| 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 | 52.7 | Low | 68.2 | Low | 231 Ų | 231 | 117.6 Ų | 117.6 | 100% | 1.138 | 65% | 0.65 | S | S | * | * | 0 | 103.8 | 0 | -65.4 | -169.5 | -171.5 | 0 | 0 | 107.1 | L3 | M1-L3 PolarHBondContact O-N 2.93Š| |||
| 2 | L | 55.2 | Low | 68.6 | Low | 183 Ų | 183 | 114.8 Ų | 114.8 | 96% | 0.958 | 63% | 0.631 | S | S | * | * | trans | -74.6 | 103.7 | 179 | -77.3 | 155.3 | 0 | 0 | 0 | 107.6 | N4 | L2-N4 PolarHBondContact O-N 3.15Š| ||
| 3 | L | 62.2 | Low | 69.3 | Low | 150 Ų | 150 | 119.3 Ų | 119.3 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | trans | -67.5 | 120.5 | 177 | -81 | 100.4 | 0 | 0 | 0 | 109.4 | M1 | M1-L3 PolarHBondContact O-N 2.93Š| ||
| 4 | N | 69.2 | Low | 69.7 | Low | 108 Ų | 108 | 120 Ų | 120 | 58% | 0.578 | 63% | 0.631 | S | S | * | * | trans | -69.1 | 123.1 | 178.7 | -168.6 | -0.2 | 0 | 0 | 0 | 109.3 | L2 A6 S7 | L2-N4 PolarHBondContact O-N 3.15Å; N4-A6 PolarHBondContact O-N 2.59Å; N4-S7 PolarHBondContact O-N 3.14Å; N4-S7 PolarHBondContact O-OG 3.09Å | ||
| 5 | P | 70.3 | Confident | 69.9 | Low | 103 Ų | 103 | 123 Ų | 123 | 67% | 0.669 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -58.4 | -21.7 | -176.6 | 22.3 | -34.5 | 0 | 0 | 0 | 113.7 | S7 M8 | P5-S7 VanDerWaalsContact C-N 3.29Å; P5-S7 PolarHBondContact O-N 3.16Å; P5-M8 PolarHBondContact O-N 2.79Å |
| 6 | A | 70 | Confident | 70.3 | Confident | 54 Ų | 54 | 124.2 Ų | 124.2 | 45% | 0.446 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -60.2 | -35 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N4 M8 L9 D10 | N4-A6 PolarHBondContact O-N 2.59Å; A6-M8 VanDerWaalsContact C-N 3.35Å; A6-M8 PolarHBondContact O-N 3.43Å; A6-L9 PolarHBondContact O-N 3.37Å; A6-D10 PolarHBondContact O-N 2.76Å |
| 7 | S | 70.1 | Confident | 70.3 | Confident | 55 Ų | 55 | 126.2 Ų | 126.2 | 39% | 0.385 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.4 | -27.2 | -178.9 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | N4 P5 T11 | N4-S7 PolarHBondContact O-N 3.14Å; N4-S7 PolarHBondContact O-OG 3.09Å; P5-S7 VanDerWaalsContact C-N 3.29Å; P5-S7 PolarHBondContact O-N 3.16Å; S7-T11 PolarHBondContact O-N 2.96Å; S7-T11 VanDerWaalsContact O-N 3.15Å; S7-T11 PolarHBondContact O-OG1 2.83Å |
| 8 | M | 74.3 | Confident | 69.9 | Low | 134 Ų | 134 | 127.7 Ų | 127.7 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.3 | -38.4 | 178.9 | -173 | -179.6 | -90.3 | 0 | 0 | 111 | P5 A6 T11 I12 | P5-M8 PolarHBondContact O-N 2.79Å; A6-M8 VanDerWaalsContact C-N 3.35Å; A6-M8 PolarHBondContact O-N 3.43Å; M8-T11 PolarHBondContact O-N 2.85Å; M8-I12 HydrophobicContact CG-CD1 4.21Å; M8-I12 WeakPolarHBondContact O-CG1 3.36Å; M8-I12 PolarHBondContact O-N 3.42Å; M8-I12 VanDerWaalsContact O-N 3.11Å |
| 9 | L | 75.5 | Confident | 69.5 | Low | 109 Ų | 109 | 130.7 Ų | 130.7 | 57% | 0.571 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.5 | -35.5 | 177.4 | -69.2 | 176.7 | 0 | 0 | 0 | 112.4 | A6 I12 R13 | A6-L9 PolarHBondContact O-N 3.37Å; L9-I12 PolarHBondContact O-N 3.3Å; L9-R13 WeakPolarHBondContact O-CB 3.1Å; L9-R13 WeakPolarHBondContact O-CG 3.5Å; L9-R13 PolarHBondContact O-N 3.47Å |
| 10 | D | 74.2 | Confident | 69.2 | Low | 87 Ų | 87 | 129.9 Ų | 129.9 | 47% | 0.465 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -69.5 | -34 | 175.5 | -76.3 | -25 | 0 | 0 | 0 | 112.3 | A6 R13 Q14 | A6-D10 PolarHBondContact O-N 2.76Å; D10-R13 PolarHBondContact O-N 3.39Å; D10-R13 IonicContact OD1-NH1 3.94Å; D10-Q14 WeakPolarHBondContact O-CG 3.47Å; D10-Q14 PolarHBondContact O-N 3.01Å |
| 11 | T | 76.1 | Confident | 68.5 | Low | 80 Ų | 80 | 129.6 Ų | 129.6 | 49% | 0.491 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -66.3 | -41.6 | 174.1 | -49.8 | 0 | 0 | 0 | 0 | 111.3 | S7 M8 R13 Q14 H15 | S7-T11 PolarHBondContact O-N 2.96Å; S7-T11 VanDerWaalsContact O-N 3.15Å; S7-T11 PolarHBondContact O-OG1 2.83Å; M8-T11 PolarHBondContact O-N 2.85Å; T11-R13 VanDerWaalsContact C-N 3.34Å; T11-Q14 PolarHBondContact O-N 3.42Å; T11-H15 PolarHBondContact O-N 3.25Å |
| 12 | I | 73.1 | Confident | 68.2 | Low | 84 Ų | 84 | 123.9 Ų | 123.9 | 43% | 0.431 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -66.1 | -38.4 | 176.1 | -67.4 | 165.7 | 0 | 0 | 0 | 110.6 | M8 L9 H15 L16 | M8-I12 HydrophobicContact CG-CD1 4.21Å; M8-I12 WeakPolarHBondContact O-CG1 3.36Å; M8-I12 PolarHBondContact O-N 3.42Å; M8-I12 VanDerWaalsContact O-N 3.11Å; L9-I12 PolarHBondContact O-N 3.3Å; I12-H15 PolarHBondContact O-N 3.35Å; I12-L16 HydrophobicContact CG2-CD1 3.63Å; I12-L16 WeakPolarHBondContact O-CB 3.37Å; I12-L16 PolarHBondContact O-N 2.89Å; I12-L16 VanDerWaalsContact O-N 3.08Å |
| 13 | R | 77.5 | Confident | 68.1 | Low | 173 Ų | 173 | 119.4 Ų | 119.4 | 65% | 0.653 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63 | -44.6 | 174.7 | -81.4 | 178 | 164 | 150.3 | -2.6 | 112.7 | L9 D10 T11 H15 L16 L17 | L9-R13 WeakPolarHBondContact O-CB 3.1Å; L9-R13 WeakPolarHBondContact O-CG 3.5Å; L9-R13 PolarHBondContact O-N 3.47Å; D10-R13 PolarHBondContact O-N 3.39Å; D10-R13 IonicContact OD1-NH1 3.94Å; T11-R13 VanDerWaalsContact C-N 3.34Å; R13-H15 VanDerWaalsContact C-N 3.33Å; R13-H15 PolarHBondContact O-N 3.33Å; R13-L16 PolarHBondContact O-N 3.05Å; R13-L17 WeakPolarHBondContact O-CB 3.09Å; R13-L17 PolarHBondContact O-N 2.69Å; R13-L17 VanDerWaalsContact O-N 3.09Å |
| 14 | Q | 76.1 | Confident | 67.4 | Low | 129 Ų | 129 | 116.7 Ų | 116.7 | 60% | 0.603 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.4 | -42.3 | 176.6 | -73.3 | -178 | -4.4 | 0 | 0 | 111.2 | D10 T11 L16 L17 E18 | D10-Q14 WeakPolarHBondContact O-CG 3.47Å; D10-Q14 PolarHBondContact O-N 3.01Å; T11-Q14 PolarHBondContact O-N 3.42Å; Q14-L16 VanDerWaalsContact C-N 3.3Å; Q14-L16 PolarHBondContact O-N 2.91Å; Q14-L17 PolarHBondContact O-N 3.42Å; Q14-E18 WeakPolarHBondContact O-CB 3.41Å; Q14-E18 PolarHBondContact O-N 2.94Å |
| 15 | H | 72.5 | Confident | 66.4 | Low | 165 Ų | 165 | 117.9 Ų | 117.9 | 76% | 0.764 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68 | -23.6 | 178.4 | -111.4 | -80.7 | 0 | 0 | 0 | 115.1 | T11 I12 R13 | T11-H15 PolarHBondContact O-N 3.25Å; I12-H15 PolarHBondContact O-N 3.35Å; R13-H15 VanDerWaalsContact C-N 3.33Å; R13-H15 PolarHBondContact O-N 3.33Å |
| 16 | L | 75.4 | Confident | 65.5 | Low | 142 Ų | 142 | 121.5 Ų | 121.5 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -94.9 | -16.1 | 179.5 | -88.1 | 152 | 0 | 0 | 0 | 113.7 | I12 R13 Q14 | I12-L16 HydrophobicContact CG2-CD1 3.63Å; I12-L16 WeakPolarHBondContact O-CB 3.37Å; I12-L16 PolarHBondContact O-N 2.89Å; I12-L16 VanDerWaalsContact O-N 3.08Å; R13-L16 PolarHBondContact O-N 3.05Å; Q14-L16 VanDerWaalsContact C-N 3.3Å; Q14-L16 PolarHBondContact O-N 2.91Å |
