| 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 | 44.5 | Very low | 48.5 | Very low | 238 Ų | 238 | 137.6 Ų | 137.6 | 100% | 1.172 | 77% | 0.767 | S | S | * | * | 0 | 108.6 | 0 | -158.7 | 67 | 168.3 | 0 | 0 | 107.3 | |||||
| 2 | A | 42 | Very low | 48.7 | Very low | 83 Ų | 83 | 139.9 Ų | 139.9 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | -75.1 | 122.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | I4 | A2-I4 VanDerWaalsContact C-N 3.31Å; A2-I4 HydrophobicContact CB-CG1 4.39Å; A2-I4 PolarHBondContact O-N 2.81Å | ||
| 3 | I | 40.2 | Very low | 48.7 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -76.5 | 92.8 | 168.9 | -63.1 | 173.3 | 0 | 0 | 0 | 106 | N5 | I3-N5 PolarHBondContact O-N 3.19Š| ||
| 4 | I | 47.5 | Very low | 49.4 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | -73 | 116.8 | 174.3 | -65.3 | 170.1 | 0 | 0 | 0 | 108 | A2 | A2-I4 VanDerWaalsContact C-N 3.31Å; A2-I4 HydrophobicContact CB-CG1 4.39Å; A2-I4 PolarHBondContact O-N 2.81Å | ||
| 5 | N | 47 | Very low | 50 | Low | 134 Ų | 134 | 144.5 Ų | 144.5 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | 15.6 | 108.2 | 145.5 | -66.8 | -19.1 | 0 | 0 | 0 | 117.7 | I3 | I3-N5 PolarHBondContact O-N 3.19Š| ||
| 6 | N | 47.3 | Very low | 50.4 | Low | 133 Ų | 133 | 145.9 Ų | 145.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -150.1 | 63.3 | 143.2 | -115.1 | -19.9 | 0 | 0 | 0 | 109.9 | V8 S9 | N6-V8 PolarHBondContact O-N 3.33Å; N6-S9 PolarHBondContact O-OG 2.99Å | ||
| 7 | S | 55.2 | Low | 50.5 | Low | 94 Ų | 94 | 148.4 Ų | 148.4 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -0 | -178.8 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 8 | V | 54.1 | Low | 50.6 | Low | 120 Ų | 120 | 148 Ų | 148 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -21.4 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | N6 | N6-V8 PolarHBondContact O-N 3.33Š|
| 9 | S | 51.6 | Low | 50.4 | Low | 94 Ų | 94 | 149.6 Ų | 149.6 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -95.1 | 3.5 | -175.2 | 44.9 | 0 | 0 | 0 | 0 | 115.3 | N6 Q11 | N6-S9 PolarHBondContact O-OG 2.99Å; S9-Q11 VanDerWaalsContact C-N 3.34Å; S9-Q11 PolarHBondContact O-N 3.49Å |
| 10 | L | 51.7 | Low | 50.3 | Low | 146 Ų | 146 | 151.2 Ų | 151.2 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -85.3 | 1.6 | -179.7 | -86.3 | 162.7 | 0 | 0 | 0 | 114.6 | ||
| 11 | Q | 52.7 | Low | 50.4 | Low | 157 Ų | 157 | 148.9 Ų | 148.9 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -87 | -0.2 | -173 | -74.8 | -173 | -20.3 | 0 | 0 | 116.2 | S9 | S9-Q11 VanDerWaalsContact C-N 3.34Å; S9-Q11 PolarHBondContact O-N 3.49Å |
| 12 | H | 50.1 | Low | 50.8 | Low | 165 Ų | 165 | 141.1 Ų | 141.1 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -135.3 | 30.3 | -173.5 | -61.8 | 102.5 | 0 | 0 | 0 | 115.5 | Q14 | H12-Q14 PolarHBondContact O-N 3.41Š|
| 13 | Y | 48.9 | Very low | 51.2 | Low | 224 Ų | 224 | 143.8 Ų | 143.8 | 88% | 0.878 | 73% | 0.73 | S | S | * | * | trans | -80.7 | 68.1 | 166.9 | -129.8 | -89.1 | 0 | 0 | 0 | 110.3 | P15 | Y13-P15 WeakPolarHBondContact O-CD 3.4Š| ||
| 14 | Q | 58.8 | Low | 51.9 | Low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -76.9 | 119.2 | 162.4 | -93.4 | 177.5 | -21.2 | 0 | 0 | 107.9 | H12 L16 | H12-Q14 PolarHBondContact O-N 3.41Å; Q14-L16 PolarHBondContact O-N 3.47Å | ||
| 15 | P | 58.4 | Low | 52.2 | Low | 93 Ų | 93 | 136.5 Ų | 136.5 | 60% | 0.604 | 70% | 0.698 | S | S | * | * | trans | -62.8 | 112.2 | 175.7 | 22.8 | -28.9 | 0 | 0 | 0 | 109.3 | Y13 F17 | Y13-P15 WeakPolarHBondContact O-CD 3.4Å; P15-F17 HydrophobicContact CB-CD2 3.9Å; P15-F17 PolarHBondContact O-N 3.07Å | ||
| 16 | L | 56.1 | Low | 52.5 | Low | 166 Ų | 166 | 137.1 Ų | 137.1 | 87% | 0.869 | 69% | 0.694 | S | S | * | * | trans | -69.1 | 40 | 171.2 | -98.8 | 145.9 | 0 | 0 | 0 | 112.2 | Q14 | Q14-L16 PolarHBondContact O-N 3.47Š| ||
| 17 | F | 52.2 | Low | 52.8 | Low | 188 Ų | 188 | 135.4 Ų | 135.4 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | trans | -97.1 | 7.5 | -174 | -83.8 | -76.2 | 0 | 0 | 0 | 115 | P15 | P15-F17 HydrophobicContact CB-CD2 3.9Å; P15-F17 PolarHBondContact O-N 3.07Å | ||
| 18 | D | 52.3 | Low | 52.6 | Low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -90.6 | -1 | 179 | -70 | -26.7 | 0 | 0 | 0 | 114.7 | ||
