O-N 2.86Å; E169-N173 PolarHBondContact O-ND2 3.35Å |
| 170 | K | 95.1 | Very high | 92.5 | Very high | 125 Ų | 125 | 126.3 Ų | 126.3 | 54% | 0.543 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.3 | -49.2 | 177 | -83.3 | -176.6 | 167 | -145.6 | 0 | 112.1 | R166 R167 E168 E172 N173 D174 | R166-K170 WeakPolarHBondContact O-CG 3.34Å; R166-K170 PolarHBondContact O-N 2.99Å; R167-K170 PolarHBondContact O-N 3.34Å; E168-K170 PolarHBondContact O-N 2.91Å; E168-K170 VanDerWaalsContact O-N 3.13Å; K170-E172 VanDerWaalsContact C-N 3.26Å; K170-E172 PolarHBondContact O-N 2.89Å; K170-N173 PolarHBondContact O-N 2.92Å; K170-N173 VanDerWaalsContact O-N 3.16Å; K170-D174 WeakPolarHBondContact O-CB 3.44Å; K170-D174 PolarHBondContact O-N 2.97Å |
| 171 | A | 94.6 | Very high | 91.9 | Very high | 52 Ų | 52 | 123.1 Ų | 123.1 | 43% | 0.43 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.7 | -37.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | R167 E168 M175 | R167-A171 PolarHBondContact O-N 3.42Å; E168-A171 PolarHBondContact O-N 3.21Å; A171-M175 VanDerWaalsContact O-CG 3.29Å; A171-M175 WeakPolarHBondContact O-CG 3.43Å; A171-M175 PolarHBondContact O-N 3.47Å |
| 172 | E | 93.1 | Very high | 90.9 | Very high | 113 Ų | 113 | 127.1 Ų | 127.1 | 53% | 0.528 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.6 | -49.6 | 171.8 | -71.4 | 178.1 | -179.6 | 0 | 0 | 111.5 | E168 K170 D174 M175 F176 | E168-E172 WeakPolarHBondContact O-CG 3.39Å; E168-E172 PolarHBondContact O-N 3.26Å; K170-E172 VanDerWaalsContact C-N 3.26Å; K170-E172 PolarHBondContact O-N 2.89Å; E172-D174 VanDerWaalsContact C-N 3.33Å; E172-D174 PolarHBondContact O-N 3.22Å; E172-M175 WeakPolarHBondContact O-CB 3.24Å; E172-M175 PolarHBondContact O-N 2.86Å; E172-M175 VanDerWaalsContact O-N 3.16Å; E172-F176 WeakPolarHBondContact O-CD2 3.47Å; E172-F176 PolarHBondContact O-N 3.5Å |
| 173 | N | 91.5 | Very high | 89.8 | Confident | 101 Ų | 101 | 123.7 Ų | 123.7 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.7 | -43.5 | 176.3 | -75.7 | -58.7 | 0 | 0 | 0 | 111.7 | E169 K170 M175 F176 I177 | E169-N173 WeakPolarHBondContact O-CB 3.17Å; E169-N173 VanDerWaalsContact O-CG 3.29Å; E169-N173 PolarHBondContact O-N 2.86Å; E169-N173 PolarHBondContact O-ND2 3.35Å; K170-N173 PolarHBondContact O-N 2.92Å; K170-N173 VanDerWaalsContact O-N 3.16Å; N173-M175 PolarHBondContact O-N 3.24Å; N173-F176 CarbonylContact O-C 3.49Å; N173-F176 PolarHBondContact O-N 3.47Å; N173-I177 WeakPolarHBondContact O-CG1 3.28Å; N173-I177 PolarHBondContact O-N 3.44Å; N173-I177 VanDerWaalsContact O-N 3.17Å |
| 174 | D | 91.4 | Very high | 88.9 | Confident | 109 Ų | 109 | 122.8 Ų | 122.8 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63 | -30.5 | 178.2 | -61.9 | -19.8 | 0 | 0 | 0 | 111.4 | K170 E172 F176 | K170-D174 WeakPolarHBondContact O-CB 3.44Å; K170-D174 PolarHBondContact O-N 2.97Å; E172-D174 VanDerWaalsContact C-N 3.33Å; E172-D174 PolarHBondContact O-N 3.22Å; D174-F176 VanDerWaalsContact C-N 3.32Å |
| 175 | M | 90.6 | Very high | 88 | Confident | 148 Ų | 148 | 122.2 Ų | 122.2 | 73% | 0.729 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.5 | -17.3 | 171 | -76 | 172.3 | 50.7 | 0 | 0 | 114.6 | A171 E172 N173 | A171-M175 VanDerWaalsContact O-CG 3.29Å; A171-M175 WeakPolarHBondContact O-CG 3.43Å; A171-M175 PolarHBondContact O-N 3.47Å; E172-M175 WeakPolarHBondContact O-CB 3.24Å; E172-M175 PolarHBondContact O-N 2.86Å; E172-M175 VanDerWaalsContact O-N 3.16Å; N173-M175 PolarHBondContact O-N 3.24Å |
| 176 | F | 84.8 | Confident | 86.8 | Confident | 164 Ų | 164 | 123.2 Ų | 123.2 | 72% | 0.719 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 8.9 | 178.9 | -64.2 | -61.6 | 0 | 0 | 0 | 113.1 | E172 N173 D174 | E172-F176 WeakPolarHBondContact O-CD2 3.47Å; E172-F176 PolarHBondContact O-N 3.5Å; N173-F176 CarbonylContact O-C 3.49Å; N173-F176 PolarHBondContact O-N 3.47Å; D174-F176 VanDerWaalsContact C-N 3.32Å |
| 177 | I | 86 | Confident | 85.8 | Confident | 113 Ų | 113 | 122.9 Ų | 122.9 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | trans | -95.8 | 100.1 | 170.9 | -68.7 | 164.4 | 0 | 0 | 0 | 107.9 | N173 | N173-I177 WeakPolarHBondContact O-CG1 3.28Å; N173-I177 PolarHBondContact O-N 3.44Å; N173-I177 VanDerWaalsContact O-N 3.17Å | ||
| 178 | D | 84.4 | Confident | 85 | Confident | 138 Ų | 138 | 118.1 Ų | 118.1 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | trans | -73.6 | 131 | 168.3 | -72.6 | -28.7 | 0 | 0 | 0 | 110 | V180 | D178-V180 HydrophobicContact CB-CG2 4.05Å; D178-V180 PolarHBondContact O-N 3.15Å | ||
| 179 | E | 84.6 | Confident | 84.3 | Confident | 203 Ų | 203 | 118 Ų | 118 | 95% | 0.949 | 65% | 0.651 | S | S | * | * | trans | -75.1 | 87 | 172.6 | -68.7 | -170.6 | 171 | 0 | 0 | 110.4 | ||||
| 180 | V | 81 | Confident | 83.6 | Confident | 73 Ų | 73 | 118.9 Ų | 118.9 | 44% | 0.442 | 67% | 0.667 | S | S | . | * | trans | -96.3 | 138.1 | 178 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | D178 E184 V185 | D178-V180 HydrophobicContact CB-CG2 4.05Å; D178-V180 PolarHBondContact O-N 3.15Å; V180-E184 HydrophobicContact CG1-CB 3.73Å; V180-V185 HydrophobicContact CB-CG2 3.93Å; V180-V185 HydrophobicContact CG1-CG2 3.75Å | ||
| 181 | A | 84.9 | Confident | 82.9 | Confident | 58 Ų | 58 | 119 Ų | 119 | 48% | 0.479 | 68% | 0.678 | S | S | . | * | trans | -64.6 | 143.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G183 E184 | A181-G183 PolarHBondContact O-N 3.34Å; A181-E184 PolarHBondContact O-N 3.4Å; A181-E184 VanDerWaalsContact O-N 3.14Å | ||
| 182 | F | 74.7 | Confident | 81.9 | Confident | 219 Ų | 219 | 123.9 Ų | 123.9 | 96% | 0.961 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 111.2 | 178.8 | 178.7 | -96.6 | 0 | 0 | 0 | 110.8 | ||