| 17 | L | 70.9 | Confident | 64.7 | Low | 159 Ų | 159 | 122.9 Ų | 122.9 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -114.1 | -2.6 | -174.1 | -141.3 | 79.1 | 0 | 0 | 0 | 114.1 | R13 Q14 | R13-L17 WeakPolarHBondContact O-CB 3.09Å; R13-L17 PolarHBondContact O-N 2.69Å; R13-L17 VanDerWaalsContact O-N 3.09Å; Q14-L17 PolarHBondContact O-N 3.42Å |
| 18 | E | 63.5 | Low | 63.8 | Low | 153 Ų | 153 | 128 Ų | 128 | 72% | 0.715 | 70% | 0.695 | S | S | * | * | trans | -100.4 | 95 | 178.2 | -154.4 | 152.8 | -158.8 | 0 | 0 | 109.8 | Q14 | Q14-E18 WeakPolarHBondContact O-CB 3.41Å; Q14-E18 PolarHBondContact O-N 2.94Å | ||
| 19 | E | 61.3 | Low | 62.6 | Low | 184 Ų | 184 | 124.1 Ų | 124.1 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 128.1 | 173.5 | -70.9 | -147.6 | 146.8 | 0 | 0 | 111.1 | ||
| 20 | P | 63.2 | Low | 61.5 | Low | 115 Ų | 115 | 124.2 Ų | 124.2 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 143.4 | 170.8 | 30.1 | -31.7 | 0 | 0 | 0 | 111 | ||
| 21 | P | 54.4 | Low | 60.4 | Low | 124 Ų | 124 | 126.1 Ų | 126.1 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 141.1 | -172.6 | 27.6 | -34.9 | 0 | 0 | 0 | 113 | A23 | P21-A23 PolarHBondContact O-N 2.76Š|
| 22 | A | 47.3 | Very low | 59.5 | Low | 110 Ų | 110 | 126.8 Ų | 126.8 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | trans | -43.2 | 103.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 23 | A | 53 | Low | 58.6 | Low | 90 Ų | 90 | 125.3 Ų | 125.3 | 74% | 0.744 | 70% | 0.703 | S | S | * | * | trans | -162.7 | 115.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P21 | P21-A23 PolarHBondContact O-N 2.76Š| ||
| 24 | A | 48 | Very low | 57.5 | Low | 92 Ų | 92 | 122.5 Ų | 122.5 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | trans | 65 | 89.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 25 | D | 46.9 | Very low | 56.5 | Low | 134 Ų | 134 | 123.9 Ų | 123.9 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | trans | -161.6 | 47.5 | 148.2 | -90 | -30.7 | 0 | 0 | 0 | 111.7 | S27 | D25-S27 PolarHBondContact O-N 2.92Š| ||
| 26 | E | 51.5 | Low | 55.8 | Low | 178 Ų | 178 | 125.5 Ų | 125.5 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 3.8 | 170 | -65.2 | -162.8 | 151.1 | 0 | 0 | 113.1 | ||
| 27 | S | 53.4 | Low | 54.8 | Low | 84 Ų | 84 | 122.3 Ų | 122.3 | 59% | 0.587 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -88.7 | -17.8 | -175.2 | -179.2 | 0 | 0 | 0 | 0 | 114.6 | D25 | D25-S27 PolarHBondContact O-N 2.92Å |
| 28 | F | 51.9 | Low | 54.1 | Low | 162 Ų | 162 | 121.9 Ų | 121.9 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -92.3 | -21.8 | -176.3 | -87.4 | -86.4 | 0 | 0 | 0 | 113.9 | ||
| 29 | G | 49.1 | Very low | 54 | Low | 53 Ų | 53 | 119.4 Ų | 119.4 | 55% | 0.546 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -81.1 | -31.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A33 | G29-A33 PolarHBondContact O-N 3.14Å |
| 30 | I | 53.1 | Low | 54 | Low | 110 Ų | 110 | 116.2 Ų | 116.2 | 56% | 0.564 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.1 | -33.5 | -177.7 | -63 | 174.8 | 0 | 0 | 0 | 111.1 | A33 D34 | I30-A33 PolarHBondContact O-N 3.43Å; I30-D34 PolarHBondContact O-N 2.86Å; I30-D34 VanDerWaalsContact O-N 3.11Å |
| 31 | L | 51.1 | Low | 53.9 | Low | 127 Ų | 127 | 116 Ų | 116 | 67% | 0.665 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -77.5 | -23.7 | -176.8 | -143.9 | 139.2 | 0 | 0 | 0 | 113.2 | ||
| 32 | V | 56 | Low | 54.2 | Low | 95 Ų | 95 | 116 Ų | 116 | 58% | 0.576 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -82.1 | -35.9 | 171.6 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | Q35 | V32-Q35 PolarHBondContact O-N 3.42Å |
| 33 | A | 55.3 | Low | 55 | Low | 53 Ų | 53 | 119.3 Ų | 119.3 | 44% | 0.438 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.9 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G29 I30 Q35 W36 S37 | G29-A33 PolarHBondContact O-N 3.14Å; I30-A33 PolarHBondContact O-N 3.43Å; A33-Q35 PolarHBondContact O-N 2.96Å; A33-W36 PolarHBondContact O-N 2.69Å; A33-S37 PolarHBondContact O-N 2.9Å; A33-S37 PolarHBondContact O-OG 3.1Å |
| 34 | D | 52.7 | Low | 55.7 | Low | 114 Ų | 114 | 121.4 Ų | 121.4 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -21.1 | 179.7 | -90.7 | -5.8 | 0 | 0 | 0 | 113.7 | I30 | I30-D34 PolarHBondContact O-N 2.86Å; I30-D34 VanDerWaalsContact O-N 3.11Å |
| 35 | Q | 56 | Low | 56.5 | Low | 157 Ų | 157 | 124.7 Ų | 124.7 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -16.7 | 179.2 | -154.6 | 110.7 | 103 | 0 | 0 | 113.3 | V32 A33 | V32-Q35 PolarHBondContact O-N 3.42Å; A33-Q35 PolarHBondContact O-N 2.96Å |
| 36 | W | 57.1 | Low | 57.8 | Low | 200 Ų | 200 | 121 Ų | 121 | 76% | 0.758 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -0.2 | -175.7 | -64.8 | 71.2 | 0 | 0 | 0 | 113.2 | A33 | A33-W36 PolarHBondContact O-N 2.69Š|
| 37 | S | 54.8 | Low | 58.9 | Low | 74 Ų | 74 | 115.9 Ų | 115.9 | 52% | 0.517 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -91.4 | -21.5 | -173.6 | -59.9 | 0 | 0 | 0 | 0 | 114.4 | A33 | A33-S37 PolarHBondContact O-N 2.9Å; A33-S37 PolarHBondContact O-OG 3.1Å |
| 38 | D | 56.6 | Low | 60 | Low | 151 Ų | 151 | 117.5 Ų | 117.5 | 81% | 0.807 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 1.7 | -169.5 | -86.7 | -5 | 0 | 0 | 0 | 115 | ||
| 39 | S | 60.5 | Low | 61.4 | Low | 101 Ų | 101 | 111.3 Ų | 111.3 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 31.3 | -176 | 66.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 40 | L | 62.8 | Low | 63 | Low | 116 Ų | 116 | 114.4 Ų | 114.4 | 61% | 0.607 | 61% | 0.613 | S | S | * | * | trans | -106.2 | 127.8 | 161.8 | -73 | 163.7 | 0 | 0 | 0 | 107.7 | F42 | L40-F42 HydrophobicContact CD2-CD2 4.28Å; L40-F42 HydrophobicContact CD2-CE2 4.34Å | ||
| 41 | P | 61.5 | Low | 64.5 | Low | 110 Ų | 110 | 114 Ų | 114 | 71% | 0.714 | 62% | 0.615 | S | S | * | * | S | Bend | -117.6 | 143.2 | 60.2 | 35.5 | -27.9 | 0 | 0 | 0 | 112.4 | R43 | P41-R43 PolarHBondContact O-N 3.29Š| |
| 42 | F | 60.7 | Low | 66.1 | Low | 124 Ų | 124 | 111.3 Ų | 111.3 | 54% | 0.544 | 60% | 0.604 | S | S | . | * | trans | -27.4 | 104.8 | 166.1 | -77.2 | -84.4 | 0 | 0 | 0 | 111.1 | L40 D49 V52 | L40-F42 HydrophobicContact CD2-CD2 4.28Å; L40-F42 HydrophobicContact CD2-CE2 4.34Å; F42-D49 WeakPolarHBondContact CA-OD2 3.26Å; F42-D49 HydrophobicContact CD1-CB 4.11Å; F42-D49 WeakPolarHBondContact CD1-OD1 3.1Å; F42-V52 HydrophobicContact CE1-CB 4.23Å; F42-V52 HydrophobicContact CE1-CG1 3.76Å; F42-V52 HydrophobicContact CZ-CG1 4.06Å | ||