| 19 | Y | 47.1 | Very low | 52.6 | Low | 179 Ų | 179 | 133.7 Ų | 133.7 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -118.8 | 63.3 | -164.1 | -119.8 | -89.9 | 0 | 0 | 0 | 114.3 | ||
| 20 | K | 48.1 | Very low | 52.6 | Low | 181 Ų | 181 | 138.2 Ų | 138.2 | 79% | 0.787 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -169.1 | -9.2 | 153.5 | -107.2 | 160.3 | -166.5 | -172.9 | 0 | 116.5 | S24 | K20-S24 PolarHBondContact O-OG 3.28Å; K20-S24 VanDerWaalsContact O-OG 3.04Å |
| 21 | V | 51.8 | Low | 52.7 | Low | 103 Ų | 103 | 139.5 Ų | 139.5 | 62% | 0.624 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -92.5 | -31.7 | -177.6 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | S24 I25 | V21-S24 PolarHBondContact O-N 3.15Å; V21-I25 HydrophobicContact CG1-CD1 3.79Å; V21-I25 HydrophobicContact CG1-CG1 4.36Å; V21-I25 WeakPolarHBondContact O-CG1 3.44Å; V21-I25 PolarHBondContact O-N 3.2Å; V21-I25 VanDerWaalsContact O-N 3.13Å |
| 22 | S | 53.7 | Low | 52.9 | Low | 74 Ų | 74 | 139.9 Ų | 139.9 | 52% | 0.517 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -71.3 | -34.6 | -176.8 | 63.3 | 0 | 0 | 0 | 0 | 114.5 | K26 | S22-K26 PolarHBondContact O-N 3.38Å |
| 23 | K | 50.7 | Low | 53.1 | Low | 139 Ų | 139 | 139.6 Ų | 139.6 | 60% | 0.604 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.9 | -36.4 | 174 | -75.3 | -173.8 | -179.9 | 179.4 | 0 | 112 | N27 | K23-N27 WeakPolarHBondContact O-CB 3.4Å; K23-N27 PolarHBondContact O-N 3.04Å; K23-N27 VanDerWaalsContact O-N 3.07Å |
| 24 | S | 53.9 | Low | 53.5 | Low | 64 Ų | 64 | 134.7 Ų | 134.7 | 45% | 0.448 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -66.9 | -42.4 | 179.1 | -55.2 | 0 | 0 | 0 | 0 | 111 | K20 V21 N27 I28 | K20-S24 PolarHBondContact O-OG 3.28Å; K20-S24 VanDerWaalsContact O-OG 3.04Å; V21-S24 PolarHBondContact O-N 3.15Å; S24-N27 PolarHBondContact O-N 2.92Å; S24-I28 WeakPolarHBondContact O-CD1 3.44Å; S24-I28 WeakPolarHBondContact O-CG1 3.39Å; S24-I28 PolarHBondContact O-N 3.37Å |
| 25 | I | 53.6 | Low | 53.6 | Low | 99 Ų | 99 | 131.2 Ų | 131.2 | 51% | 0.508 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.3 | -41.7 | 177.2 | -63.6 | 170.5 | 0 | 0 | 0 | 111.7 | V21 N27 I28 T29 | V21-I25 HydrophobicContact CG1-CD1 3.79Å; V21-I25 HydrophobicContact CG1-CG1 4.36Å; V21-I25 WeakPolarHBondContact O-CG1 3.44Å; V21-I25 PolarHBondContact O-N 3.2Å; V21-I25 VanDerWaalsContact O-N 3.13Å; I25-N27 VanDerWaalsContact C-N 3.28Å; I25-N27 PolarHBondContact O-N 3.04Å; I25-I28 PolarHBondContact O-N 3.07Å; I25-T29 PolarHBondContact O-N 2.93Å; I25-T29 VanDerWaalsContact O-N 3.13Å; I25-T29 PolarHBondContact O-OG1 3.18Å |
| 26 | K | 54.2 | Low | 53.7 | Low | 147 Ų | 147 | 138.6 Ų | 138.6 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.2 | -29.2 | 174.9 | -82.6 | -177.6 | 176.8 | 177.5 | 0 | 113.4 | S22 T29 R30 | S22-K26 PolarHBondContact O-N 3.38Å; K26-T29 PolarHBondContact O-OG1 3.45Å; K26-R30 WeakPolarHBondContact O-CG 3.48Å; K26-R30 PolarHBondContact O-N 3.36Å |
| 27 | N | 52.8 | Low | 54.1 | Low | 97 Ų | 97 | 134.7 Ų | 134.7 | 52% | 0.519 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -81.1 | -29.8 | 175.6 | -78.4 | -14.3 | 0 | 0 | 0 | 113 | K23 S24 I25 K31 | K23-N27 WeakPolarHBondContact O-CB 3.4Å; K23-N27 PolarHBondContact O-N 3.04Å; K23-N27 VanDerWaalsContact O-N 3.07Å; S24-N27 PolarHBondContact O-N 2.92Å; I25-N27 VanDerWaalsContact C-N 3.28Å; I25-N27 PolarHBondContact O-N 3.04Å; N27-K31 WeakPolarHBondContact O-CG 3.37Å; N27-K31 PolarHBondContact O-N 3.17Å |
| 28 | I | 52.3 | Low | 54.6 | Low | 97 Ų | 97 | 127.8 Ų | 127.8 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71 | -36.8 | 176 | -68 | 161.1 | 0 | 0 | 0 | 110.9 | S24 I25 | S24-I28 WeakPolarHBondContact O-CD1 3.44Å; S24-I28 WeakPolarHBondContact O-CG1 3.39Å; S24-I28 PolarHBondContact O-N 3.37Å; I25-I28 PolarHBondContact O-N 3.07Å |
| 29 | T | 53.7 | Low | 55.4 | Low | 80 Ų | 80 | 125.3 Ų | 125.3 | 49% | 0.491 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.4 | -35.1 | 176.9 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | I25 K26 | I25-T29 PolarHBondContact O-N 2.93Å; I25-T29 VanDerWaalsContact O-N 3.13Å; I25-T29 PolarHBondContact O-OG1 3.18Å; K26-T29 PolarHBondContact O-OG1 3.45Å |