| 183 | G | 76.3 | Confident | 81 | Confident | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.3 | -26.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A181 | A181-G183 PolarHBondContact O-N 3.34Š|
| 184 | E | 77.2 | Confident | 80.3 | Confident | 147 Ų | 147 | 125.3 Ų | 125.3 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -21.1 | 177.8 | -64.5 | 178.7 | 163.9 | 0 | 0 | 112.6 | V180 A181 A186 | V180-E184 HydrophobicContact CG1-CB 3.73Å; A181-E184 PolarHBondContact O-N 3.4Å; A181-E184 VanDerWaalsContact O-N 3.14Å; E184-A186 PolarHBondContact O-N 3.01Å |
| 185 | V | 79.4 | Confident | 79.3 | Confident | 83 Ų | 83 | 128 Ų | 128 | 50% | 0.503 | 72% | 0.721 | S | S | . | * | trans | -70 | 91.2 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | V180 M187 | V180-V185 HydrophobicContact CB-CG2 3.93Å; V180-V185 HydrophobicContact CG1-CG2 3.75Å; V185-M187 VanDerWaalsContact C-N 3.29Å; V185-M187 HydrophobicContact CG1-CG 4.42Å; V185-M187 HydrophobicContact CG1-SD 4.08Å; V185-M187 PolarHBondContact O-N 3.35Å | ||
| 186 | A | 70.2 | Confident | 78.9 | Confident | 99 Ų | 99 | 125.4 Ų | 125.4 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -67.4 | 86.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | E184 A188 | E184-A186 PolarHBondContact O-N 3.01Å; A186-A188 PolarHBondContact O-N 3.19Å | ||
| 187 | M | 76.2 | Confident | 78.4 | Confident | 155 Ų | 155 | 130.1 Ų | 130.1 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 134.5 | 171.9 | -71.7 | -64.7 | -71.6 | 0 | 0 | 110 | V185 | V185-M187 VanDerWaalsContact C-N 3.29Å; V185-M187 HydrophobicContact CG1-CG 4.42Å; V185-M187 HydrophobicContact CG1-SD 4.08Å; V185-M187 PolarHBondContact O-N 3.35Å |
| 188 | A | 77.8 | Confident | 77.7 | Confident | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 128.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A186 | A186-A188 PolarHBondContact O-N 3.19Š|
| 189 | P | 81.7 | Confident | 76.8 | Confident | 108 Ų | 108 | 130.8 Ų | 130.8 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 136.9 | -171.8 | 21.7 | -32.9 | 0 | 0 | 0 | 110 | T191 | P189-T191 PolarHBondContact O-N 3.4Š|
| 190 | P | 80.7 | Confident | 75.9 | Confident | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 117 | -173 | 22.7 | -33.4 | 0 | 0 | 0 | 110 | L192 | P190-L192 PolarHBondContact O-N 3.06Š|
| 191 | T | 79.8 | Confident | 75 | Confident | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 124.9 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | P189 S193 | P189-T191 PolarHBondContact O-N 3.4Å; T191-S193 VanDerWaalsContact C-N 3.3Å; T191-S193 PolarHBondContact O-N 2.92Å |
| 192 | L | 74.9 | Confident | 74.2 | Confident | 154 Ų | 154 | 135.5 Ų | 135.5 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -68.6 | 87.5 | 176.7 | -71 | 171 | 0 | 0 | 0 | 109.9 | P190 I194 | P190-L192 PolarHBondContact O-N 3.06Å; L192-I194 HydrophobicContact CD2-CD1 4.35Å; L192-I194 PolarHBondContact O-N 3.14Å; L192-I194 VanDerWaalsContact O-N 3.12Å | ||
| 193 | S | 72.6 | Confident | 73.6 | Confident | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -71.6 | 3.8 | 175.3 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | T191 K195 | T191-S193 VanDerWaalsContact C-N 3.3Å; T191-S193 PolarHBondContact O-N 2.92Å; S193-K195 PolarHBondContact O-N 2.91Å; S193-K195 VanDerWaalsContact O-N 3.12Å | ||
| 194 | I | 77.8 | Confident | 72.8 | Confident | 133 Ų | 133 | 136.1 Ų | 136.1 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | -67.8 | 107.5 | 178.4 | -57.9 | 176.3 | 0 | 0 | 0 | 109.1 | L192 P196 | L192-I194 HydrophobicContact CD2-CD1 4.35Å; L192-I194 PolarHBondContact O-N 3.14Å; L192-I194 VanDerWaalsContact O-N 3.12Å; I194-P196 WeakPolarHBondContact O-CD 3Å | ||
| 195 | K | 71.1 | Confident | 71.9 | Confident | 166 Ų | 166 | 132 Ų | 132 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | -61.7 | 123.6 | 170.8 | -63.8 | 176.9 | -176 | 174.2 | 0 | 108.8 | S193 R197 | S193-K195 PolarHBondContact O-N 2.91Å; S193-K195 VanDerWaalsContact O-N 3.12Å; K195-R197 PolarHBondContact O-N 3.11Å | ||
| 196 | P | 80.3 | Confident | 70.7 | Confident | 94 Ų | 94 | 134 Ų | 134 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | trans | -62.3 | 126.4 | -179.3 | 21.3 | -31 | 0 | 0 | 0 | 110.8 | I194 K198 A199 | I194-P196 WeakPolarHBondContact O-CD 3Å; P196-K198 PolarHBondContact O-N 3.42Å; P196-A199 HydrophobicContact CG-CB 3.83Å; P196-A199 PolarHBondContact O-N 2.95Å | ||
| 197 | R | 75.3 | Confident | 70 | Confident | 263 Ų | 263 | 133.5 Ų | 133.5 | 99% | 0.992 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -17.9 | -171.6 | -81 | -175.8 | 171.9 | -175.1 | -2.4 | 116.1 | K195 | K195-R197 PolarHBondContact O-N 3.11Š|
| 198 | K | 70.6 | Confident | 69.5 | Low | 207 Ų | 207 | 135 Ų | 135 | 90% | 0.9 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 5.9 | -178.4 | -66.6 | -167.9 | 176.3 | -174.9 | 0 | 114.7 | P196 L200 | P196-K198 PolarHBondContact O-N 3.42Å; K198-L200 PolarHBondContact O-N 2.77Å |
| 199 | A | 66.3 | Low | 69.1 | Low | 58 Ų | 58 | 132.4 Ų | 132.4 | 48% | 0.479 | 72% | 0.722 | S | S | . | * | trans | -72.3 | 115.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P196 I201 | P196-A199 HydrophobicContact CG-CB 3.83Å; P196-A199 PolarHBondContact O-N 2.95Å; A199-I201 PolarHBondContact O-N 3.49Å | ||
| 200 | L | 65.9 | Low | 68.9 | Low | 143 Ų | 143 | 133.5 Ų | 133.5 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | trans | -63.5 | 100.1 | 167.1 | 179.3 | 68 | 0 | 0 | 0 | 108.4 | K198 K202 | K198-L200 PolarHBondContact O-N 2.77Å; L200-K202 HydrophobicContact CD2-CG 4.15Å; L200-K202 HydrophobicContact CG-CG 4.24Å; L200-K202 PolarHBondContact O-N 3.11Å | ||