| 43 | R | 63.6 | Low | 67.3 | Low | 181 Ų | 181 | 112.5 Ų | 112.5 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | trans | -78.7 | 128.3 | 177.5 | -58.2 | 178.4 | 82.9 | -170.1 | 5.5 | 106.1 | P41 D45 D46 D49 | P41-R43 PolarHBondContact O-N 3.29Å; R43-D45 PolarHBondContact O-N 2.67Å; R43-D46 HydrophobicContact CB-CB 4.18Å; R43-D46 PolarHBondContact O-N 3.42Å; R43-D49 PolarHBondContact N-OD2 2.93Å; R43-D49 VanDerWaalsContact O-OD2 3.09Å | ||
| 44 | T | 66.5 | Low | 68.8 | Low | 134 Ų | 134 | 111.3 Ų | 111.3 | 82% | 0.822 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -13.9 | -177 | -45.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 45 | D | 65.5 | Low | 70.3 | Confident | 160 Ų | 160 | 108.9 Ų | 108.9 | 86% | 0.856 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | 20.6 | -175 | -59.4 | -53.7 | 0 | 0 | 0 | 113.9 | R43 | R43-D45 PolarHBondContact O-N 2.67Š|
| 46 | D | 73.8 | Confident | 71.8 | Confident | 56 Ų | 56 | 107 Ų | 107 | 30% | 0.299 | 59% | 0.585 | S | S | . | * | trans | -89.6 | 136.7 | 173.2 | -147.9 | -31.5 | 0 | 0 | 0 | 112 | R43 D48 D49 M50 | R43-D46 HydrophobicContact CB-CB 4.18Å; R43-D46 PolarHBondContact O-N 3.42Å; D46-D48 VanDerWaalsContact C-N 3.27Å; D46-D48 PolarHBondContact O-N 3.01Å; D46-D48 PolarHBondContact OD1-N 2.75Å; D46-D49 HydrophobicContact CB-CB 4.1Å; D46-D49 PolarHBondContact O-N 2.92Å; D46-M50 PolarHBondContact O-N 2.92Å | ||
| 47 | A | 75.7 | Confident | 73.2 | Confident | 71 Ų | 71 | 103 Ų | 103 | 59% | 0.587 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.9 | -31.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V51 | A47-V51 PolarHBondContact O-N 2.93Å |
| 48 | D | 75.1 | Confident | 74.7 | Confident | 119 Ų | 119 | 104.1 Ų | 104.1 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.1 | -39.3 | 177.5 | -68 | -30.3 | 0 | 0 | 0 | 111.1 | D46 M50 V51 V52 | D46-D48 VanDerWaalsContact C-N 3.27Å; D46-D48 PolarHBondContact O-N 3.01Å; D46-D48 PolarHBondContact OD1-N 2.75Å; D48-M50 VanDerWaalsContact C-N 3.3Å; D48-M50 PolarHBondContact O-N 3.47Å; D48-V51 WeakPolarHBondContact O-CB 3.3Å; D48-V51 PolarHBondContact O-N 3.02Å; D48-V51 VanDerWaalsContact O-N 3.09Å; D48-V52 WeakPolarHBondContact O-CG2 3.24Å; D48-V52 PolarHBondContact O-N 2.8Å |
| 49 | D | 81.4 | Confident | 76 | Confident | 31 Ų | 31 | 98.4 Ų | 98.4 | 17% | 0.166 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 175.7 | -74.5 | -30 | 0 | 0 | 0 | 112.3 | F42 R43 D46 V51 V52 F53 | F42-D49 WeakPolarHBondContact CA-OD2 3.26Å; F42-D49 HydrophobicContact CD1-CB 4.11Å; F42-D49 WeakPolarHBondContact CD1-OD1 3.1Å; R43-D49 PolarHBondContact N-OD2 2.93Å; R43-D49 VanDerWaalsContact O-OD2 3.09Å; D46-D49 HydrophobicContact CB-CB 4.1Å; D46-D49 PolarHBondContact O-N 2.92Å; D49-V51 VanDerWaalsContact C-N 3.31Å; D49-V51 PolarHBondContact O-N 3.41Å; D49-V52 PolarHBondContact O-N 3.25Å; D49-F53 WeakPolarHBondContact O-CB 3.26Å; D49-F53 PolarHBondContact O-N 3.17Å |
| 50 | M | 84.1 | Confident | 77.2 | Confident | 118 Ų | 118 | 99.9 Ų | 99.9 | 58% | 0.581 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.2 | -34.5 | 172.7 | -80.8 | -60.9 | -45.7 | 0 | 0 | 112.7 | D46 D48 F53 G54 | D46-M50 PolarHBondContact O-N 2.92Å; D48-M50 VanDerWaalsContact C-N 3.3Å; D48-M50 PolarHBondContact O-N 3.47Å; M50-F53 HydrophobicContact CE-CD1 4.44Å; M50-G54 PolarHBondContact O-N 3.22Å |
| 51 | V | 84 | Confident | 78.2 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.7 | -43.1 | 174.8 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | A47 D48 D49 G54 A55 | A47-V51 PolarHBondContact O-N 2.93Å; D48-V51 WeakPolarHBondContact O-CB 3.3Å; D48-V51 PolarHBondContact O-N 3.02Å; D48-V51 VanDerWaalsContact O-N 3.09Å; D49-V51 VanDerWaalsContact C-N 3.31Å; D49-V51 PolarHBondContact O-N 3.41Å; V51-G54 PolarHBondContact O-N 3.07Å; V51-A55 WeakPolarHBondContact O-CB 3.4Å; V51-A55 PolarHBondContact O-N 3.47Å |
| 52 | V | 84.2 | Confident | 79.1 | Confident | 71 Ų | 71 | 99 Ų | 99 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.8 | 178 | 0 | 0 | 0 | 0 | 110.9 | F42 D48 D49 A55 L56 | F42-V52 HydrophobicContact CE1-CB 4.23Å; F42-V52 HydrophobicContact CE1-CG1 3.76Å; F42-V52 HydrophobicContact CZ-CG1 4.06Å; D48-V52 WeakPolarHBondContact O-CG2 3.24Å; D48-V52 PolarHBondContact O-N 2.8Å; D49-V52 PolarHBondContact O-N 3.25Å; V52-A55 PolarHBondContact O-N 3.4Å; V52-L56 WeakPolarHBondContact O-CB 3.04Å; V52-L56 PolarHBondContact O-N 3.04Å |
| 53 | F | 82.1 | Confident | 80.1 | Confident | 119 Ų | 119 | 93.2 Ų | 93.2 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.5 | 177.1 | -96 | 0 | 0 | 0 | 111.6 | D49 M50 L56 Q57 | D49-F53 WeakPolarHBondContact O-CB 3.26Å; D49-F53 PolarHBondContact O-N 3.17Å; M50-F53 HydrophobicContact CE-CD1 4.44Å; F53-L56 PolarHBondContact O-N 3.41Å; F53-Q57 WeakPolarHBondContact O-CB 3.46Å; F53-Q57 PolarHBondContact O-N 3.29Å |
| 54 | G | 85.3 | Confident | 80.8 | Confident | 29 Ų | 29 | 92.1 Ų | 92.1 | 30% | 0.299 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M50 V51 L56 Q57 D58 | M50-G54 PolarHBondContact O-N 3.22Å; V51-G54 PolarHBondContact O-N 3.07Å; G54-L56 VanDerWaalsContact C-N 3.35Å; G54-L56 PolarHBondContact O-N 2.85Å; G54-Q57 PolarHBondContact O-N 3.46Å; G54-D58 PolarHBondContact O-N 3.11Å |
| 55 | A | 85.7 | Confident | 81.4 | Confident | 62 Ų | 62 | 88.3 Ų | 88.3 | 51% | 0.512 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V51 V52 A59 | V51-A55 WeakPolarHBondContact O-CB 3.4Å; V51-A55 PolarHBondContact O-N 3.47Å; V52-A55 PolarHBondContact O-N 3.4Å; A55-A59 WeakPolarHBondContact O-CB 3.37Å; A55-A59 PolarHBondContact O-N 2.95Å |
| 56 | L | 86.6 | Confident | 82 | Confident | 117 Ų | 117 | 87.2 Ų | 87.2 | 61% | 0.613 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.6 | -37.9 | 177.2 | -169.8 | 65.6 | 0 | 0 | 0 | 111.8 | V52 F53 G54 A59 F60 | V52-L56 WeakPolarHBondContact O-CB 3.04Å; V52-L56 PolarHBondContact O-N 3.04Å; F53-L56 PolarHBondContact O-N 3.41Å; G54-L56 VanDerWaalsContact C-N 3.35Å; G54-L56 PolarHBondContact O-N 2.85Å; L56-A59 PolarHBondContact O-N 2.94Å; L56-F60 WeakPolarHBondContact O-CB 3.5Å; L56-F60 PolarHBondContact O-N 3.2Å |
| 57 | Q | 86.2 | Confident | 82.2 | Confident | 118 Ų | 118 | 90.2 Ų | 90.2 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | 175.8 | -168.6 | -176.1 | 18.6 | 0 | 0 | 111.6 | F53 G54 F60 A61 | F53-Q57 WeakPolarHBondContact O-CB 3.46Å; F53-Q57 PolarHBondContact O-N 3.29Å; G54-Q57 PolarHBondContact O-N 3.46Å; Q57-F60 PolarHBondContact O-N 3.25Å; Q57-A61 WeakPolarHBondContact O-CB 3.31Å; Q57-A61 PolarHBondContact O-N 3.43Å |