| 30 | R | 51.9 | Low | 56.9 | Low | 190 Ų | 190 | 120.3 Ų | 120.3 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.1 | -37.5 | 175.2 | -72.7 | -179.3 | -179.2 | -152 | -0.7 | 113.3 | K26 K32 H33 | K26-R30 WeakPolarHBondContact O-CG 3.48Å; K26-R30 PolarHBondContact O-N 3.36Å; R30-K32 VanDerWaalsContact C-N 3.3Å; R30-K32 PolarHBondContact O-N 3.3Å; R30-H33 PolarHBondContact O-N 3.42Å |
| 31 | K | 53.7 | Low | 58.4 | Low | 172 Ų | 172 | 118.2 Ų | 118.2 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.3 | -21.2 | -179.9 | -77.6 | -172.9 | 176.8 | -173.3 | 0 | 114.2 | N27 | N27-K31 WeakPolarHBondContact O-CG 3.37Å; N27-K31 PolarHBondContact O-N 3.17Å |
| 32 | K | 56.4 | Low | 59.8 | Low | 166 Ų | 166 | 120.8 Ų | 120.8 | 72% | 0.722 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -13.3 | 179.2 | -71.2 | -171.7 | 179.2 | -175.1 | 0 | 114.2 | R30 | R30-K32 VanDerWaalsContact C-N 3.3Å; R30-K32 PolarHBondContact O-N 3.3Å |
| 33 | H | 55 | Low | 60.9 | Low | 159 Ų | 159 | 122 Ų | 122 | 74% | 0.736 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -105.7 | 7 | -176.4 | -88.1 | -72.3 | 0 | 0 | 0 | 115.3 | R30 T35 | R30-H33 PolarHBondContact O-N 3.42Å; H33-T35 PolarHBondContact O-N 3.22Å |
| 34 | T | 56.3 | Low | 62.1 | Low | 120 Ų | 120 | 118.5 Ų | 118.5 | 74% | 0.736 | 60% | 0.604 | S | S | * | * | trans | -84 | 46.8 | 173.7 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 35 | T | 61.2 | Low | 63.3 | Low | 99 Ų | 99 | 120 Ų | 120 | 61% | 0.607 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -86.6 | 106.1 | 150.4 | 43.1 | 0 | 0 | 0 | 0 | 105.2 | H33 A37 | H33-T35 PolarHBondContact O-N 3.22Å; T35-A37 PolarHBondContact O-N 2.83Å |
| 36 | R | 61 | Low | 64.5 | Low | 249 Ų | 249 | 123 Ų | 123 | 94% | 0.94 | 61% | 0.614 | S | S | * | * | trans | -41.3 | 112.8 | 169.7 | -97 | 178 | 161.7 | 162.5 | -6.3 | 107.6 | ||||
| 37 | A | 64.7 | Low | 65.4 | Low | 83 Ų | 83 | 122 Ų | 122 | 69% | 0.686 | 61% | 0.607 | S | S | * | * | trans | -58.7 | 137.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | T35 A39 | T35-A37 PolarHBondContact O-N 2.83Å; A37-A39 PolarHBondContact O-N 3.01Å | ||
| 38 | P | 61.7 | Low | 66.3 | Low | 44 Ų | 44 | 120.5 Ų | 120.5 | 29% | 0.286 | 60% | 0.598 | S | S | . | * | trans | -56.8 | 125.1 | 173.8 | 23.5 | -31.2 | 0 | 0 | 0 | 108.5 | T40 E43 L44 | P38-T40 PolarHBondContact O-N 3.48Å; P38-E43 VanDerWaalsContact CB-C 3.46Å; P38-E43 HydrophobicContact CB-CB 3.46Å; P38-E43 VanDerWaalsContact CB-CB 3.46Å; P38-L44 HydrophobicContact CB-CB 3.91Å; P38-L44 HydrophobicContact CG-CB 3.58Å; P38-L44 HydrophobicContact CG-CD1 3.61Å; P38-L44 HydrophobicContact CG-CG 4.16Å | ||
| 39 | A | 69.6 | Low | 67.2 | Low | 90 Ų | 90 | 124.2 Ų | 124.2 | 74% | 0.744 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -75.4 | -19.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A37 E43 | A37-A39 PolarHBondContact O-N 3.01Å; A39-E43 PolarHBondContact N-OE2 3.43Å |
| 40 | T | 78.6 | Confident | 68 | Low | 73 Ų | 73 | 127.3 Ų | 127.3 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -131.4 | 156.5 | -178.7 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | P38 E42 E43 L44 | P38-T40 PolarHBondContact O-N 3.48Å; T40-E42 PolarHBondContact O-N 3.5Å; T40-E43 PolarHBondContact O-N 3.33Å; T40-E43 VanDerWaalsContact O-N 3.15Å; T40-E43 WeakPolarHBondContact OG1-CG 3.33Å; T40-E43 PolarHBondContact OG1-N 2.98Å; T40-L44 PolarHBondContact O-N 3.23Å; T40-L44 VanDerWaalsContact O-N 3.07Å |
| 41 | M | 79.6 | Confident | 68.6 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -57.7 | -35.9 | 176.5 | -172.3 | 64.2 | 80.6 | 0 | 0 | 111.8 | L44 E45 | M41-L44 WeakPolarHBondContact O-CB 3.5Å; M41-L44 PolarHBondContact O-N 2.89Å; M41-L44 HydrophobicContact SD-CD2 4.02Å; M41-E45 PolarHBondContact O-N 3.42Å |
| 42 | E | 81.7 | Confident | 68.8 | Low | 158 Ų | 158 | 119.5 Ų | 119.5 | 74% | 0.738 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.7 | -41.3 | 177.1 | -168.5 | 179.8 | 178.9 | 0 | 0 | 112.3 | T40 L44 E45 K46 | T40-E42 PolarHBondContact O-N 3.5Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.39Å; E42-E45 PolarHBondContact O-N 2.89Å; E42-K46 WeakPolarHBondContact O-CB 3.27Å; E42-K46 PolarHBondContact O-N 2.96Å |