| 201 | I | 62.5 | Low | 68.8 | Low | 128 Ų | 128 | 133.7 Ų | 133.7 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | trans | -69 | 82.2 | 171.2 | -50.6 | 176.5 | 0 | 0 | 0 | 107.4 | A199 | A199-I201 PolarHBondContact O-N 3.49Š| ||
| 202 | K | 66.9 | Low | 68.8 | Low | 162 Ų | 162 | 132.9 Ų | 132.9 | 70% | 0.704 | 70% | 0.704 | S | S | * | * | trans | -57.2 | 124.5 | 160.8 | -68.6 | -179.2 | 179.9 | 177.4 | 0 | 105.9 | L200 Q204 | L200-K202 HydrophobicContact CD2-CG 4.15Å; L200-K202 HydrophobicContact CG-CG 4.24Å; L200-K202 PolarHBondContact O-N 3.11Å; K202-Q204 PolarHBondContact O-N 3.25Å | ||
| 203 | P | 62.1 | Low | 68.9 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | trans | -57.5 | 130.4 | 173.9 | 24.8 | -32.7 | 0 | 0 | 0 | 107.5 | G205 | P203-G205 PolarHBondContact O-N 3.06Š| ||
| 204 | Q | 59.9 | Low | 69.1 | Low | 193 Ų | 193 | 126.8 Ų | 126.8 | 90% | 0.902 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -72.6 | 69.3 | 176.5 | -171.3 | 167.9 | -11.1 | 0 | 0 | 108.6 | K202 | K202-Q204 PolarHBondContact O-N 3.25Š|
| 205 | G | 57.8 | Low | 69.5 | Low | 61 Ų | 61 | 126.9 Ų | 126.9 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | trans | -144.8 | 2.2 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P203 | P203-G205 PolarHBondContact O-N 3.06Š| ||
| 206 | V | 54.8 | Low | 70.1 | Confident | 124 Ų | 124 | 123.6 Ų | 123.6 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | trans | -119.1 | 67.5 | 158 | -167.2 | 0 | 0 | 0 | 0 | 108.1 | K208 | V206-K208 HydrophobicContact CG1-CG 4.11Å; V206-K208 PolarHBondContact O-N 3.46Å | ||
| 207 | C | 56.2 | Low | 70 | Confident | 88 Ų | 88 | 122 Ų | 122 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | trans | -65.2 | 80.9 | 162.4 | -65.3 | 0 | 0 | 0 | 0 | 108.3 | G209 | C207-G209 PolarHBondContact O-N 3.46Š| ||
| 208 | K | 65.1 | Low | 69.9 | Low | 187 Ų | 187 | 114.4 Ų | 114.4 | 81% | 0.813 | 64% | 0.639 | S | S | * | * | trans | -54.1 | 113.5 | 158.3 | -62.7 | -173.4 | -179 | -175.5 | 0 | 105.2 | V206 | V206-K208 HydrophobicContact CG1-CG 4.11Å; V206-K208 PolarHBondContact O-N 3.46Å | ||
| 209 | G | 68.7 | Low | 69.5 | Low | 34 Ų | 34 | 110.5 Ų | 110.5 | 35% | 0.351 | 63% | 0.633 | S | S | . | * | trans | -55.8 | 153.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | C207 L211 | C207-G209 PolarHBondContact O-N 3.46Å; G209-L211 PolarHBondContact O-N 3.03Å | ||
| 210 | L | 77.5 | Confident | 69.2 | Low | 130 Ų | 130 | 113.5 Ų | 113.5 | 68% | 0.681 | 64% | 0.637 | S | S | * | * | trans | -46.8 | 131.6 | 174.7 | -62.3 | 176.5 | 0 | 0 | 0 | 108.9 | L212 N213 | L210-L212 PolarHBondContact O-N 2.96Å; L210-N213 VanDerWaalsContact O-CB 3.3Å; L210-N213 WeakPolarHBondContact O-CB 3.31Å; L210-N213 PolarHBondContact O-N 3.17Å | ||
| 211 | L | 78.8 | Confident | 68.8 | Low | 131 Ų | 131 | 114.7 Ų | 114.7 | 69% | 0.686 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -52.1 | -36.4 | -175.2 | 179.4 | 63.4 | 0 | 0 | 0 | 111.7 | G209 N213 S214 L215 | G209-L211 PolarHBondContact O-N 3.03Å; L211-N213 VanDerWaalsContact C-N 3.28Å; L211-N213 PolarHBondContact O-N 3.34Å; L211-S214 WeakPolarHBondContact O-CA 3.42Å; L211-S214 VanDerWaalsContact O-CB 3.31Å; L211-S214 WeakPolarHBondContact O-CB 3.26Å; L211-S214 PolarHBondContact O-N 3.3Å; L211-L215 HydrophobicContact CG-CD1 4.19Å; L211-L215 WeakPolarHBondContact O-CG 3.46Å; L211-L215 PolarHBondContact O-N 3.36Å |
| 212 | L | 78.9 | Confident | 68.7 | Low | 111 Ų | 111 | 113 Ų | 113 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -51.9 | -41.5 | 173.3 | -163 | 80.1 | 0 | 0 | 0 | 113.3 | L210 S214 L215 L216 | L210-L212 PolarHBondContact O-N 2.96Å; L212-S214 VanDerWaalsContact C-N 3.3Å; L212-S214 PolarHBondContact O-N 3.08Å; L212-L215 PolarHBondContact O-N 3.23Å; L212-L216 HydrophobicContact CD2-CD1 3.98Å; L212-L216 HydrophobicContact CG-CD1 3.76Å; L212-L216 HydrophobicContact CG-CG 4.37Å; L212-L216 WeakPolarHBondContact O-CB 3.36Å; L212-L216 VanDerWaalsContact O-CG 3.32Å; L212-L216 WeakPolarHBondContact O-CG 3.47Å; L212-L216 PolarHBondContact O-N 3.04Å |
| 213 | N | 77.6 | Confident | 68.3 | Low | 41 Ų | 41 | 112.5 Ų | 112.5 | 22% | 0.219 | 65% | 0.647 | C | S | . | * | H | α-helix | trans | -67 | -33.8 | 179.4 | -63.8 | 17.6 | 0 | 0 | 0 | 111.4 | L210 L211 G217 Q218 | L210-N213 VanDerWaalsContact O-CB 3.3Å; L210-N213 WeakPolarHBondContact O-CB 3.31Å; L210-N213 PolarHBondContact O-N 3.17Å; L211-N213 VanDerWaalsContact C-N 3.28Å; L211-N213 PolarHBondContact O-N 3.34Å; N213-G217 PolarHBondContact O-N 2.93Å; N213-Q218 WeakPolarHBondContact CB-O 3.5Å; N213-Q218 PolarHBondContact O-N 3.17Å |
| 214 | S | 76.9 | Confident | 68.8 | Low | 97 Ų | 97 | 110.3 Ų | 110.3 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.9 | -35.3 | 173.3 | -166.9 | 0 | 0 | 0 | 0 | 112.1 | L211 L212 | L211-S214 WeakPolarHBondContact O-CA 3.42Å; L211-S214 VanDerWaalsContact O-CB 3.31Å; L211-S214 WeakPolarHBondContact O-CB 3.26Å; L211-S214 PolarHBondContact O-N 3.3Å; L212-S214 VanDerWaalsContact C-N 3.3Å; L212-S214 PolarHBondContact O-N 3.08Å |
| 215 | L | 85.8 | Confident | 69.7 | Low | 134 Ų | 134 | 110.7 Ų | 110.7 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.9 | -36.5 | 178.6 | -66.1 | 170.3 | 0 | 0 | 0 | 112.3 | L211 L212 G217 | L211-L215 HydrophobicContact CG-CD1 4.19Å; L211-L215 WeakPolarHBondContact O-CG 3.46Å; L211-L215 PolarHBondContact O-N 3.36Å; L212-L215 PolarHBondContact O-N 3.23Å; L215-G217 VanDerWaalsContact C-N 3.27Å; L215-G217 PolarHBondContact O-N 3.1Å |