| 58 | D | 86 | Confident | 82 | Confident | 97 Ų | 97 | 89.8 Ų | 89.8 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 174.3 | -107.6 | 20.2 | 0 | 0 | 0 | 110.6 | G54 F60 A61 Y62 | G54-D58 PolarHBondContact O-N 3.11Å; D58-F60 VanDerWaalsContact C-N 3.31Å; D58-F60 PolarHBondContact O-N 3.25Å; D58-A61 WeakPolarHBondContact O-CB 3.32Å; D58-A61 PolarHBondContact O-N 2.99Å; D58-A61 VanDerWaalsContact O-N 3.07Å; D58-Y62 HydrophobicContact CB-CE2 4.45Å; D58-Y62 WeakPolarHBondContact O-CD2 3.36Å; D58-Y62 PolarHBondContact O-N 2.96Å |
| 59 | A | 85.8 | Confident | 81.9 | Confident | 30 Ų | 30 | 86.5 Ų | 86.5 | 25% | 0.248 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -55.2 | -48.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A55 L56 A61 Y62 G63 W64 | A55-A59 WeakPolarHBondContact O-CB 3.37Å; A55-A59 PolarHBondContact O-N 2.95Å; L56-A59 PolarHBondContact O-N 2.94Å; A59-A61 VanDerWaalsContact C-N 3.33Å; A59-A61 PolarHBondContact O-N 3.15Å; A59-Y62 CarbonylContact O-C 3.51Å; A59-Y62 WeakPolarHBondContact O-CA 3.25Å; A59-Y62 PolarHBondContact O-N 2.92Å; A59-Y62 VanDerWaalsContact O-N 3.1Å; A59-G63 PolarHBondContact O-N 3.42Å; A59-G63 VanDerWaalsContact O-N 3.08Å; A59-W64 HydrophobicContact CB-CB 3.85Å; A59-W64 HydrophobicContact CB-CG 4.32Å; A59-W64 VanDerWaalsContact O-CB 3.32Å; A59-W64 WeakPolarHBondContact O-CB 3.28Å; A59-W64 PolarHBondContact O-N 3.41Å |
| 60 | F | 84.4 | Confident | 81.4 | Confident | 132 Ų | 132 | 91.4 Ų | 91.4 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.4 | -39.9 | 176.4 | -176.9 | -98.1 | 0 | 0 | 0 | 112.7 | L56 Q57 D58 Y62 G63 L65 | L56-F60 WeakPolarHBondContact O-CB 3.5Å; L56-F60 PolarHBondContact O-N 3.2Å; Q57-F60 PolarHBondContact O-N 3.25Å; D58-F60 VanDerWaalsContact C-N 3.31Å; D58-F60 PolarHBondContact O-N 3.25Å; F60-Y62 VanDerWaalsContact C-N 3.28Å; F60-Y62 PolarHBondContact O-N 3.25Å; F60-G63 WeakPolarHBondContact O-CA 3.11Å; F60-G63 PolarHBondContact O-N 3.44Å; F60-L65 HydrophobicContact CE2-CD2 4.23Å |
| 61 | A | 84.2 | Confident | 80.6 | Confident | 54 Ų | 54 | 87.5 Ų | 87.5 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q57 D58 A59 G63 | Q57-A61 WeakPolarHBondContact O-CB 3.31Å; Q57-A61 PolarHBondContact O-N 3.43Å; D58-A61 WeakPolarHBondContact O-CB 3.32Å; D58-A61 PolarHBondContact O-N 2.99Å; D58-A61 VanDerWaalsContact O-N 3.07Å; A59-A61 VanDerWaalsContact C-N 3.33Å; A59-A61 PolarHBondContact O-N 3.15Å; A61-G63 PolarHBondContact O-N 3.24Å |
| 62 | Y | 80.3 | Confident | 79.5 | Confident | 155 Ų | 155 | 91.4 Ų | 91.4 | 61% | 0.608 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -2.7 | 170.4 | -69.7 | -66.8 | 0 | 0 | 0 | 113.2 | D58 A59 F60 F70 | D58-Y62 HydrophobicContact CB-CE2 4.45Å; D58-Y62 WeakPolarHBondContact O-CD2 3.36Å; D58-Y62 PolarHBondContact O-N 2.96Å; A59-Y62 CarbonylContact O-C 3.51Å; A59-Y62 WeakPolarHBondContact O-CA 3.25Å; A59-Y62 PolarHBondContact O-N 2.92Å; A59-Y62 VanDerWaalsContact O-N 3.1Å; F60-Y62 VanDerWaalsContact C-N 3.28Å; F60-Y62 PolarHBondContact O-N 3.25Å; Y62-F70 VanDerWaalsContact O-CE1 3.32Å; Y62-F70 WeakPolarHBondContact O-CE1 3.26Å; Y62-F70 WeakPolarHBondContact O-CE2 3.46Å; Y62-F70 WeakPolarHBondContact O-CZ 3.35Å |
| 63 | G | 81.1 | Confident | 78.3 | Confident | 2 Ų | 2 | 91.4 Ų | 91.4 | 2% | 0.021 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 12.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A59 F60 A61 L65 F70 A71 V73 | A59-G63 PolarHBondContact O-N 3.42Å; A59-G63 VanDerWaalsContact O-N 3.08Å; F60-G63 WeakPolarHBondContact O-CA 3.11Å; F60-G63 PolarHBondContact O-N 3.44Å; A61-G63 PolarHBondContact O-N 3.24Å; G63-L65 PolarHBondContact O-N 3.23Å; G63-F70 CarbonylContact O-C 3.55Å; G63-F70 WeakPolarHBondContact O-CA 3.33Å; G63-A71 WeakPolarHBondContact CA-O 3.1Å; G63-A71 PolarHBondContact O-N 2.87Å; G63-V73 VanDerWaalsContact CA-CG2 3.49Å |
| 64 | W | 79.5 | Confident | 77.2 | Confident | 158 Ų | 158 | 94.1 Ų | 94.1 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | B | Isolated β-bridge | trans | -67.2 | 128.5 | 170.3 | -108.4 | 70.1 | 0 | 0 | 0 | 111.4 | A59 F70 | A59-W64 HydrophobicContact CB-CB 3.85Å; A59-W64 HydrophobicContact CB-CG 4.32Å; A59-W64 VanDerWaalsContact O-CB 3.32Å; A59-W64 WeakPolarHBondContact O-CB 3.28Å; A59-W64 PolarHBondContact O-N 3.41Å; W64-F70 AromaticContact CD1-CD2 3.65Å; W64-F70 AromaticContact CD1-CE2 3.89Å |
| 65 | L | 78.8 | Confident | 76.1 | Confident | 53 Ų | 53 | 97.9 Ų | 97.9 | 28% | 0.277 | 53% | 0.53 | S | S | . | . | trans | -115 | 150.4 | 172.1 | -69.7 | 164.5 | 0 | 0 | 0 | 109.9 | F60 G63 D67 G68 S69 A71 | F60-L65 HydrophobicContact CE2-CD2 4.23Å; G63-L65 PolarHBondContact O-N 3.23Å; L65-D67 WeakPolarHBondContact CB-OD1 3.45Å; L65-D67 PolarHBondContact O-N 3.4Å; L65-D67 VanDerWaalsContact O-N 3.1Å; L65-G68 PolarHBondContact O-N 3.5Å; L65-S69 VanDerWaalsContact CD1-OG 3.31Å; L65-S69 WeakPolarHBondContact CD1-OG 3.11Å; L65-S69 PolarHBondContact N-O 2.94Å; L65-A71 HydrophobicContact CD1-CB 3.85Å | ||
| 66 | P | 76.8 | Confident | 74.7 | Confident | 138 Ų | 138 | 103.3 Ų | 103.3 | 90% | 0.896 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -9.9 | -177.6 | 24.9 | -33 | 0 | 0 | 0 | 114.3 | ||
| 67 | D | 79.8 | Confident | 73.5 | Confident | 118 Ų | 118 | 103.1 Ų | 103.1 | 63% | 0.631 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 3.2 | 173 | 61.7 | 3.6 | 0 | 0 | 0 | 113.3 | L65 S69 | L65-D67 WeakPolarHBondContact CB-OD1 3.45Å; L65-D67 PolarHBondContact O-N 3.4Å; L65-D67 VanDerWaalsContact O-N 3.1Å; D67-S69 VanDerWaalsContact CG-OG 3.31Å; D67-S69 PolarHBondContact O-N 3.46Å; D67-S69 VanDerWaalsContact OD1-CB 3.25Å; D67-S69 WeakPolarHBondContact OD1-CB 3.36Å; D67-S69 PolarHBondContact OD1-N 2.81Å; D67-S69 PolarHBondContact OD1-OG 3.33Å; D67-S69 PolarHBondContact OD2-OG 3.47Å |
| 68 | G | 69.9 | Low | 72.2 | Confident | 63 Ų | 63 | 104.1 Ų | 104.1 | 65% | 0.649 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 77.7 | 4.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L65 | L65-G68 PolarHBondContact O-N 3.5Š|
| 69 | S | 73.9 | Confident | 70.8 | Confident | 50 Ų | 50 | 110.9 Ų | 110.9 | 35% | 0.35 | 58% | 0.582 | S | S | . | * | trans | -84 | 146.4 | 173.4 | 78.4 | 0 | 0 | 0 | 0 | 111.2 | L65 D67 | L65-S69 VanDerWaalsContact CD1-OG 3.31Å; L65-S69 WeakPolarHBondContact CD1-OG 3.11Å; L65-S69 PolarHBondContact N-O 2.94Å; D67-S69 VanDerWaalsContact CG-OG 3.31Å; D67-S69 PolarHBondContact O-N 3.46Å; D67-S69 VanDerWaalsContact OD1-CB 3.25Å; D67-S69 WeakPolarHBondContact OD1-CB 3.36Å; D67-S69 PolarHBondContact OD1-N 2.81Å; D67-S69 PolarHBondContact OD1-OG 3.33Å; D67-S69 PolarHBondContact OD2-OG 3.47Å | ||
| 70 | F | 70.7 | Confident | 69.1 | Low | 133 Ų | 133 | 113.4 Ų | 113.4 | 58% | 0.583 | 60% | 0.598 | S | S | * | * | B | Isolated β-bridge | trans | -104.4 | 101.7 | 172.8 | -164.7 | -93.6 | 0 | 0 | 0 | 107.4 | Y62 G63 W64 | Y62-F70 VanDerWaalsContact O-CE1 3.32Å; Y62-F70 WeakPolarHBondContact O-CE1 3.26Å; Y62-F70 WeakPolarHBondContact O-CE2 3.46Å; Y62-F70 WeakPolarHBondContact O-CZ 3.35Å; G63-F70 CarbonylContact O-C 3.55Å; G63-F70 WeakPolarHBondContact O-CA 3.33Å; W64-F70 AromaticContact CD1-CD2 3.65Å; W64-F70 AromaticContact CD1-CE2 3.89Å |