| 43 | E | 77.1 | Confident | 68.9 | Low | 98 Ų | 98 | 115.8 Ų | 115.8 | 46% | 0.458 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.5 | -35.3 | 173.5 | -74.5 | -175.7 | 162.3 | 0 | 0 | 111.9 | P38 A39 T40 K46 Y47 | P38-E43 VanDerWaalsContact CB-C 3.46Å; P38-E43 HydrophobicContact CB-CB 3.46Å; P38-E43 VanDerWaalsContact CB-CB 3.46Å; A39-E43 PolarHBondContact N-OE2 3.43Å; T40-E43 PolarHBondContact O-N 3.33Å; T40-E43 VanDerWaalsContact O-N 3.15Å; T40-E43 WeakPolarHBondContact OG1-CG 3.33Å; T40-E43 PolarHBondContact OG1-N 2.98Å; E43-K46 PolarHBondContact O-N 3.4Å; E43-Y47 WeakPolarHBondContact O-CB 3.38Å; E43-Y47 PolarHBondContact O-N 2.98Å |
| 44 | L | 75.9 | Confident | 69 | Low | 67 Ų | 67 | 118.4 Ų | 118.4 | 35% | 0.351 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.4 | -46.2 | 176.1 | 179.1 | 62.9 | 0 | 0 | 0 | 110.8 | P38 T40 M41 E42 K46 Y47 I48 | P38-L44 HydrophobicContact CB-CB 3.91Å; P38-L44 HydrophobicContact CG-CB 3.58Å; P38-L44 HydrophobicContact CG-CD1 3.61Å; P38-L44 HydrophobicContact CG-CG 4.16Å; T40-L44 PolarHBondContact O-N 3.23Å; T40-L44 VanDerWaalsContact O-N 3.07Å; M41-L44 WeakPolarHBondContact O-CB 3.5Å; M41-L44 PolarHBondContact O-N 2.89Å; M41-L44 HydrophobicContact SD-CD2 4.02Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.39Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 2.86Å; L44-Y47 PolarHBondContact O-N 2.86Å; L44-I48 HydrophobicContact CD1-CD1 4.04Å; L44-I48 HydrophobicContact CD1-CG1 4.31Å; L44-I48 HydrophobicContact CG-CD1 3.88Å; L44-I48 VanDerWaalsContact O-CG1 3.27Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.13Å |
| 45 | E | 78.5 | Confident | 69.1 | Low | 94 Ų | 94 | 121 Ų | 121 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.8 | -45.2 | 174.1 | -75.3 | -167.5 | -163.2 | 0 | 0 | 111.9 | M41 E42 Y47 I48 R49 | M41-E45 PolarHBondContact O-N 3.42Å; E42-E45 PolarHBondContact O-N 2.89Å; E45-Y47 VanDerWaalsContact C-N 3.32Å; E45-Y47 PolarHBondContact O-N 3.26Å; E45-I48 PolarHBondContact O-N 3.05Å; E45-R49 WeakPolarHBondContact O-CG 3.34Å; E45-R49 PolarHBondContact O-N 3.44Å; E45-R49 IonicContact OE2-CZ 3.97Å; E45-R49 IonicContact OE2-NH2 2.98Å; E45-R49 PolarHBondContact OE2-NH2 3.3Å |
| 46 | K | 78.2 | Confident | 68.8 | Low | 164 Ų | 164 | 121 Ų | 121 | 71% | 0.713 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.7 | -41.4 | 177.2 | -169.7 | 174.9 | -176.5 | 174.4 | 0 | 111.6 | E42 E43 L44 K50 | E42-K46 WeakPolarHBondContact O-CB 3.27Å; E42-K46 PolarHBondContact O-N 2.96Å; E43-K46 PolarHBondContact O-N 3.4Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 2.86Å; K46-K50 WeakPolarHBondContact O-CB 3.41Å; K46-K50 PolarHBondContact O-N 3.23Å |
| 47 | Y | 73.6 | Confident | 68.7 | Low | 124 Ų | 124 | 114.3 Ų | 114.3 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.7 | -43.8 | 174.8 | -177.2 | -98.8 | 0 | 0 | 0 | 112 | E43 L44 E45 K50 T51 | E43-Y47 WeakPolarHBondContact O-CB 3.38Å; E43-Y47 PolarHBondContact O-N 2.98Å; L44-Y47 PolarHBondContact O-N 2.86Å; E45-Y47 VanDerWaalsContact C-N 3.32Å; E45-Y47 PolarHBondContact O-N 3.26Å; Y47-K50 PolarHBondContact O-N 3Å; Y47-T51 HydrophobicContact CD1-CG2 4.11Å; Y47-T51 HydrophobicContact CD2-CG2 4.47Å; Y47-T51 HydrophobicContact CE1-CG2 3.69Å; Y47-T51 HydrophobicContact CE2-CG2 4.08Å; Y47-T51 HydrophobicContact CG-CG2 4.47Å; Y47-T51 WeakPolarHBondContact O-CB 3.34Å; Y47-T51 WeakPolarHBondContact O-CG2 3.17Å; Y47-T51 PolarHBondContact O-N 3.23Å; Y47-T51 PolarHBondContact O-OG1 3.13Å |
| 48 | I | 71.8 | Confident | 68.4 | Low | 67 Ų | 67 | 112 Ų | 112 | 34% | 0.344 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.6 | -44.8 | 177.5 | -68.4 | 167.5 | 0 | 0 | 0 | 110.9 | L44 E45 K50 T51 K52 | L44-I48 HydrophobicContact CD1-CD1 4.04Å; L44-I48 HydrophobicContact CD1-CG1 4.31Å; L44-I48 HydrophobicContact CG-CD1 3.88Å; L44-I48 VanDerWaalsContact O-CG1 3.27Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.13Å; E45-I48 PolarHBondContact O-N 3.05Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 3.49Å; I48-T51 WeakPolarHBondContact CA-OG1 3.37Å; I48-T51 PolarHBondContact O-N 2.91Å; I48-T51 PolarHBondContact O-OG1 3.04Å; I48-K52 HydrophobicContact CG2-CD 4.2Å; I48-K52 HydrophobicContact CG2-CG 4.4Å; I48-K52 WeakPolarHBondContact O-CB 3.39Å; I48-K52 WeakPolarHBondContact O-CG 3.44Å; I48-K52 PolarHBondContact O-N 2.98Å |
| 49 | R | 71.4 | Confident | 68.1 | Low | 175 Ų | 175 | 117.1 Ų | 117.1 | 66% | 0.66 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.7 | -44.7 | 175.9 | -69.3 | 178.8 | -158.9 | -165.2 | 9.3 | 111.2 | E45 T51 K52 S53 | E45-R49 WeakPolarHBondContact O-CG 3.34Å; E45-R49 PolarHBondContact O-N 3.44Å; E45-R49 IonicContact OE2-CZ 3.97Å; E45-R49 IonicContact OE2-NH2 2.98Å; E45-R49 PolarHBondContact OE2-NH2 3.3Å; R49-T51 PolarHBondContact O-N 3.44Å; R49-K52 PolarHBondContact O-N 3Å; R49-S53 PolarHBondContact O-N 3.49Å |