| 216 | L | 85.2 | Confident | 70.8 | Confident | 98 Ų | 98 | 110.4 Ų | 110.4 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -2.5 | 177.2 | -68.7 | 170 | 0 | 0 | 0 | 113.6 | L212 Q218 | L212-L216 HydrophobicContact CD2-CD1 3.98Å; L212-L216 HydrophobicContact CG-CD1 3.76Å; L212-L216 HydrophobicContact CG-CG 4.37Å; L212-L216 WeakPolarHBondContact O-CB 3.36Å; L212-L216 VanDerWaalsContact O-CG 3.32Å; L212-L216 WeakPolarHBondContact O-CG 3.47Å; L212-L216 PolarHBondContact O-N 3.04Å; L216-Q218 HydrophobicContact CB-CB 4.34Å; L216-Q218 HydrophobicContact CB-CG 3.94Å; L216-Q218 PolarHBondContact O-N 2.89Å; L216-Q218 VanDerWaalsContact O-N 3.14Å |
| 217 | G | 77.2 | Confident | 72.4 | Confident | 61 Ų | 61 | 108.2 Ų | 108.2 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.3 | 11.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N213 L215 T219 | N213-G217 PolarHBondContact O-N 2.93Å; L215-G217 VanDerWaalsContact C-N 3.27Å; L215-G217 PolarHBondContact O-N 3.1Å; G217-T219 PolarHBondContact O-N 3.06Å; G217-T219 VanDerWaalsContact O-N 3.09Å |
| 218 | Q | 73.1 | Confident | 74 | Confident | 103 Ų | 103 | 109.5 Ų | 109.5 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | trans | -84 | 85.8 | -176.7 | -70.8 | 179.3 | -1 | 0 | 0 | 109.8 | N213 L216 Q220 | N213-Q218 WeakPolarHBondContact CB-O 3.5Å; N213-Q218 PolarHBondContact O-N 3.17Å; L216-Q218 HydrophobicContact CB-CB 4.34Å; L216-Q218 HydrophobicContact CB-CG 3.94Å; L216-Q218 PolarHBondContact O-N 2.89Å; L216-Q218 VanDerWaalsContact O-N 3.14Å; Q218-Q220 PolarHBondContact O-N 2.76Å | ||
| 219 | T | 62.3 | Low | 75.3 | Confident | 124 Ų | 124 | 103.7 Ų | 103.7 | 76% | 0.761 | 60% | 0.599 | S | S | * | * | trans | -55.1 | 139.4 | 165.4 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | G217 F221 | G217-T219 PolarHBondContact O-N 3.06Å; G217-T219 VanDerWaalsContact O-N 3.09Å; T219-F221 PolarHBondContact O-N 2.95Å | ||
| 220 | Q | 60.5 | Low | 76.2 | Confident | 121 Ų | 121 | 107.8 Ų | 107.8 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | trans | -61.2 | 108.9 | -171.8 | -64.6 | -179.9 | -11.1 | 0 | 0 | 109.9 | Q218 S222 | Q218-Q220 PolarHBondContact O-N 2.76Å; Q220-S222 PolarHBondContact O-N 3.09Å | ||
| 221 | F | 57.3 | Low | 76.8 | Confident | 168 Ų | 168 | 105 Ų | 105 | 74% | 0.737 | 59% | 0.588 | S | S | * | * | trans | -56.4 | 118.3 | 163.9 | -67.4 | -74.1 | 0 | 0 | 0 | 107.1 | T219 T223 | T219-F221 PolarHBondContact O-N 2.95Å; F221-T223 PolarHBondContact O-N 3.38Å | ||
| 222 | S | 59.5 | Low | 77.6 | Confident | 94 Ų | 94 | 106.9 Ų | 106.9 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | trans | -48.8 | 126.2 | -175.9 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | Q220 A224 | Q220-S222 PolarHBondContact O-N 3.09Å; S222-A224 PolarHBondContact O-N 2.95Å; S222-A224 VanDerWaalsContact O-N 3.15Å; S222-A224 WeakPolarHBondContact OG-CB 3.43Å; S222-A224 PolarHBondContact OG-N 3.21Å | ||
| 223 | T | 59.4 | Low | 78.1 | Confident | 151 Ų | 151 | 107 Ų | 107 | 93% | 0.926 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -69.7 | -3.9 | 175.9 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | F221 | F221-T223 PolarHBondContact O-N 3.38Š|
| 224 | A | 73.4 | Confident | 78.9 | Confident | 65 Ų | 65 | 109.3 Ų | 109.3 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -63.5 | 135.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S222 | S222-A224 PolarHBondContact O-N 2.95Å; S222-A224 VanDerWaalsContact O-N 3.15Å; S222-A224 WeakPolarHBondContact OG-CB 3.43Å; S222-A224 PolarHBondContact OG-N 3.21Å |
| 225 | K | 77.9 | Confident | 79.7 | Confident | 202 Ų | 202 | 108.8 Ų | 108.8 | 88% | 0.878 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.2 | 173.3 | -61.5 | -179.4 | -179 | -179.7 | 0 | 109 | ||
| 226 | P | 81.8 | Confident | 80.1 | Confident | 54 Ų | 54 | 107 Ų | 107 | 35% | 0.351 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -61 | 152.6 | 179.5 | 25.9 | -34.1 | 0 | 0 | 0 | 110.6 | R230 Q231 | P226-R230 HydrophobicContact CB-CB 4.18Å; P226-R230 HydrophobicContact CB-CG 4.16Å; P226-Q231 HydrophobicContact CG-CB 4.38Å |
| 227 | S | 87.3 | Confident | 80.6 | Confident | 79 Ų | 79 | 108 Ų | 108 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.8 | 174 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | A229 R230 Q231 | S227-A229 PolarHBondContact O-N 3.46Å; S227-R230 WeakPolarHBondContact O-CA 3.48Å; S227-R230 PolarHBondContact O-N 2.9Å; S227-R230 PolarHBondContact OG-N 2.96Å; S227-Q231 PolarHBondContact O-N 3.11Å |
| 228 | M | 90.6 | Very high | 81.6 | Confident | 115 Ų | 115 | 113.9 Ų | 113.9 | 57% | 0.567 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -52.1 | -33.1 | -179.2 | -74.9 | -57 | -48.2 | 0 | 0 | 113.7 | R232 | M228-R232 VanDerWaalsContact O-CG 3.31Å; M228-R232 WeakPolarHBondContact O-CG 3.45Å; M228-R232 PolarHBondContact O-N 3.14Å |
| 229 | A | 90.8 | Very high | 82.7 | Confident | 64 Ų | 64 | 114.7 Ų | 114.7 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.1 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S227 R232 M233 | S227-A229 PolarHBondContact O-N 3.46Å; A229-R232 PolarHBondContact O-N 3.15Å; A229-M233 PolarHBondContact O-N 2.87Å |
| 230 | R | 87.7 | Confident | 84.4 | Confident | 121 Ų | 121 | 116.3 Ų | 116.3 | 46% | 0.457 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.3 | -37 | 177.2 | -174.6 | 173.2 | -172.7 | -94.3 | -2.2 | 112 | P226 S227 M233 M234 | P226-R230 HydrophobicContact CB-CB 4.18Å; P226-R230 HydrophobicContact CB-CG 4.16Å; S227-R230 WeakPolarHBondContact O-CA 3.48Å; S227-R230 PolarHBondContact O-N 2.9Å; S227-R230 PolarHBondContact OG-N 2.96Å; R230-M233 PolarHBondContact O-N 3.14Å; R230-M234 HydrophobicContact CG-SD 4.32Å; R230-M234 WeakPolarHBondContact O-CG 3.48Å; R230-M234 PolarHBondContact O-N 3.31Å; R230-M234 VanDerWaalsContact O-N 3.07Å |