| 71 | A | 67.7 | Low | 67.8 | Low | 36 Ų | 36 | 112.7 Ų | 112.7 | 30% | 0.298 | 61% | 0.607 | S | S | . | * | trans | -67 | 135.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | G63 L65 V73 | G63-A71 WeakPolarHBondContact CA-O 3.1Å; G63-A71 PolarHBondContact O-N 2.87Å; L65-A71 HydrophobicContact CD1-CB 3.85Å; A71-V73 HydrophobicContact CB-CG2 4.11Å; A71-V73 PolarHBondContact O-N 3.31Å | ||
| 72 | H | 60.4 | Low | 65.9 | Low | 184 Ų | 184 | 116.7 Ų | 116.7 | 85% | 0.852 | 62% | 0.621 | S | S | * | * | trans | -72.7 | 75 | 173.3 | -170.4 | -76.4 | 0 | 0 | 0 | 109.5 | K74 | H72-K74 PolarHBondContact O-N 3.34Š| ||
| 73 | V | 59.9 | Low | 64.5 | Low | 71 Ų | 71 | 115.1 Ų | 115.1 | 43% | 0.43 | 63% | 0.632 | S | S | . | * | trans | -75.1 | 114.4 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | G63 A71 P75 | G63-V73 VanDerWaalsContact CA-CG2 3.49Å; A71-V73 HydrophobicContact CB-CG2 4.11Å; A71-V73 PolarHBondContact O-N 3.31Å; V73-P75 WeakPolarHBondContact O-CD 3.43Å | ||
| 74 | K | 58.8 | Low | 62.8 | Low | 177 Ų | 177 | 125.1 Ų | 125.1 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.1 | 172.4 | -176.9 | 175.9 | -177.7 | 178.1 | 0 | 106.9 | H72 E76 | H72-K74 PolarHBondContact O-N 3.34Å; K74-E76 PolarHBondContact O-N 3.06Å |
| 75 | P | 61.1 | Low | 61.2 | Low | 107 Ų | 107 | 127.5 Ų | 127.5 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 120.7 | -179 | 22.7 | -32 | 0 | 0 | 0 | 108.3 | V73 | V73-P75 WeakPolarHBondContact O-CD 3.43Š|
| 76 | E | 57.5 | Low | 59.5 | Low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 138.3 | 171.7 | -88.9 | -126.4 | 138.4 | 0 | 0 | 108.9 | K74 V78 | K74-E76 PolarHBondContact O-N 3.06Å; E76-V78 PolarHBondContact O-N 3.06Å |
| 77 | P | 61.4 | Low | 58.1 | Low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122 | -177.7 | 25.9 | -32.2 | 0 | 0 | 0 | 110 | R79 | P77-R79 PolarHBondContact O-N 2.9Å; P77-R79 VanDerWaalsContact O-N 3.12Å |
| 78 | V | 59.3 | Low | 56.8 | Low | 140 Ų | 140 | 127.6 Ų | 127.6 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | trans | -44.5 | 115 | 172.7 | -167.3 | 0 | 0 | 0 | 0 | 109.6 | E76 S80 | E76-V78 PolarHBondContact O-N 3.06Å; V78-S80 PolarHBondContact O-N 3.44Å | ||
| 79 | R | 55.4 | Low | 55.7 | Low | 238 Ų | 238 | 135.1 Ų | 135.1 | 90% | 0.898 | 71% | 0.71 | S | S | * | * | trans | -63.9 | 101.7 | 170.3 | -79.9 | -174.4 | 177.1 | 171.8 | 0.6 | 108.1 | P77 | P77-R79 PolarHBondContact O-N 2.9Å; P77-R79 VanDerWaalsContact O-N 3.12Å | ||
| 80 | S | 50.5 | Low | 54.5 | Low | 83 Ų | 83 | 140.5 Ų | 140.5 | 58% | 0.58 | 73% | 0.734 | S | S | * | * | trans | -57.8 | 130.9 | 175.5 | -164.1 | 0 | 0 | 0 | 0 | 110.1 | V78 D82 | V78-S80 PolarHBondContact O-N 3.44Å; S80-D82 PolarHBondContact O-N 3.42Å | ||
| 81 | P | 56.9 | Low | 53.1 | Low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 7.6 | -175.9 | -16.3 | 30.8 | 0 | 0 | 0 | 116 | ||
| 82 | D | 45.1 | Very low | 52.1 | Low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 13 | -162.1 | -67.6 | -20 | 0 | 0 | 0 | 116.1 | S80 Y84 | S80-D82 PolarHBondContact O-N 3.42Å; D82-Y84 VanDerWaalsContact C-N 3.3Å; D82-Y84 PolarHBondContact O-N 2.91Å |
| 83 | S | 51 | Low | 51.6 | Low | 121 Ų | 121 | 137.8 Ų | 137.8 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -91.9 | 61.9 | 170.1 | 72.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 84 | Y | 45.2 | Very low | 50.6 | Low | 213 Ų | 213 | 144.2 Ų | 144.2 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -85 | 125.6 | 167.4 | -164.9 | -102.1 | 0 | 0 | 0 | 108.3 | D82 | D82-Y84 VanDerWaalsContact C-N 3.3Å; D82-Y84 PolarHBondContact O-N 2.91Å | ||
| 85 | Y | 45.1 | Very low | 49.9 | Very low | 208 Ų | 208 | 139 Ų | 139 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 76.8 | 80 | 163.2 | -137.7 | -92.8 | 0 | 0 | 0 | 117.9 | ||
| 86 | S | 42.5 | Very low | 48.8 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -166.1 | 128.2 | 147.3 | -133.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 87 | S | 48.2 | Very low | 48.5 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | 67.4 | 131.2 | 153.3 | 71.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 88 | S | 53 | Low | 47.8 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | cis | -165.2 | 136.3 | 18.8 | 40.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 89 | Y | 47 | Very low | 47.8 | Very low | 221 Ų | 221 | 139.7 Ų | 139.7 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -58.3 | 122.1 | 167.9 | -6.7 | -86.9 | 0 | 0 | 0 | 109.6 | ||||
| 90 | D | 48.2 | Very low | 47.4 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -130.6 | 98.8 | 148.3 | -164.6 | 7.1 | 0 | 0 | 0 | 107.3 | ||||
| 91 | G | 40.1 | Very low | 46.9 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -96.4 | 118.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 92 | S | 46.7 | Very low | 46.5 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -162.7 | 151.4 | 155.5 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 93 | C | 50.5 | Low | 46.9 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 78.7 | 125.4 | 173.8 | -53.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 94 | F | 40.2 | Very low | 46.6 | Very low | 205 Ų | 205 | 139.6 Ų | 139.6 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | cis | -176 | 139.1 | -13.8 | -171.5 | -106.6 | 0 | 0 | 0 | 105.8 | ||||
| 95 | G | 42.8 | Very low | 46.8 | Very low | 69 Ų | 69 | 135.5 Ų | 135.5 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 75.9 | 109.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 96 | G | 38.4 | Very low | 47.2 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | cis | 103.2 | 106.3 | 39.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 97 | L | 50.9 | Low | 47.2 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | -176.4 | 141.6 | 106.7 | -90.1 | 170.3 | 0 | 0 | 0 | 110.2 | |||||
| 98 | P | 47 | Very low | 47.4 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | trans | -98.8 | -172.8 | -176 | 25.9 | -6.5 | 0 | 0 | 0 | 111.5 | ||||
| 99 | Y | 58.5 | Low | 47 | Very low | 211 Ų | 211 | 134 Ų | 134 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 128.2 | 145.2 | 153.1 | -76 | -73.2 | 0 | 0 | 0 | 115.8 | ||||
| 100 | P | 48.6 | Very low | 46.8 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | -138.8 | -176.7 | -110.4 | 43.2 | -23.1 | 0 | 0 | 0 | 115.4 | |||||
| 101 | E | 39.8 | Very low | 46.5 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 28.9 | 115 | 147 | -70.6 | -152.7 | 135.7 | 0 | 0 | 121.8 | ||||