| 50 | K | 69.6 | Low | 67.5 | Low | 144 Ų | 144 | 117.1 Ų | 117.1 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.8 | -38 | 177.8 | -171.3 | 175.9 | -178.4 | 177.4 | 0 | 112.9 | K46 Y47 I48 | K46-K50 WeakPolarHBondContact O-CB 3.41Å; K46-K50 PolarHBondContact O-N 3.23Å; Y47-K50 PolarHBondContact O-N 3Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 3.49Å |
| 51 | T | 64.2 | Low | 66.6 | Low | 49 Ų | 49 | 120.4 Ų | 120.4 | 30% | 0.301 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.4 | -34.8 | 179.3 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | Y47 I48 R49 S53 R54 | Y47-T51 HydrophobicContact CD1-CG2 4.11Å; Y47-T51 HydrophobicContact CD2-CG2 4.47Å; Y47-T51 HydrophobicContact CE1-CG2 3.69Å; Y47-T51 HydrophobicContact CE2-CG2 4.08Å; Y47-T51 HydrophobicContact CG-CG2 4.47Å; Y47-T51 WeakPolarHBondContact O-CB 3.34Å; Y47-T51 WeakPolarHBondContact O-CG2 3.17Å; Y47-T51 PolarHBondContact O-N 3.23Å; Y47-T51 PolarHBondContact O-OG1 3.13Å; I48-T51 WeakPolarHBondContact CA-OG1 3.37Å; I48-T51 PolarHBondContact O-N 2.91Å; I48-T51 PolarHBondContact O-OG1 3.04Å; R49-T51 PolarHBondContact O-N 3.44Å; T51-S53 VanDerWaalsContact C-N 3.31Å; T51-S53 PolarHBondContact O-N 3.2Å; T51-R54 PolarHBondContact O-N 3.44Å |
| 52 | K | 58 | Low | 65.9 | Low | 150 Ų | 150 | 121.3 Ų | 121.3 | 65% | 0.652 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.8 | -36 | 172.1 | -76.3 | -175.6 | 178.8 | -177.1 | 0 | 112.2 | I48 R49 R54 K55 | I48-K52 HydrophobicContact CG2-CD 4.2Å; I48-K52 HydrophobicContact CG2-CG 4.4Å; I48-K52 WeakPolarHBondContact O-CB 3.39Å; I48-K52 WeakPolarHBondContact O-CG 3.44Å; I48-K52 PolarHBondContact O-N 2.98Å; R49-K52 PolarHBondContact O-N 3Å; K52-R54 PolarHBondContact O-N 3.24Å; K52-R54 VanDerWaalsContact O-N 3.17Å; K52-K55 PolarHBondContact O-N 3.46Å |
| 53 | S | 58.3 | Low | 65.1 | Low | 88 Ų | 88 | 117.1 Ų | 117.1 | 62% | 0.615 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.4 | -27.1 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 113.7 | R49 T51 V56 | R49-S53 PolarHBondContact O-N 3.49Å; T51-S53 VanDerWaalsContact C-N 3.31Å; T51-S53 PolarHBondContact O-N 3.2Å; S53-V56 WeakPolarHBondContact O-CG2 3.38Å |
| 54 | R | 59.1 | Low | 64.6 | Low | 214 Ų | 214 | 119 Ų | 119 | 81% | 0.808 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -9.6 | 176.2 | -68.8 | -175.8 | 177 | 178.8 | -3.2 | 114.3 | T51 K52 V56 | T51-R54 PolarHBondContact O-N 3.44Å; K52-R54 PolarHBondContact O-N 3.24Å; K52-R54 VanDerWaalsContact O-N 3.17Å; R54-V56 VanDerWaalsContact C-N 3.32Å; R54-V56 PolarHBondContact O-N 3.17Å |
| 55 | K | 56.6 | Low | 64.6 | Low | 175 Ų | 175 | 120.2 Ų | 120.2 | 76% | 0.761 | 57% | 0.574 | S | S | * | * | trans | -96.8 | 45.5 | 176 | -66.3 | -171.5 | 179.3 | -174.4 | 0 | 111.1 | K52 | K52-K55 PolarHBondContact O-N 3.46Š| ||
| 56 | V | 56 | Low | 64.4 | Low | 97 Ų | 97 | 120.2 Ų | 120.2 | 59% | 0.588 | 58% | 0.576 | S | S | * | * | trans | -70.4 | 130.5 | 170 | -169.5 | 0 | 0 | 0 | 0 | 107.8 | S53 R54 G58 | S53-V56 WeakPolarHBondContact O-CG2 3.38Å; R54-V56 VanDerWaalsContact C-N 3.32Å; R54-V56 PolarHBondContact O-N 3.17Å; V56-G58 PolarHBondContact O-N 2.86Å | ||
| 57 | P | 59.4 | Low | 64.3 | Low | 110 Ų | 110 | 117.5 Ų | 117.5 | 71% | 0.714 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -6.6 | -179.4 | -23.2 | 32.4 | 0 | 0 | 0 | 115.4 | ||
| 58 | G | 58.7 | Low | 64.4 | Low | 34 Ų | 34 | 121 Ų | 121 | 35% | 0.351 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -20.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | V56 N60 Q61 | V56-G58 PolarHBondContact O-N 2.86Å; G58-N60 PolarHBondContact O-N 3.3Å; G58-Q61 PolarHBondContact O-N 3.39Å |
| 59 | H | 54.1 | Low | 64.7 | Low | 152 Ų | 152 | 126 Ų | 126 | 70% | 0.704 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.5 | -27.1 | 177.9 | -163.9 | 62.6 | 0 | 0 | 0 | 112 | Q61 | H59-Q61 VanDerWaalsContact C-N 3.35Å |