| 231 | Q | 91.1 | Very high | 86.2 | Confident | 72 Ų | 72 | 115.3 Ų | 115.3 | 34% | 0.336 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.6 | -47.4 | 173.7 | -178.3 | 174.1 | -11.2 | 0 | 0 | 111.2 | P226 S227 M233 M234 E235 | P226-Q231 HydrophobicContact CG-CB 4.38Å; S227-Q231 PolarHBondContact O-N 3.11Å; Q231-M233 PolarHBondContact O-N 3.4Å; Q231-M234 PolarHBondContact O-N 3.03Å; Q231-E235 HydrophobicContact CG-CG 4.39Å; Q231-E235 VanDerWaalsContact CG-OE1 3.26Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.42Å; Q231-E235 PolarHBondContact NE2-OE1 3.49Å; Q231-E235 WeakPolarHBondContact O-CB 3.48Å; Q231-E235 WeakPolarHBondContact O-CG 3.28Å; Q231-E235 PolarHBondContact O-N 2.92Å |
| 232 | R | 94.6 | Very high | 88.1 | Confident | 170 Ų | 170 | 110.3 Ų | 110.3 | 64% | 0.642 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.6 | -43 | 176.6 | -73.1 | 170.5 | -177.2 | 178.8 | 0.5 | 112.9 | M228 A229 E235 E236 | M228-R232 VanDerWaalsContact O-CG 3.31Å; M228-R232 WeakPolarHBondContact O-CG 3.45Å; M228-R232 PolarHBondContact O-N 3.14Å; A229-R232 PolarHBondContact O-N 3.15Å; R232-E235 PolarHBondContact O-N 3.4Å; R232-E236 WeakPolarHBondContact O-CB 3.42Å; R232-E236 PolarHBondContact O-N 3.43Å |
| 233 | M | 91.1 | Very high | 89.9 | Confident | 112 Ų | 112 | 111 Ų | 111 | 55% | 0.552 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.2 | -49.4 | 175.4 | -70.6 | 164.8 | 51.2 | 0 | 0 | 111.7 | A229 R230 Q231 E235 E236 E237 | A229-M233 PolarHBondContact O-N 2.87Å; R230-M233 PolarHBondContact O-N 3.14Å; Q231-M233 PolarHBondContact O-N 3.4Å; M233-E235 VanDerWaalsContact C-N 3.31Å; M233-E235 PolarHBondContact O-N 3.18Å; M233-E236 PolarHBondContact O-N 3.23Å; M233-E237 WeakPolarHBondContact O-CG 3.4Å; M233-E237 PolarHBondContact O-N 3.22Å |
| 234 | M | 93.1 | Very high | 91.7 | Very high | 91 Ų | 91 | 106.8 Ų | 106.8 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 179.6 | -68.2 | 178.4 | 67.7 | 0 | 0 | 112.5 | R230 Q231 R238 | R230-M234 HydrophobicContact CG-SD 4.32Å; R230-M234 WeakPolarHBondContact O-CG 3.48Å; R230-M234 PolarHBondContact O-N 3.31Å; R230-M234 VanDerWaalsContact O-N 3.07Å; Q231-M234 PolarHBondContact O-N 3.03Å; M234-R238 VanDerWaalsContact O-CB 3.3Å; M234-R238 WeakPolarHBondContact O-CB 3.12Å; M234-R238 PolarHBondContact O-N 3.44Å |
| 235 | E | 93.5 | Very high | 92.9 | Very high | 85 Ų | 85 | 110.2 Ų | 110.2 | 40% | 0.397 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 175.3 | -75.1 | 170.4 | -178.4 | 0 | 0 | 112 | Q231 R232 M233 R238 Q239 | Q231-E235 HydrophobicContact CG-CG 4.39Å; Q231-E235 VanDerWaalsContact CG-OE1 3.26Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.42Å; Q231-E235 PolarHBondContact NE2-OE1 3.49Å; Q231-E235 WeakPolarHBondContact O-CB 3.48Å; Q231-E235 WeakPolarHBondContact O-CG 3.28Å; Q231-E235 PolarHBondContact O-N 2.92Å; R232-E235 PolarHBondContact O-N 3.4Å; M233-E235 VanDerWaalsContact C-N 3.31Å; M233-E235 PolarHBondContact O-N 3.18Å; E235-R238 PolarHBondContact O-N 3.24Å; E235-Q239 VanDerWaalsContact O-CG 3.3Å; E235-Q239 WeakPolarHBondContact O-CG 3.15Å; E235-Q239 PolarHBondContact O-N 3.16Å |
| 236 | E | 95.8 | Very high | 93.9 | Very high | 96 Ų | 96 | 108.7 Ų | 108.7 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 175.2 | -165.8 | -167.9 | 147.4 | 0 | 0 | 111.5 | R232 M233 R238 Q239 R240 | R232-E236 WeakPolarHBondContact O-CB 3.42Å; R232-E236 PolarHBondContact O-N 3.43Å; M233-E236 PolarHBondContact O-N 3.23Å; E236-R238 VanDerWaalsContact C-N 3.33Å; E236-R238 PolarHBondContact O-N 2.69Å; E236-Q239 PolarHBondContact O-N 3.09Å; E236-Q239 VanDerWaalsContact O-N 3.14Å; E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 2.82Å; E236-R240 IonicContact OE1-CZ 2.87Å; E236-R240 VanDerWaalsContact OE1-CZ 3.25Å; E236-R240 IonicContact OE1-NE 3.5Å; E236-R240 PolarHBondContact OE1-NE 2.79Å; E236-R240 IonicContact OE1-NH2 3.78Å; E236-R240 PolarHBondContact OE1-NH2 3.02Å |
| 237 | E | 95.6 | Very high | 94.6 | Very high | 119 Ų | 119 | 111.9 Ų | 111.9 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57 | -46.7 | 174.4 | -74.4 | 174.8 | 174.4 | 0 | 0 | 111.3 | M233 Q239 R240 V241 | M233-E237 WeakPolarHBondContact O-CG 3.4Å; M233-E237 PolarHBondContact O-N 3.22Å; E237-Q239 VanDerWaalsContact C-N 3.33Å; E237-Q239 PolarHBondContact O-N 2.81Å; E237-R240 PolarHBondContact O-N 2.98Å; E237-V241 WeakPolarHBondContact O-CG2 3.31Å; E237-V241 PolarHBondContact O-N 3.06Å |
| 238 | R | 97.1 | Very high | 95 | Very high | 186 Ų | 186 | 112.2 Ų | 112.2 | 70% | 0.702 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.5 | -43.5 | 175 | -177.5 | -176.6 | 177.4 | -158.8 | -0.2 | 111.7 | M234 E235 E236 V241 V242 | M234-R238 VanDerWaalsContact O-CB 3.3Å; M234-R238 WeakPolarHBondContact O-CB 3.12Å; M234-R238 PolarHBondContact O-N 3.44Å; E235-R238 PolarHBondContact O-N 3.24Å; E236-R238 VanDerWaalsContact C-N 3.33Å; E236-R238 PolarHBondContact O-N 2.69Å; R238-V241 PolarHBondContact O-N 3.41Å; R238-V242 WeakPolarHBondContact O-CB 3.43Å; R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.33Å; R238-V242 PolarHBondContact O-N 3.45Å |
| 239 | Q | 97.3 | Very high | 95.4 | Very high | 119 Ų | 119 | 111.8 Ų | 111.8 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 177.4 | -74.1 | 176.7 | 19 | 0 | 0 | 111.8 | E235 E236 E237 V241 V242 Q243 | E235-Q239 VanDerWaalsContact O-CG 3.3Å; E235-Q239 WeakPolarHBondContact O-CG 3.15Å; E235-Q239 PolarHBondContact O-N 3.16Å; E236-Q239 PolarHBondContact O-N 3.09Å; E236-Q239 VanDerWaalsContact O-N 3.14Å; E237-Q239 VanDerWaalsContact C-N 3.33Å; E237-Q239 PolarHBondContact O-N 2.81Å; Q239-V241 PolarHBondContact O-N 2.74Å; Q239-V242 PolarHBondContact O-N 3.49Å; Q239-Q243 WeakPolarHBondContact O-CB 3.44Å; Q239-Q243 VanDerWaalsContact O-CG 3.31Å; Q239-Q243 WeakPolarHBondContact O-CG 3.38Å; Q239-Q243 PolarHBondContact O-N 2.91Å |