| 102 | Q | 48.1 | Very low | 46.3 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | 87.5 | 172.3 | 88.9 | -69.8 | -98.4 | 33.5 | 0 | 0 | 113 | |||||
| 103 | P | 52.7 | Low | 46 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 58% | 0.584 | 78% | 0.777 | S | S | * | * | -140 | 150.5 | -90.7 | 40.2 | -20.8 | 0 | 0 | 0 | 115 | |||||
| 104 | L | 45.6 | Very low | 45.6 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -152.7 | 100.8 | 164.6 | -71.5 | 179.4 | 0 | 0 | 0 | 114 | ||||
| 105 | T | 49.2 | Very low | 45.8 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | 26.8 | 178.6 | 123.6 | 70.1 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 106 | P | 53.3 | Low | 46 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -133.9 | -179.7 | -82.6 | 40.7 | -21.1 | 0 | 0 | 0 | 113.8 | |||||
| 107 | G | 42.1 | Very low | 45.9 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 143.5 | 139.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 108 | S | 52.6 | Low | 45.7 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | cis | -178.6 | 133.6 | 12 | 57 | 0 | 0 | 0 | 0 | 107 | ||||
| 109 | E | 44.4 | Very low | 45.9 | Very low | 193 Ų | 193 | 130.8 Ų | 130.8 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | 69.1 | 142.5 | 140 | 1.2 | -170.8 | 141.3 | 0 | 0 | 122.7 | ||||
| 110 | G | 42.9 | Very low | 45.6 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | 113.1 | 73.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 111 | E | 42.6 | Very low | 45.5 | Very low | 190 Ų | 190 | 133.1 Ų | 133.1 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | 87.4 | 109.5 | 81.6 | -166 | 167.6 | 150.7 | 0 | 0 | 114.5 | |||||
| 112 | A | 35.6 | Very low | 45.8 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | 44 | 126.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 113 | A | 40.3 | Very low | 45.7 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | 125.5 | 114.4 | 121.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 114 | A | 41.6 | Very low | 45.4 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | 70.5 | 109.1 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 115 | T | 45.5 | Very low | 45.4 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -40.1 | 145.1 | 163.9 | 0.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 116 | P | 46.1 | Very low | 45.2 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | -145.5 | 131.8 | 90.5 | 34 | -15.3 | 0 | 0 | 0 | 116.8 | |||||
| 117 | S | 36.2 | Very low | 45.1 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | 51.7 | 98.7 | 155.3 | -72.2 | 0 | 0 | 0 | 0 | 121.4 | R119 | S117-R119 PolarHBondContact O-N 3.35Š| ||
| 118 | P | 47.2 | Very low | 45.3 | Very low | 78 Ų | 78 | 118.7 Ų | 118.7 | 51% | 0.506 | 72% | 0.719 | S | S | . | * | trans | -101.6 | 53.4 | 175.9 | 40.3 | -33.2 | 0 | 0 | 0 | 112.9 | R120 E121 | P118-R120 PolarHBondContact O-N 3.43Å; P118-E121 HydrophobicContact CB-CB 4.25Å | ||
| 119 | R | 51.5 | Low | 45.2 | Very low | 239 Ų | 239 | 123.9 Ų | 123.9 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -11.7 | 175.6 | -69.5 | -165.7 | -166.2 | 173 | 6.1 | 114 | S117 | S117-R119 PolarHBondContact O-N 3.35Š|
| 120 | R | 52.2 | Low | 45.7 | Very low | 230 Ų | 230 | 117 Ų | 117 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -20.3 | -178.5 | -146.1 | 171.4 | -176 | 169.9 | -0.6 | 113 | P118 | P118-R120 PolarHBondContact O-N 3.43Š|
| 121 | E | 45.4 | Very low | 46.9 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -21.2 | 176.6 | -77.3 | 178.9 | 153.9 | 0 | 0 | 113.6 | P118 A123 A124 A125 | P118-E121 HydrophobicContact CB-CB 4.25Å; E121-A123 PolarHBondContact O-N 2.77Å; E121-A124 CarbonylContact O-C 3.45Å; E121-A124 WeakPolarHBondContact O-CA 3.31Å; E121-A124 PolarHBondContact O-N 3.31Å; E121-A125 WeakPolarHBondContact O-CB 3.4Å; E121-A125 PolarHBondContact O-N 3.14Å |
| 122 | E | 46.5 | Very low | 49.1 | Very low | 156 Ų | 156 | 118.5 Ų | 118.5 | 73% | 0.729 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -63.3 | -29.6 | 173.3 | -157.3 | 173.7 | -171.8 | 0 | 0 | 111.8 | A124 | E122-A124 VanDerWaalsContact C-N 3.34Å |
| 123 | A | 46.5 | Very low | 51.7 | Low | 79 Ų | 79 | 117.3 Ų | 117.3 | 65% | 0.653 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.9 | -24.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E121 | E121-A123 PolarHBondContact O-N 2.77Å |
| 124 | A | 46 | Very low | 54.2 | Low | 61 Ų | 61 | 117.1 Ų | 117.1 | 50% | 0.504 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -91.1 | -33.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E121 E122 A126 V127 | E121-A124 CarbonylContact O-C 3.45Å; E121-A124 WeakPolarHBondContact O-CA 3.31Å; E121-A124 PolarHBondContact O-N 3.31Å; E122-A124 VanDerWaalsContact C-N 3.34Å; A124-A126 PolarHBondContact O-N 2.99Å; A124-V127 WeakPolarHBondContact O-CB 3.06Å; A124-V127 WeakPolarHBondContact O-CG2 3.43Å; A124-V127 PolarHBondContact O-N 2.77Å; A124-V127 VanDerWaalsContact O-N 3.15Å |
| 125 | A | 45.6 | Very low | 56.6 | Low | 67 Ų | 67 | 113.6 Ų | 113.6 | 55% | 0.554 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.8 | -21.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E121 V127 | E121-A125 WeakPolarHBondContact O-CB 3.4Å; E121-A125 PolarHBondContact O-N 3.14Å; A125-V127 PolarHBondContact O-N 2.65Å |
| 126 | A | 46.1 | Very low | 58.9 | Low | 48 Ų | 48 | 108 Ų | 108 | 40% | 0.397 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | -16.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A124 | A124-A126 PolarHBondContact O-N 2.99Š|
| 127 | V | 49.6 | Very low | 61.2 | Low | 106 Ų | 106 | 107.2 Ų | 107.2 | 64% | 0.642 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -28.1 | -178 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | A124 A125 | A124-V127 WeakPolarHBondContact O-CB 3.06Å; A124-V127 WeakPolarHBondContact O-CG2 3.43Å; A124-V127 PolarHBondContact O-N 2.77Å; A124-V127 VanDerWaalsContact O-N 3.15Å; A125-V127 PolarHBondContact O-N 2.65Å |
| 128 | A | 47.9 | Very low | 64 | Low | 96 Ų | 96 | 108 Ų | 108 | 79% | 0.793 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -83.4 | -12.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 129 | R | 49.1 | Very low | 66.1 | Low | 206 Ų | 206 | 111.8 Ų | 111.8 | 78% | 0.777 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -114.5 | 62.9 | 168.8 | -59.3 | -175.9 | -165.2 | -90.7 | 0.5 | 108.9 | K131 H132 | R129-K131 PolarHBondContact O-N 2.77Å; R129-H132 PolarHBondContact O-CE1 2.94Å; R129-H132 VanDerWaalsContact O-CE1 3.29Å; R129-H132 PolarHBondContact O-ND1 3.15Å |