| 60 | N | 57.1 | Low | 65.1 | Low | 89 Ų | 89 | 124.5 Ų | 124.5 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.6 | -20.7 | 177 | -69 | -14.1 | 0 | 0 | 0 | 112.8 | G58 K62 T63 F64 | G58-N60 PolarHBondContact O-N 3.3Å; N60-K62 PolarHBondContact O-N 2.8Å; N60-T63 PolarHBondContact O-N 3Å; N60-F64 HydrophobicContact CB-CD2 3.72Å; N60-F64 HydrophobicContact CB-CE2 3.6Å; N60-F64 WeakPolarHBondContact O-CB 3.47Å; N60-F64 WeakPolarHBondContact O-CD2 3.32Å; N60-F64 WeakPolarHBondContact O-CG 3.24Å; N60-F64 PolarHBondContact O-N 2.89Å |
| 61 | Q | 59.7 | Low | 65.4 | Low | 143 Ų | 143 | 119.2 Ų | 119.2 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.2 | -45.7 | -179.9 | -95.8 | 175.4 | -20.7 | 0 | 0 | 112.1 | G58 H59 T63 F64 E65 | G58-Q61 PolarHBondContact O-N 3.39Å; H59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 3.4Å; Q61-F64 PolarHBondContact O-N 2.98Å; Q61-E65 WeakPolarHBondContact O-CB 3.34Å; Q61-E65 PolarHBondContact O-N 3.41Å |
| 62 | K | 64.6 | Low | 65.9 | Low | 156 Ų | 156 | 122.3 Ų | 122.3 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64 | -40.5 | 177.4 | -68.9 | -171.5 | 178.9 | -175.4 | 0 | 111.7 | N60 E65 I66 | N60-K62 PolarHBondContact O-N 2.8Å; K62-E65 PolarHBondContact O-N 3.46Å; K62-I66 WeakPolarHBondContact O-CD1 3.29Å; K62-I66 VanDerWaalsContact O-CG1 3.24Å; K62-I66 WeakPolarHBondContact O-CG1 3.44Å; K62-I66 PolarHBondContact O-N 3.28Å |
| 63 | T | 66.3 | Low | 66.7 | Low | 69 Ų | 69 | 121.1 Ų | 121.1 | 42% | 0.423 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.8 | -44.2 | 177.8 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | N60 Q61 E65 I66 I67 | N60-T63 PolarHBondContact O-N 3Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 3.4Å; T63-E65 VanDerWaalsContact C-N 3.32Å; T63-E65 PolarHBondContact O-N 2.71Å; T63-I66 PolarHBondContact O-N 2.93Å; T63-I67 HydrophobicContact CG2-CD1 4.08Å; T63-I67 VanDerWaalsContact O-CG1 3.29Å; T63-I67 WeakPolarHBondContact O-CG1 3.35Å; T63-I67 PolarHBondContact O-N 3.46Å |
| 64 | F | 66.2 | Low | 67.3 | Low | 138 Ų | 138 | 121.6 Ų | 121.6 | 61% | 0.605 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63 | -38.5 | 174.9 | -80.1 | -61.3 | 0 | 0 | 0 | 111.9 | N60 Q61 I67 R68 | N60-F64 HydrophobicContact CB-CD2 3.72Å; N60-F64 HydrophobicContact CB-CE2 3.6Å; N60-F64 WeakPolarHBondContact O-CB 3.47Å; N60-F64 WeakPolarHBondContact O-CD2 3.32Å; N60-F64 WeakPolarHBondContact O-CG 3.24Å; N60-F64 PolarHBondContact O-N 2.89Å; Q61-F64 PolarHBondContact O-N 2.98Å; F64-I67 PolarHBondContact O-N 3.38Å; F64-R68 VanDerWaalsContact O-CB 3.26Å; F64-R68 WeakPolarHBondContact O-CB 3.49Å; F64-R68 PolarHBondContact O-N 3.49Å |
| 65 | E | 74.9 | Confident | 67.9 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 44% | 0.435 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67 | -40.7 | 177.2 | -161.7 | -178 | 170.6 | 0 | 0 | 111.9 | Q61 K62 T63 R68 R69 | Q61-E65 WeakPolarHBondContact O-CB 3.34Å; Q61-E65 PolarHBondContact O-N 3.41Å; K62-E65 PolarHBondContact O-N 3.46Å; T63-E65 VanDerWaalsContact C-N 3.32Å; T63-E65 PolarHBondContact O-N 2.71Å; E65-R68 PolarHBondContact O-N 3.34Å; E65-R69 WeakPolarHBondContact O-CG 3Å; E65-R69 PolarHBondContact O-N 3.37Å; E65-R69 IonicContact OE1-CZ 3.49Å; E65-R69 IonicContact OE1-NE 3.76Å; E65-R69 IonicContact OE1-NH2 2.71Å; E65-R69 PolarHBondContact OE1-NH2 3.48Å |
| 66 | I | 75.7 | Confident | 68.6 | Low | 94 Ų | 94 | 115 Ų | 115 | 48% | 0.482 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63 | -45.9 | 174.2 | -68.2 | 164 | 0 | 0 | 0 | 110.9 | K62 T63 R68 R69 K70 | K62-I66 WeakPolarHBondContact O-CD1 3.29Å; K62-I66 VanDerWaalsContact O-CG1 3.24Å; K62-I66 WeakPolarHBondContact O-CG1 3.44Å; K62-I66 PolarHBondContact O-N 3.28Å; T63-I66 PolarHBondContact O-N 2.93Å; I66-R68 VanDerWaalsContact C-N 3.33Å; I66-R68 PolarHBondContact O-N 3.47Å; I66-R69 PolarHBondContact O-N 2.86Å; I66-K70 HydrophobicContact CG2-CD 4.42Å; I66-K70 WeakPolarHBondContact O-CG 3.26Å; I66-K70 PolarHBondContact O-N 2.9Å |
| 67 | I | 74.8 | Confident | 69.3 | Low | 106 Ų | 106 | 114.1 Ų | 114.1 | 54% | 0.544 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -42.9 | 177.5 | -67.6 | 166.9 | 0 | 0 | 0 | 110.3 | T63 F64 K70 G71 | T63-I67 HydrophobicContact CG2-CD1 4.08Å; T63-I67 VanDerWaalsContact O-CG1 3.29Å; T63-I67 WeakPolarHBondContact O-CG1 3.35Å; T63-I67 PolarHBondContact O-N 3.46Å; F64-I67 PolarHBondContact O-N 3.38Å; I67-K70 PolarHBondContact O-N 3.43Å; I67-G71 PolarHBondContact O-N 3.02Å |