| 240 | R | 97.3 | Very high | 95.6 | Very high | 158 Ų | 158 | 115 Ų | 115 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58 | -46.7 | 176.1 | -69.9 | 179.5 | -175.8 | -149.3 | 6.1 | 111.7 | E236 E237 Q243 A244 | E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 2.82Å; E236-R240 IonicContact OE1-CZ 2.87Å; E236-R240 VanDerWaalsContact OE1-CZ 3.25Å; E236-R240 IonicContact OE1-NE 3.5Å; E236-R240 PolarHBondContact OE1-NE 2.79Å; E236-R240 IonicContact OE1-NH2 3.78Å; E236-R240 PolarHBondContact OE1-NH2 3.02Å; E237-R240 PolarHBondContact O-N 2.98Å; R240-Q243 PolarHBondContact O-N 3.25Å; R240-A244 WeakPolarHBondContact O-CB 3.47Å; R240-A244 PolarHBondContact O-N 3.17Å |
| 241 | V | 97.6 | Very high | 96 | Very high | 101 Ų | 101 | 115.1 Ų | 115.1 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | E237 R238 Q239 Q243 A244 Y245 | E237-V241 WeakPolarHBondContact O-CG2 3.31Å; E237-V241 PolarHBondContact O-N 3.06Å; R238-V241 PolarHBondContact O-N 3.41Å; Q239-V241 PolarHBondContact O-N 2.74Å; V241-Q243 PolarHBondContact O-N 3.18Å; V241-A244 PolarHBondContact O-N 3.24Å; V241-Y245 WeakPolarHBondContact O-CB 3.46Å; V241-Y245 PolarHBondContact O-N 2.99Å |
| 242 | V | 97.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 117.6 Ų | 117.6 | 38% | 0.376 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.7 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | R238 Q239 R246 | R238-V242 WeakPolarHBondContact O-CB 3.43Å; R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.33Å; R238-V242 PolarHBondContact O-N 3.45Å; Q239-V242 PolarHBondContact O-N 3.49Å; V242-R246 WeakPolarHBondContact O-CB 3.25Å; V242-R246 VanDerWaalsContact O-CG 3.27Å; V242-R246 WeakPolarHBondContact O-CG 3.48Å; V242-R246 PolarHBondContact O-N 3.32Å |
| 243 | Q | 97.4 | Very high | 96.1 | Very high | 109 Ų | 109 | 114 Ų | 114 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 174.7 | -72.7 | 173.1 | 2.3 | 0 | 0 | 111 | Q239 R240 V241 Y245 R246 H247 | Q239-Q243 WeakPolarHBondContact O-CB 3.44Å; Q239-Q243 VanDerWaalsContact O-CG 3.31Å; Q239-Q243 WeakPolarHBondContact O-CG 3.38Å; Q239-Q243 PolarHBondContact O-N 2.91Å; R240-Q243 PolarHBondContact O-N 3.25Å; V241-Q243 PolarHBondContact O-N 3.18Å; Q243-Y245 VanDerWaalsContact C-N 3.32Å; Q243-Y245 PolarHBondContact O-N 3.43Å; Q243-R246 WeakPolarHBondContact O-CB 3.44Å; Q243-R246 PolarHBondContact O-N 3.08Å; Q243-R246 VanDerWaalsContact O-N 3.07Å; Q243-H247 PolarHBondContact O-CD2 3.42Å; Q243-H247 PolarHBondContact O-N 2.87Å |
| 244 | A | 97.7 | Very high | 96.1 | Very high | 62 Ų | 62 | 114.3 Ų | 114.3 | 51% | 0.512 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.2 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R240 V241 R246 H247 L248 | R240-A244 WeakPolarHBondContact O-CB 3.47Å; R240-A244 PolarHBondContact O-N 3.17Å; V241-A244 PolarHBondContact O-N 3.24Å; A244-R246 PolarHBondContact O-N 3.37Å; A244-H247 PolarHBondContact O-N 3.46Å; A244-L248 WeakPolarHBondContact O-CB 3.32Å; A244-L248 PolarHBondContact O-N 3Å |
| 245 | Y | 98 | Very high | 95.9 | Very high | 137 Ų | 137 | 115.4 Ų | 115.4 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 174.7 | 178.3 | -95 | 0 | 0 | 0 | 112.6 | V241 Q243 L248 K249 | V241-Y245 WeakPolarHBondContact O-CB 3.46Å; V241-Y245 PolarHBondContact O-N 2.99Å; Q243-Y245 VanDerWaalsContact C-N 3.32Å; Q243-Y245 PolarHBondContact O-N 3.43Å; Y245-L248 PolarHBondContact O-N 3.07Å; Y245-K249 HydrophobicContact CE1-CD 3.96Å; Y245-K249 WeakPolarHBondContact O-CB 3.38Å; Y245-K249 PolarHBondContact O-N 2.99Å |
| 246 | R | 97.7 | Very high | 95.8 | Very high | 171 Ų | 171 | 117.8 Ų | 117.8 | 65% | 0.645 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -42.9 | 175.2 | -74.7 | 173.1 | 179.2 | -147.3 | -0.9 | 111.9 | V242 Q243 A244 K249 K250 | V242-R246 WeakPolarHBondContact O-CB 3.25Å; V242-R246 VanDerWaalsContact O-CG 3.27Å; V242-R246 WeakPolarHBondContact O-CG 3.48Å; V242-R246 PolarHBondContact O-N 3.32Å; Q243-R246 WeakPolarHBondContact O-CB 3.44Å; Q243-R246 PolarHBondContact O-N 3.08Å; Q243-R246 VanDerWaalsContact O-N 3.07Å; A244-R246 PolarHBondContact O-N 3.37Å; R246-K249 PolarHBondContact O-N 3.32Å; R246-K250 WeakPolarHBondContact O-CG 3.37Å; R246-K250 PolarHBondContact O-N 3.42Å |
| 247 | H | 97.2 | Very high | 95.5 | Very high | 121 Ų | 121 | 118.1 Ų | 118.1 | 56% | 0.56 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -46.9 | 176.1 | -74.6 | -72.2 | 0 | 0 | 0 | 111.8 | Q243 A244 K249 K250 Q251 | Q243-H247 PolarHBondContact O-CD2 3.42Å; Q243-H247 PolarHBondContact O-N 2.87Å; A244-H247 PolarHBondContact O-N 3.46Å; H247-K249 VanDerWaalsContact C-N 3.3Å; H247-K249 PolarHBondContact O-N 2.89Å; H247-K250 PolarHBondContact O-N 2.87Å; H247-Q251 WeakPolarHBondContact O-CG 3.39Å; H247-Q251 PolarHBondContact O-N 2.87Å |
| 248 | L | 96.9 | Very high | 95.1 | Very high | 85 Ų | 85 | 115.5 Ų | 115.5 | 45% | 0.445 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 175.2 | -170.1 | 83.2 | 0 | 0 | 0 | 111.7 | A244 Y245 Q251 K252 | A244-L248 WeakPolarHBondContact O-CB 3.32Å; A244-L248 PolarHBondContact O-N 3Å; Y245-L248 PolarHBondContact O-N 3.07Å; L248-Q251 PolarHBondContact O-N 2.95Å; L248-K252 WeakPolarHBondContact O-CG 3.19Å; L248-K252 PolarHBondContact O-N 3.41Å |
| 249 | K | 97.1 | Very high | 94.6 | Very high | 106 Ų | 106 | 113.4 Ų | 113.4 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | -179.8 | -166.8 | 164.1 | -175.3 | 171.5 | 0 | 112.1 | Y245 R246 H247 K252 Q253 | Y245-K249 HydrophobicContact CE1-CD 3.96Å; Y245-K249 WeakPolarHBondContact O-CB 3.38Å; Y245-K249 PolarHBondContact O-N 2.99Å; R246-K249 PolarHBondContact O-N 3.32Å; H247-K249 VanDerWaalsContact C-N 3.3Å; H247-K249 PolarHBondContact O-N 2.89Å; K249-K252 PolarHBondContact O-N 2.98Å; K249-Q253 WeakPolarHBondContact O-CG 3.32Å; K249-Q253 PolarHBondContact O-N 2.92Å |