| 130 | G | 55.9 | Low | 68.1 | Low | 50 Ų | 50 | 106.9 Ų | 106.9 | 52% | 0.515 | 56% | 0.56 | S | S | . | * | trans | 40.7 | 73.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | H132 | G130-H132 PolarHBondContact O-CE1 3.17Å; G130-H132 PolarHBondContact O-N 2.77Å; G130-H132 PolarHBondContact O-ND1 3.35Å | ||
| 131 | K | 68.1 | Low | 69.8 | Low | 173 Ų | 173 | 105.7 Ų | 105.7 | 75% | 0.752 | 56% | 0.556 | S | S | * | * | trans | 40.1 | 49.6 | 152.7 | -37.3 | -177.1 | -166 | -155.6 | 0 | 116.5 | R129 | R129-K131 PolarHBondContact O-N 2.77Š| ||
| 132 | H | 87.2 | Confident | 72 | Confident | 119 Ų | 119 | 101.2 Ų | 101.2 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 126.6 | 175.1 | -62.5 | 88 | 0 | 0 | 0 | 110 | R129 G130 | R129-H132 PolarHBondContact O-CE1 2.94Å; R129-H132 VanDerWaalsContact O-CE1 3.29Å; R129-H132 PolarHBondContact O-ND1 3.15Å; G130-H132 PolarHBondContact O-CE1 3.17Å; G130-H132 PolarHBondContact O-N 2.77Å; G130-H132 PolarHBondContact O-ND1 3.35Å |
| 133 | Y | 91.7 | Very high | 74.2 | Confident | 66 Ų | 66 | 97.8 Ų | 97.8 | 26% | 0.259 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 151.7 | 174.2 | -64.5 | -72.8 | 0 | 0 | 0 | 111.7 | G135 V136 A166 E167 A170 N188 F189 | Y133-G135 PolarHBondContact O-N 2.95Å; Y133-V136 PolarHBondContact O-N 3.41Å; Y133-V136 VanDerWaalsContact O-N 3.16Å; Y133-A166 HydrophobicContact CD2-CB 3.75Å; Y133-A166 WeakPolarHBondContact CD2-O 3.39Å; Y133-A166 HydrophobicContact CE2-CB 3.75Å; Y133-E167 HydrophobicContact CE2-CG 4.34Å; Y133-A170 HydrophobicContact CD1-CB 4.15Å; Y133-A170 HydrophobicContact CD2-CB 4.1Å; Y133-A170 HydrophobicContact CG-CB 3.68Å; Y133-N188 HydrophobicContact CD1-CB 4.37Å; Y133-F189 HydrophobicContact CD1-CE1 4.49Å; Y133-F189 HydrophobicContact CD1-CZ 4.02Å; Y133-F189 AromaticContact CE1-CE1 3.8Å; Y133-F189 HydrophobicContact CE1-CE1 3.8Å; Y133-F189 AromaticContact CE1-CZ 3.56Å; Y133-F189 HydrophobicContact CE1-CZ 3.56Å; Y133-F189 AromaticContact CZ-CZ 3.89Å |
| 134 | R | 92.1 | Very high | 76.5 | Confident | 94 Ų | 94 | 95.8 Ų | 95.8 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 134.5 | 179 | -159.5 | 176.2 | 92.1 | -136 | 1.4 | 110.3 | V136 Y173 L186 N188 | R134-V136 PolarHBondContact O-N 3.12Å; R134-Y173 HydrophobicContact CB-CE1 4.12Å; R134-Y173 HydrophobicContact CG-CE1 4.05Å; R134-Y173 VanDerWaalsContact NE-CE1 3.3Å; R134-Y173 PolarHBondContact NE-OH 3.14Å; R134-Y173 VanDerWaalsContact NH2-CE1 3.3Å; R134-Y173 PolarHBondContact NH2-OH 3.32Å; R134-Y173 VanDerWaalsContact O-CD1 3.25Å; R134-Y173 WeakPolarHBondContact O-CD1 3.3Å; R134-L186 PolarHBondContact NH1-O 3.22Å; R134-L186 PolarHBondContact NH2-O 3.31Å; R134-N188 WeakPolarHBondContact CB-OD1 3.49Å; R134-N188 PolarHBondContact N-OD1 3.5Å; R134-N188 PolarHBondContact O-ND2 3.31Å |
| 135 | G | 92.5 | Very high | 78.9 | Confident | 24 Ų | 24 | 93.2 Ų | 93.2 | 25% | 0.247 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -1.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y133 A146 E147 | Y133-G135 PolarHBondContact O-N 2.95Å; G135-A146 WeakPolarHBondContact O-CA 3.37Å; G135-E147 PolarHBondContact O-N 3.41Å |
| 136 | V | 94.4 | Very high | 81.3 | Confident | 18 Ų | 18 | 90 Ų | 90 | 11% | 0.109 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.5 | -178.1 | -175 | 0 | 0 | 0 | 0 | 110.3 | Y133 R134 F144 A145 A169 A170 | Y133-V136 PolarHBondContact O-N 3.41Å; Y133-V136 VanDerWaalsContact O-N 3.16Å; R134-V136 PolarHBondContact O-N 3.12Å; V136-F144 HydrophobicContact CG1-CB 3.85Å; V136-F144 HydrophobicContact CG1-CD1 3.84Å; V136-F144 HydrophobicContact CG1-CG 4.25Å; V136-A145 WeakPolarHBondContact CA-O 3.4Å; V136-A169 HydrophobicContact CB-CB 4.38Å; V136-A169 HydrophobicContact CG1-CB 3.78Å; V136-A169 HydrophobicContact CG2-CB 3.67Å; V136-A170 HydrophobicContact CG2-CB 3.96Å |
| 137 | R | 94.3 | Very high | 83.6 | Confident | 108 Ų | 108 | 89.6 Ų | 89.6 | 41% | 0.408 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.3 | 172.1 | 63.1 | -176.7 | 174.6 | 88.3 | 0.7 | 111 | A145 E147 | R137-A145 HydrophobicContact CG-CB 3.87Å; R137-A145 PolarHBondContact N-O 3.16Å; R137-A145 PolarHBondContact O-N 3.39Å; R137-E147 IonicContact CZ-OE2 3.64Å; R137-E147 IonicContact NE-OE2 2.92Å; R137-E147 PolarHBondContact NE-OE2 3.06Å; R137-E147 IonicContact NH2-OE2 3.48Å; R137-E147 PolarHBondContact NH2-OE2 2.94Å |
| 138 | Q | 93.4 | Very high | 85.7 | Confident | 116 Ų | 116 | 85 Ų | 85 | 54% | 0.542 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.6 | 175.6 | -165.7 | 176.9 | 33.5 | 0 | 0 | 110 | F144 | Q138-F144 HydrophobicContact CB-CD1 4.46Å; Q138-F144 HydrophobicContact CB-CE1 4.35Å; Q138-F144 HydrophobicContact CG-CD1 4.47Å; Q138-F144 HydrophobicContact CG-CE1 4.09Å |
| 139 | R | 92.4 | Very high | 87.9 | Confident | 157 Ų | 157 | 86.7 Ų | 86.7 | 59% | 0.592 | 40% | 0.404 | S | S | * | . | trans | -84.1 | 151 | 170.8 | -163.7 | 83.7 | -164.3 | -130.5 | 14.6 | 108.1 | W141 G142 K143 | R139-W141 HydrophobicContact CB-CB 4.33Å; R139-W141 HydrophobicContact CG-CB 4.06Å; R139-W141 PolarHBondContact O-N 2.83Å; R139-G142 PolarHBondContact O-N 3.31Å; R139-K143 PolarHBondContact N-O 3.31Å; R139-K143 VanDerWaalsContact N-O 3.14Å | ||
| 140 | P | 92.2 | Very high | 89.8 | Confident | 137 Ų | 137 | 77.1 Ų | 77.1 | 89% | 0.89 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -13.7 | 169.9 | 22.3 | -35.9 | 0 | 0 | 0 | 114.2 | G142 | P140-G142 PolarHBondContact O-N 3.07Š|
| 141 | W | 88.7 | Confident | 91.3 | Very high | 204 Ų | 204 | 80.8 Ų | 80.8 | 77% | 0.773 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.8 | 170.7 | -173.8 | -117.5 | 0 | 0 | 0 | 114 | R139 K143 | R139-W141 HydrophobicContact CB-CB 4.33Å; R139-W141 HydrophobicContact CG-CB 4.06Å; R139-W141 PolarHBondContact O-N 2.83Å; W141-K143 VanDerWaalsContact C-N 3.32Å; W141-K143 VanDerWaalsContact CD1-CG 3.43Å; W141-K143 PolarHBondContact O-N 2.91Å |
| 142 | G | 91 | Very high | 92.2 | Very high | 40 Ų | 40 | 77.1 Ų | 77.1 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 88.2 | -13 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | R139 P140 | R139-G142 PolarHBondContact O-N 3.31Å; P140-G142 PolarHBondContact O-N 3.07Å |
| 143 | K | 94.1 | Very high | 92.1 | Very high | 84 Ų | 84 | 78.1 Ų | 78.1 | 37% | 0.365 | 39% | 0.388 | S | S | . | . | trans | -75.8 | 152.6 | 174.1 | -59 | -68.5 | -175.7 | 179.3 | 0 | 111.9 | R139 W141 D164 | R139-K143 PolarHBondContact N-O 3.31Å; R139-K143 VanDerWaalsContact N-O 3.14Å; W141-K143 VanDerWaalsContact C-N 3.32Å; W141-K143 VanDerWaalsContact CD1-CG 3.43Å; W141-K143 PolarHBondContact O-N 2.91Å; K143-D164 VanDerWaalsContact CD-OD1 3.26Å; K143-D164 WeakPolarHBondContact CD-OD1 3.44Å; K143-D164 WeakPolarHBondContact CE-OD1 3.28Å; K143-D164 IonicContact NZ-OD1 3.67Å; K143-D164 PolarHBondContact NZ-OD1 3.1Å; K143-D164 IonicContact NZ-OD2 2.59Å | ||