| 68 | R | 76.2 | Confident | 69.6 | Low | 198 Ų | 198 | 113.7 Ų | 113.7 | 75% | 0.747 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 177.1 | -174.7 | 178.8 | 172.9 | -177.6 | -1.9 | 111.9 | F64 E65 I66 G71 L72 | F64-R68 VanDerWaalsContact O-CB 3.26Å; F64-R68 WeakPolarHBondContact O-CB 3.49Å; F64-R68 PolarHBondContact O-N 3.49Å; E65-R68 PolarHBondContact O-N 3.34Å; I66-R68 VanDerWaalsContact C-N 3.33Å; I66-R68 PolarHBondContact O-N 3.47Å; R68-G71 PolarHBondContact O-N 3.45Å; R68-L72 PolarHBondContact O-N 3.33Å |
| 69 | R | 78.6 | Confident | 69.9 | Low | 172 Ų | 172 | 115.3 Ų | 115.3 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.8 | -43.4 | 177.5 | -72.5 | 178.5 | -169.7 | -170.3 | 1.6 | 112.1 | E65 I66 L72 K73 | E65-R69 WeakPolarHBondContact O-CG 3Å; E65-R69 PolarHBondContact O-N 3.37Å; E65-R69 IonicContact OE1-CZ 3.49Å; E65-R69 IonicContact OE1-NE 3.76Å; E65-R69 IonicContact OE1-NH2 2.71Å; E65-R69 PolarHBondContact OE1-NH2 3.48Å; I66-R69 PolarHBondContact O-N 2.86Å; R69-L72 PolarHBondContact O-N 3.18Å; R69-K73 PolarHBondContact O-N 3.37Å |
| 70 | K | 78.3 | Confident | 70.5 | Confident | 143 Ų | 143 | 116.8 Ų | 116.8 | 62% | 0.622 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65 | -42.3 | 176.4 | -73 | -174.8 | 176.9 | -173.6 | 0 | 112.3 | I66 I67 L72 K73 L74 | I66-K70 HydrophobicContact CG2-CD 4.42Å; I66-K70 WeakPolarHBondContact O-CG 3.26Å; I66-K70 PolarHBondContact O-N 2.9Å; I67-K70 PolarHBondContact O-N 3.43Å; K70-L72 VanDerWaalsContact C-N 3.35Å; K70-L72 PolarHBondContact O-N 3.03Å; K70-K73 PolarHBondContact O-N 3.43Å; K70-L74 PolarHBondContact O-N 3.03Å; K70-L74 VanDerWaalsContact O-N 3.13Å |
| 71 | G | 77.6 | Confident | 70.9 | Confident | 33 Ų | 33 | 117.3 Ų | 117.3 | 34% | 0.34 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.7 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I67 R68 L74 K75 | I67-G71 PolarHBondContact O-N 3.02Å; R68-G71 PolarHBondContact O-N 3.45Å; G71-L74 PolarHBondContact O-N 3.28Å; G71-K75 PolarHBondContact O-N 3.13Å; G71-K75 VanDerWaalsContact O-N 3.17Å |
| 72 | L | 73.9 | Confident | 71.3 | Confident | 115 Ų | 115 | 117.1 Ų | 117.1 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.8 | -42.2 | 175.9 | -147.1 | 88.6 | 0 | 0 | 0 | 111.7 | R68 R69 K70 K75 T76 | R68-L72 PolarHBondContact O-N 3.33Å; R69-L72 PolarHBondContact O-N 3.18Å; K70-L72 VanDerWaalsContact C-N 3.35Å; K70-L72 PolarHBondContact O-N 3.03Å; L72-K75 PolarHBondContact O-N 3.25Å; L72-T76 PolarHBondContact O-N 3.49Å; L72-T76 PolarHBondContact O-OG1 3.29Å |
| 73 | K | 75.8 | Confident | 71.5 | Confident | 125 Ų | 125 | 116.1 Ų | 116.1 | 54% | 0.543 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.9 | -42.3 | 177.5 | -173.4 | 173.9 | 176.5 | 178.2 | 0 | 112.2 | R69 K70 K75 T76 E77 | R69-K73 PolarHBondContact O-N 3.37Å; K70-K73 PolarHBondContact O-N 3.43Å; K73-K75 PolarHBondContact O-N 2.78Å; K73-T76 WeakPolarHBondContact CA-OG1 3.42Å; K73-T76 PolarHBondContact O-N 3.23Å; K73-T76 PolarHBondContact O-OG1 3.48Å; K73-E77 WeakPolarHBondContact CE-OE1 2.79Å; K73-E77 HydrophobicContact CG-CG 4.46Å; K73-E77 IonicContact NZ-OE1 3.58Å; K73-E77 WeakPolarHBondContact O-CG 3.47Å; K73-E77 PolarHBondContact O-N 3.25Å |
| 74 | L | 71 | Confident | 71.3 | Confident | 98 Ų | 98 | 119.8 Ų | 119.8 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.7 | -40.3 | 176.1 | -72.1 | 168.2 | 0 | 0 | 0 | 112.1 | K70 G71 T76 E77 L78 | K70-L74 PolarHBondContact O-N 3.03Å; K70-L74 VanDerWaalsContact O-N 3.13Å; G71-L74 PolarHBondContact O-N 3.28Å; L74-T76 PolarHBondContact O-N 2.95Å; L74-E77 PolarHBondContact O-N 3.32Å; L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 WeakPolarHBondContact O-CD1 3.4Å; L74-L78 WeakPolarHBondContact O-CG 3.38Å; L74-L78 PolarHBondContact O-N 3.17Å |
| 75 | K | 70.9 | Confident | 71 | Confident | 165 Ų | 165 | 122.4 Ų | 122.4 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.8 | -29.9 | 176.3 | -75.2 | -174.2 | 175.5 | -169 | 0 | 113.4 | G71 L72 K73 P79 | G71-K75 PolarHBondContact O-N 3.13Å; G71-K75 VanDerWaalsContact O-N 3.17Å; L72-K75 PolarHBondContact O-N 3.25Å; K73-K75 PolarHBondContact O-N 2.78Å; K75-P79 WeakPolarHBondContact O-CD 3.04Å; K75-P79 VanDerWaalsContact O-CG 3.26Å; K75-P79 WeakPolarHBondContact O-CG 3.41Å |