| 250 | K | 96.6 | Very high | 94.2 | Very high | 131 Ų | 131 | 110 Ų | 110 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 172.3 | -75.6 | -174.8 | 172.5 | -166 | 0 | 112.4 | R246 H247 K252 Q253 H254 | R246-K250 WeakPolarHBondContact O-CG 3.37Å; R246-K250 PolarHBondContact O-N 3.42Å; H247-K250 PolarHBondContact O-N 2.87Å; K250-K252 VanDerWaalsContact C-N 3.33Å; K250-K252 PolarHBondContact O-N 3.31Å; K250-Q253 PolarHBondContact O-N 2.92Å; K250-H254 PolarHBondContact O-N 3.25Å |
| 251 | Q | 94.7 | Very high | 93.6 | Very high | 124 Ų | 124 | 105.7 Ų | 105.7 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.5 | -41.7 | 176.5 | -74.1 | 178.9 | -11.5 | 0 | 0 | 112.1 | H247 L248 Q253 H254 Q255 | H247-Q251 WeakPolarHBondContact O-CG 3.39Å; H247-Q251 PolarHBondContact O-N 2.87Å; L248-Q251 PolarHBondContact O-N 2.95Å; Q251-Q253 VanDerWaalsContact C-N 3.35Å; Q251-Q253 PolarHBondContact O-N 2.96Å; Q251-H254 PolarHBondContact O-N 2.75Å; Q251-Q255 WeakPolarHBondContact O-CG 3.43Å; Q251-Q255 PolarHBondContact O-N 2.75Å |
| 252 | K | 94.9 | Very high | 93 | Very high | 124 Ų | 124 | 102.3 Ų | 102.3 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 175.4 | -73.7 | -174.1 | 178.3 | -170.1 | 0 | 112.9 | L248 K249 K250 Q255 Q256 | L248-K252 WeakPolarHBondContact O-CG 3.19Å; L248-K252 PolarHBondContact O-N 3.41Å; K249-K252 PolarHBondContact O-N 2.98Å; K250-K252 VanDerWaalsContact C-N 3.33Å; K250-K252 PolarHBondContact O-N 3.31Å; K252-Q255 PolarHBondContact O-N 2.9Å; K252-Q256 WeakPolarHBondContact O-CG 3.36Å; K252-Q256 PolarHBondContact O-N 3.26Å |
| 253 | Q | 93.4 | Very high | 92.2 | Very high | 96 Ų | 96 | 103.9 Ų | 103.9 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 174.9 | -71.9 | 175.5 | -63.4 | 0 | 0 | 111.4 | K249 K250 Q251 Q255 Q256 E257 | K249-Q253 WeakPolarHBondContact O-CG 3.32Å; K249-Q253 PolarHBondContact O-N 2.92Å; K250-Q253 PolarHBondContact O-N 2.92Å; Q251-Q253 VanDerWaalsContact C-N 3.35Å; Q251-Q253 PolarHBondContact O-N 2.96Å; Q253-Q255 VanDerWaalsContact C-N 3.27Å; Q253-Q255 PolarHBondContact O-N 2.88Å; Q253-Q256 WeakPolarHBondContact O-CA 3.38Å; Q253-Q256 WeakPolarHBondContact O-CB 3.47Å; Q253-Q256 PolarHBondContact O-N 3.45Å; Q253-E257 WeakPolarHBondContact O-CG 3.4Å; Q253-E257 PolarHBondContact O-N 3.28Å |
| 254 | H | 90.9 | Very high | 91.4 | Very high | 118 Ų | 118 | 104.1 Ų | 104.1 | 55% | 0.546 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -34.2 | 175.9 | -68.7 | -40.4 | 0 | 0 | 0 | 113.4 | K250 Q251 Q256 E257 A258 | K250-H254 PolarHBondContact O-N 3.25Å; Q251-H254 PolarHBondContact O-N 2.75Å; H254-Q256 VanDerWaalsContact C-N 3.33Å; H254-E257 WeakPolarHBondContact CA-OE2 3.31Å; H254-E257 IonicContact CE1-OE2 2.82Å; H254-E257 IonicContact CG-OE2 2.7Å; H254-E257 IonicContact ND1-OE2 2.7Å; H254-E257 PolarHBondContact ND1-OE2 3.28Å; H254-A258 VanDerWaalsContact O-CB 3.24Å; H254-A258 WeakPolarHBondContact O-CB 3.43Å; H254-A258 PolarHBondContact O-N 2.9Å |
| 255 | Q | 90.2 | Very high | 90.6 | Very high | 114 Ų | 114 | 108.1 Ų | 108.1 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -31.3 | 171.9 | -74.1 | 178.3 | 9.1 | 0 | 0 | 113.1 | Q251 K252 Q253 K259 | Q251-Q255 WeakPolarHBondContact O-CG 3.43Å; Q251-Q255 PolarHBondContact O-N 2.75Å; K252-Q255 PolarHBondContact O-N 2.9Å; Q253-Q255 VanDerWaalsContact C-N 3.27Å; Q253-Q255 PolarHBondContact O-N 2.88Å; Q255-K259 WeakPolarHBondContact O-CB 3.02Å; Q255-K259 WeakPolarHBondContact O-CD 3.39Å; Q255-K259 WeakPolarHBondContact O-CG 3.22Å; Q255-K259 PolarHBondContact O-N 2.91Å |
| 256 | Q | 89.6 | Confident | 89.5 | Confident | 135 Ų | 135 | 107.5 Ų | 107.5 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -74.3 | -43.5 | 174.4 | -73.8 | 173.4 | -26.5 | 0 | 0 | 111.2 | K252 Q253 H254 K259 A260 | K252-Q256 WeakPolarHBondContact O-CG 3.36Å; K252-Q256 PolarHBondContact O-N 3.26Å; Q253-Q256 WeakPolarHBondContact O-CA 3.38Å; Q253-Q256 WeakPolarHBondContact O-CB 3.47Å; Q253-Q256 PolarHBondContact O-N 3.45Å; H254-Q256 VanDerWaalsContact C-N 3.33Å; Q256-K259 PolarHBondContact O-N 3.36Å; Q256-A260 WeakPolarHBondContact O-CB 3.45Å; Q256-A260 PolarHBondContact O-N 3.21Å |
| 257 | E | 90.4 | Very high | 88.4 | Confident | 103 Ų | 103 | 106.1 Ų | 106.1 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 174.3 | -68.1 | 160.5 | -175.5 | 0 | 0 | 111.7 | Q253 H254 K259 A260 T261 | Q253-E257 WeakPolarHBondContact O-CG 3.4Å; Q253-E257 PolarHBondContact O-N 3.28Å; H254-E257 WeakPolarHBondContact CA-OE2 3.31Å; H254-E257 IonicContact CE1-OE2 2.82Å; H254-E257 IonicContact CG-OE2 2.7Å; H254-E257 IonicContact ND1-OE2 2.7Å; H254-E257 PolarHBondContact ND1-OE2 3.28Å; E257-K259 VanDerWaalsContact C-N 3.32Å; E257-K259 PolarHBondContact O-N 2.83Å; E257-A260 PolarHBondContact O-N 2.99Å; E257-T261 WeakPolarHBondContact O-CB 3.31Å; E257-T261 WeakPolarHBondContact O-CG2 3.32Å; E257-T261 PolarHBondContact O-N 2.92Å; E257-T261 PolarHBondContact O-OG1 3.07Å |
| 258 | A | 87 | Confident | 87.2 | Confident | 64 Ų | 64 | 106.8 Ų | 106.8 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -35 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H254 T261 G262 | H254-A258 VanDerWaalsContact O-CB 3.24Å; H254-A258 WeakPolarHBondContact O-CB 3.43Å; H254-A258 PolarHBondContact O-N 2.9Å; A258-T261 WeakPolarHBondContact CA-OG1 3.5Å; A258-T261 PolarHBondContact O-OG1 3.02Å; A258-G262 PolarHBondContact O-N 3.46Å |