| 76 | T | 72 | Confident | 70.8 | Confident | 84 Ų | 84 | 123.9 Ų | 123.9 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -84.5 | -29.3 | 176.5 | 42.4 | 0 | 0 | 0 | 0 | 113.6 | L72 K73 L74 | L72-T76 PolarHBondContact O-N 3.49Å; L72-T76 PolarHBondContact O-OG1 3.29Å; K73-T76 WeakPolarHBondContact CA-OG1 3.42Å; K73-T76 PolarHBondContact O-N 3.23Å; K73-T76 PolarHBondContact O-OG1 3.48Å; L74-T76 PolarHBondContact O-N 2.95Å |
| 77 | E | 70.6 | Confident | 70.5 | Confident | 80 Ų | 80 | 125.4 Ų | 125.4 | 37% | 0.374 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -86.8 | -35.3 | -177.7 | -71.4 | 177.8 | 171.5 | 0 | 0 | 112.8 | K73 L74 R80 I81 | K73-E77 WeakPolarHBondContact CE-OE1 2.79Å; K73-E77 HydrophobicContact CG-CG 4.46Å; K73-E77 IonicContact NZ-OE1 3.58Å; K73-E77 WeakPolarHBondContact O-CG 3.47Å; K73-E77 PolarHBondContact O-N 3.25Å; L74-E77 PolarHBondContact O-N 3.32Å; E77-R80 PolarHBondContact O-N 3.36Å; E77-R80 VanDerWaalsContact O-N 3.13Å; E77-I81 WeakPolarHBondContact O-CG1 3.26Å; E77-I81 PolarHBondContact O-N 3.22Å |
| 78 | L | 63.8 | Low | 70.3 | Confident | 101 Ų | 101 | 126.5 Ų | 126.5 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -58.2 | -44.7 | 179.6 | -72.8 | 167 | 0 | 0 | 0 | 113.9 | L74 R80 I81 M82 | L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 WeakPolarHBondContact O-CD1 3.4Å; L74-L78 WeakPolarHBondContact O-CG 3.38Å; L74-L78 PolarHBondContact O-N 3.17Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.13Å; L78-I81 PolarHBondContact O-N 3.35Å; L78-M82 WeakPolarHBondContact O-CG 3.2Å; L78-M82 PolarHBondContact O-N 3.41Å |
| 79 | P | 65.3 | Low | 69.9 | Low | 68 Ų | 68 | 122.3 Ų | 122.3 | 44% | 0.442 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.5 | -26.7 | 177.5 | -18.3 | 31.7 | 0 | 0 | 0 | 113 | K75 N83 | K75-P79 WeakPolarHBondContact O-CD 3.04Å; K75-P79 VanDerWaalsContact O-CG 3.26Å; K75-P79 WeakPolarHBondContact O-CG 3.41Å; P79-N83 PolarHBondContact O-N 3.04Å; P79-N83 PolarHBondContact O-ND2 3.39Å |
| 80 | R | 68.3 | Low | 69.4 | Low | 183 Ų | 183 | 119.2 Ų | 119.2 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.6 | -47 | 176 | -70.3 | -178.5 | 177.5 | -174.8 | -2.1 | 110.8 | E77 L78 M82 N83 D84 | E77-R80 PolarHBondContact O-N 3.36Å; E77-R80 VanDerWaalsContact O-N 3.13Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.13Å; R80-M82 VanDerWaalsContact C-N 3.3Å; R80-M82 PolarHBondContact O-N 3.01Å; R80-N83 PolarHBondContact O-N 3.4Å; R80-N83 VanDerWaalsContact O-N 3.1Å; R80-D84 PolarHBondContact O-N 3.29Å |
| 81 | I | 65.5 | Low | 68.8 | Low | 99 Ų | 99 | 117.6 Ų | 117.6 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.2 | -37.6 | 178 | -62.1 | 163.2 | 0 | 0 | 0 | 111.1 | E77 L78 N83 D84 I85 | E77-I81 WeakPolarHBondContact O-CG1 3.26Å; E77-I81 PolarHBondContact O-N 3.22Å; L78-I81 PolarHBondContact O-N 3.35Å; I81-N83 VanDerWaalsContact C-N 3.26Å; I81-N83 PolarHBondContact O-N 3.1Å; I81-D84 PolarHBondContact O-N 3.34Å; I81-I85 HydrophobicContact CG2-CD1 4.4Å; I81-I85 WeakPolarHBondContact O-CG1 3.48Å |
| 82 | M | 66.9 | Low | 68.2 | Low | 140 Ų | 140 | 123.6 Ų | 123.6 | 69% | 0.69 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.9 | -21.8 | 176.1 | -75.3 | -160.3 | 70.9 | 0 | 0 | 114.2 | L78 R80 | L78-M82 WeakPolarHBondContact O-CG 3.2Å; L78-M82 PolarHBondContact O-N 3.41Å; R80-M82 VanDerWaalsContact C-N 3.3Å; R80-M82 PolarHBondContact O-N 3.01Å |
| 83 | N | 68.5 | Low | 67.7 | Low | 135 Ų | 135 | 124.3 Ų | 124.3 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -90.7 | -12.6 | 177.2 | -73.2 | -13.5 | 0 | 0 | 0 | 113 | P79 R80 I81 | P79-N83 PolarHBondContact O-N 3.04Å; P79-N83 PolarHBondContact O-ND2 3.39Å; R80-N83 PolarHBondContact O-N 3.4Å; R80-N83 VanDerWaalsContact O-N 3.1Å; I81-N83 VanDerWaalsContact C-N 3.26Å; I81-N83 PolarHBondContact O-N 3.1Å |
| 84 | D | 63.6 | Low | 67 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 78% | 0.775 | 62% | 0.622 | S | S | * | * | trans | -96.4 | 0.1 | 178 | -74.1 | -23 | 0 | 0 | 0 | 113 | R80 I81 | R80-D84 PolarHBondContact O-N 3.29Å; I81-D84 PolarHBondContact O-N 3.34Å | ||
| 85 | I | 58.2 | Low | 66.7 | Low | 193 Ų | 193 | 126.6 Ų | 126.6 | 99% | 0.99 | 63% | 0.632 | S | S | * | * | trans | -101.2 | 0 | 174.9 | -64.8 | 169.4 | 0 | 0 | 0 | 109.5 | I81 | I81-I85 HydrophobicContact CG2-CD1 4.4Å; I81-I85 WeakPolarHBondContact O-CG1 3.48Å |
Retrieved 85 of 85 residues in 21.7 ms
(Link to these results)