| 259 | K | 87.4 | Confident | 85.7 | Confident | 141 Ų | 141 | 109.5 Ų | 109.5 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.4 | -43.8 | 174.5 | -75.7 | 171.7 | -175.5 | -173.9 | 0 | 111.9 | Q255 Q256 E257 G262 I263 | Q255-K259 WeakPolarHBondContact O-CB 3.02Å; Q255-K259 WeakPolarHBondContact O-CD 3.39Å; Q255-K259 WeakPolarHBondContact O-CG 3.22Å; Q255-K259 PolarHBondContact O-N 2.91Å; Q256-K259 PolarHBondContact O-N 3.36Å; E257-K259 VanDerWaalsContact C-N 3.32Å; E257-K259 PolarHBondContact O-N 2.83Å; K259-G262 PolarHBondContact O-N 2.85Å; K259-I263 WeakPolarHBondContact O-CD1 3.49Å; K259-I263 VanDerWaalsContact O-CG1 3.28Å; K259-I263 WeakPolarHBondContact O-CG1 3.35Å; K259-I263 PolarHBondContact O-N 3.12Å |
| 260 | A | 87.2 | Confident | 83.6 | Confident | 48 Ų | 48 | 115.5 Ų | 115.5 | 40% | 0.397 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.1 | -51.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q256 E257 G262 I263 E264 | Q256-A260 WeakPolarHBondContact O-CB 3.45Å; Q256-A260 PolarHBondContact O-N 3.21Å; E257-A260 PolarHBondContact O-N 2.99Å; A260-G262 VanDerWaalsContact C-N 3.29Å; A260-G262 PolarHBondContact O-N 3.48Å; A260-I263 PolarHBondContact O-N 3.29Å; A260-I263 VanDerWaalsContact O-N 3.1Å; A260-E264 PolarHBondContact O-N 3.49Å |
| 261 | T | 85.3 | Confident | 82.9 | Confident | 68 Ų | 68 | 114.8 Ų | 114.8 | 42% | 0.417 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.9 | -31.8 | 177 | 52.9 | 0 | 0 | 0 | 0 | 113 | E257 A258 K265 | E257-T261 WeakPolarHBondContact O-CB 3.31Å; E257-T261 WeakPolarHBondContact O-CG2 3.32Å; E257-T261 PolarHBondContact O-N 2.92Å; E257-T261 PolarHBondContact O-OG1 3.07Å; A258-T261 WeakPolarHBondContact CA-OG1 3.5Å; A258-T261 PolarHBondContact O-OG1 3.02Å; T261-K265 VanDerWaalsContact O-CG 3.28Å; T261-K265 WeakPolarHBondContact O-CG 3.44Å; T261-K265 PolarHBondContact O-N 3.42Å |
| 262 | G | 84.9 | Confident | 82.3 | Confident | 30 Ų | 30 | 114.3 Ų | 114.3 | 31% | 0.309 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -42.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | A258 K259 A260 K265 L266 | A258-G262 PolarHBondContact O-N 3.46Å; K259-G262 PolarHBondContact O-N 2.85Å; A260-G262 VanDerWaalsContact C-N 3.29Å; A260-G262 PolarHBondContact O-N 3.48Å; G262-K265 PolarHBondContact O-N 3.33Å; G262-L266 WeakPolarHBondContact O-CG 3.32Å; G262-L266 PolarHBondContact O-N 2.9Å; G262-L266 VanDerWaalsContact O-N 3.17Å |
| 263 | I | 81.4 | Confident | 81.6 | Confident | 94 Ų | 94 | 113.7 Ų | 113.7 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.4 | -41.6 | 176.5 | -68.9 | 162.3 | 0 | 0 | 0 | 111 | K259 A260 L266 K267 | K259-I263 WeakPolarHBondContact O-CD1 3.49Å; K259-I263 VanDerWaalsContact O-CG1 3.28Å; K259-I263 WeakPolarHBondContact O-CG1 3.35Å; K259-I263 PolarHBondContact O-N 3.12Å; A260-I263 PolarHBondContact O-N 3.29Å; A260-I263 VanDerWaalsContact O-N 3.1Å; I263-L266 PolarHBondContact O-N 3.16Å; I263-K267 HydrophobicContact CG2-CD 4.47Å; I263-K267 WeakPolarHBondContact O-CG 3.45Å; I263-K267 PolarHBondContact O-N 3.02Å; I263-K267 VanDerWaalsContact O-N 3.08Å |
| 264 | E | 80.9 | Confident | 80.9 | Confident | 115 Ų | 115 | 114.8 Ų | 114.8 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.2 | -43.6 | 175.7 | -72.3 | 175.6 | 169.2 | 0 | 0 | 112.1 | A260 L266 K267 N268 | A260-E264 PolarHBondContact O-N 3.49Å; E264-L266 VanDerWaalsContact C-N 3.3Å; E264-L266 PolarHBondContact O-N 2.93Å; E264-K267 PolarHBondContact O-N 2.9Å; E264-K267 VanDerWaalsContact O-N 3.17Å; E264-N268 VanDerWaalsContact O-CG 3.25Å; E264-N268 PolarHBondContact O-N 3.31Å; E264-N268 PolarHBondContact O-ND2 3.08Å |
| 265 | K | 80.2 | Confident | 80.3 | Confident | 146 Ų | 146 | 114.6 Ų | 114.6 | 64% | 0.635 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60 | -38.2 | 175.3 | -75.2 | 173.7 | -178.8 | -177.5 | 0 | 112.8 | T261 G262 N268 L269 | T261-K265 VanDerWaalsContact O-CG 3.28Å; T261-K265 WeakPolarHBondContact O-CG 3.44Å; T261-K265 PolarHBondContact O-N 3.42Å; G262-K265 PolarHBondContact O-N 3.33Å; K265-N268 PolarHBondContact O-N 3.26Å; K265-L269 WeakPolarHBondContact O-CD1 3.48Å; K265-L269 WeakPolarHBondContact O-CG 3.42Å |
| 266 | L | 74.9 | Confident | 79.6 | Confident | 124 Ų | 124 | 114.6 Ų | 114.6 | 65% | 0.649 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.4 | -34.4 | 176.4 | -71 | 171.1 | 0 | 0 | 0 | 112.6 | G262 I263 E264 | G262-L266 WeakPolarHBondContact O-CG 3.32Å; G262-L266 PolarHBondContact O-N 2.9Å; G262-L266 VanDerWaalsContact O-N 3.17Å; I263-L266 PolarHBondContact O-N 3.16Å; E264-L266 VanDerWaalsContact C-N 3.3Å; E264-L266 PolarHBondContact O-N 2.93Å |
| 267 | K | 74.4 | Confident | 78.9 | Confident | 142 Ų | 142 | 113.1 Ų | 113.1 | 62% | 0.617 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.4 | -32.2 | 174.5 | -71.9 | 178.2 | 177.2 | -174.7 | 0 | 113.1 | I263 E264 L269 | I263-K267 HydrophobicContact CG2-CD 4.47Å; I263-K267 WeakPolarHBondContact O-CG 3.45Å; I263-K267 PolarHBondContact O-N 3.02Å; I263-K267 VanDerWaalsContact O-N 3.08Å; E264-K267 PolarHBondContact O-N 2.9Å; E264-K267 VanDerWaalsContact O-N 3.17Å; K267-L269 PolarHBondContact O-N 3.23Å |
| 268 | N | 72.5 | Confident | 78.1 | Confident | 134 Ų | 134 | 113.9 Ų | 113.9 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 10.2 | -179.4 | -61.5 | -14.1 | 0 | 0 | 0 | 113.6 | E264 K265 | E264-N268 VanDerWaalsContact O-CG 3.25Å; E264-N268 PolarHBondContact O-N 3.31Å; E264-N268 PolarHBondContact O-ND2 3.08Å; K265-N268 PolarHBondContact O-N 3.26Å |
| 269 | L | 66.4 | Low | 77.3 | Confident | 143 Ų | 143 | 118.1 Ų | 118.1 | 75% | 0.749 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 8.5 | 176.9 | -76 | 168.2 | 0 | 0 | 0 | 112.6 | K265 K267 | K265-L269 WeakPolarHBondContact O-CD1 3.48Å; K265-L269 WeakPolarHBondContact O-CG 3.42Å; K267-L269 PolarHBondContact O-N 3.23Å |
| 270 | Q | 52.1 | Low | 76.4 | Confident | 232 Ų | 232 | 116 Ų | 116 | 100% | 1.084 | 60% | 0.599 | S | S | * | * | trans | -109.8 | 0 | 169.6 | -66.8 | -170.9 | -51.1 | 0 | 0 | 109.7 |
Retrieved 270 of 270 residues in 188.5 ms
(Link to these results)