| 144 | F | 95 | Very high | 92 | Very high | 38 Ų | 38 | 83.1 Ų | 83.1 | 17% | 0.167 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.5 | 176 | -61.3 | -82.1 | 0 | 0 | 0 | 109.6 | V136 Q138 T162 Y163 D164 A166 A169 | V136-F144 HydrophobicContact CG1-CB 3.85Å; V136-F144 HydrophobicContact CG1-CD1 3.84Å; V136-F144 HydrophobicContact CG1-CG 4.25Å; Q138-F144 HydrophobicContact CB-CD1 4.46Å; Q138-F144 HydrophobicContact CB-CE1 4.35Å; Q138-F144 HydrophobicContact CG-CD1 4.47Å; Q138-F144 HydrophobicContact CG-CE1 4.09Å; F144-T162 CarbonylContact O-C 3.54Å; F144-T162 WeakPolarHBondContact O-CA 3.43Å; F144-Y163 PolarHBondContact N-O 2.93Å; F144-Y163 PolarHBondContact O-N 2.97Å; F144-D164 WeakPolarHBondContact CD2-O 3.33Å; F144-D164 WeakPolarHBondContact CE2-O 3.36Å; F144-A166 HydrophobicContact CD1-CB 3.84Å; F144-A166 HydrophobicContact CD2-CB 4.31Å; F144-A166 HydrophobicContact CE1-CB 3.65Å; F144-A166 HydrophobicContact CE2-CB 4.15Å; F144-A166 HydrophobicContact CG-CB 4.17Å; F144-A166 HydrophobicContact CZ-CB 3.82Å; F144-A169 HydrophobicContact CB-CB 3.91Å |
| 145 | A | 95.2 | Very high | 91.8 | Very high | 7 Ų | 7 | 80.3 Ų | 80.3 | 6% | 0.058 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V136 R137 T162 | V136-A145 WeakPolarHBondContact CA-O 3.4Å; R137-A145 HydrophobicContact CG-CB 3.87Å; R137-A145 PolarHBondContact N-O 3.16Å; R137-A145 PolarHBondContact O-N 3.39Å; A145-T162 HydrophobicContact CB-CG2 4.15Å |
| 146 | A | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G135 L160 G161 Y163 A169 | G135-A146 WeakPolarHBondContact O-CA 3.37Å; A146-L160 HydrophobicContact CB-CB 4.15Å; A146-L160 HydrophobicContact CB-CD1 4.34Å; A146-L160 WeakPolarHBondContact O-CB 3.41Å; A146-L160 PolarHBondContact O-N 2.94Å; A146-G161 PolarHBondContact N-O 2.97Å; A146-G161 PolarHBondContact O-N 3.35Å; A146-Y163 HydrophobicContact CB-CD2 4.2Å; A146-Y163 HydrophobicContact CB-CE2 3.87Å; A146-A169 HydrophobicContact CB-CB 4.26Å; A146-A169 WeakPolarHBondContact CB-O 3.39Å |
| 147 | E | 94.6 | Very high | 91.7 | Very high | 38 Ų | 38 | 88.4 Ų | 88.4 | 18% | 0.178 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148 | 175.9 | 61.2 | -172.6 | -127.9 | 0 | 0 | 110.5 | G135 R137 V158 Y173 | G135-E147 PolarHBondContact O-N 3.41Å; R137-E147 IonicContact CZ-OE2 3.64Å; R137-E147 IonicContact NE-OE2 2.92Å; R137-E147 PolarHBondContact NE-OE2 3.06Å; R137-E147 IonicContact NH2-OE2 3.48Å; R137-E147 PolarHBondContact NH2-OE2 2.94Å; E147-V158 CarbonylContact C-O 3.58Å; E147-V158 VanDerWaalsContact CA-O 3.27Å; E147-V158 WeakPolarHBondContact CA-O 3.32Å; E147-Y173 WeakPolarHBondContact O-CD2 3.25Å; E147-Y173 WeakPolarHBondContact O-CE2 3.13Å |
| 148 | I | 94.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 86.2 Ų | 86.2 | 5% | 0.046 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 151.4 | 177.9 | -170 | 163.5 | 0 | 0 | 0 | 111 | R157 V158 L160 Y173 A176 A177 M180 | I148-R157 WeakPolarHBondContact O-CA 3.33Å; I148-V158 HydrophobicContact CG2-CB 3.71Å; I148-V158 HydrophobicContact CG2-CG1 4.38Å; I148-V158 HydrophobicContact CG2-CG2 4.45Å; I148-V158 PolarHBondContact N-O 3.36Å; I148-V158 PolarHBondContact O-N 2.9Å; I148-L160 HydrophobicContact CB-CD1 4.21Å; I148-L160 HydrophobicContact CG2-CD1 4.33Å; I148-L160 HydrophobicContact CG2-CD2 3.85Å; I148-L160 HydrophobicContact CG2-CG 4.21Å; I148-Y173 HydrophobicContact CB-CD2 4.28Å; I148-Y173 HydrophobicContact CB-CE2 4.06Å; I148-Y173 HydrophobicContact CD1-CE2 4.43Å; I148-Y173 HydrophobicContact CG1-CE2 4.01Å; I148-A176 HydrophobicContact CD1-CB 3.95Å; I148-A176 HydrophobicContact CG2-CB 4.39Å; I148-A177 HydrophobicContact CD1-CB 4.06Å; I148-M180 HydrophobicContact CD1-CG 4.46Å; I148-M180 HydrophobicContact CD1-SD 3.73Å; I148-M180 HydrophobicContact CG1-SD 4.26Å; I148-M180 HydrophobicContact CG2-SD 4.49Å |
| 149 | R | 93.9 | Very high | 91.7 | Very high | 132 Ų | 132 | 89.3 Ų | 89.3 | 50% | 0.498 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.3 | -179.3 | -69.9 | 177.1 | -178.2 | -102.3 | 6.9 | 110.3 | R157 | R149-R157 HydrophobicContact CG-CG 4.36Å |
| 150 | D | 88.2 | Confident | 91.8 | Very high | 5 Ų | 5 | 84.2 Ų | 84.2 | 3% | 0.027 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 106 | -170.1 | -58.2 | -13.8 | 0 | 0 | 0 | 110.3 | A152 K153 G155 A156 M180 | D150-A152 PolarHBondContact O-N 3.43Å; D150-K153 HydrophobicContact CB-CB 4.06Å; D150-K153 HydrophobicContact CB-CG 4.38Å; D150-K153 PolarHBondContact O-N 3.48Å; D150-K153 VanDerWaalsContact O-N 3.15Å; D150-G155 VanDerWaalsContact O-CA 3.24Å; D150-G155 WeakPolarHBondContact O-CA 3.32Å; D150-G155 PolarHBondContact O-N 3.19Å; D150-A156 PolarHBondContact N-O 2.88Å; D150-M180 HydrophobicContact CB-CE 3.68Å; D150-M180 WeakPolarHBondContact OD1-CE 3.1Å; D150-M180 WeakPolarHBondContact OD2-CE 3.47Å |
| 151 | P | 87.5 | Confident | 92 | Very high | 128 Ų | 128 | 78.4 Ų | 78.4 | 83% | 0.831 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -64.8 | -25.8 | 179.7 | 26.3 | -33.8 | 0 | 0 | 0 | 112.2 | K153 | P151-K153 VanDerWaalsContact C-N 3.34Š|
| 152 | A | 86.8 | Confident | 92.4 | Very high | 96 Ų | 96 | 72.9 Ų | 72.9 | 79% | 0.793 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -73.7 | -22.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | D150 | D150-A152 PolarHBondContact O-N 3.43Š|
| 153 | K | 86.7 | Confident | 92.6 | Very high | 140 Ų | 140 | 73.1 Ų | 73.1 | 61% | 0.609 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -113.8 | 51 | -177.3 | -62.4 | -177 | 175.9 | -179.9 | 0 | 111 | D150 P151 G155 A156 | D150-K153 HydrophobicContact CB-CB 4.06Å; D150-K153 HydrophobicContact CB-CG 4.38Å; D150-K153 PolarHBondContact O-N 3.48Å; D150-K153 VanDerWaalsContact O-N 3.15Å; P151-K153 VanDerWaalsContact C-N 3.34Å; K153-G155 PolarHBondContact O-N 2.92Å; K153-A156 HydrophobicContact CB-CB 4.39Å; K153-A156 VanDerWaalsContact O-CB 3.3Å; K153-A156 WeakPolarHBondContact O-CB 3.37Å; K153-A156 PolarHBondContact O-N 3.06Å |
| 154 | N | 88.8 | Confident | 92.7 | Very high | 170 Ų | 170 | 74.5 Ų | 74.5 | 91% | 0.909 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 28 | -179.2 | -75.1 | 39.7 | 0 | 0 | 0 | 115.1 | A156 | N154-A156 PolarHBondContact O-N 3.09Š|
| 155 | G | 88.4 | Confident | 92.7 | Very high | 35 Ų | 35 | 75.8 Ų | 75.8 | 36% | 0.361 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 22.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D150 K153 R157 | D150-G155 VanDerWaalsContact O-CA 3.24Å; D150-G155 WeakPolarHBondContact O-CA 3.32Å; D150-G155 PolarHBondContact O-N 3.19Å; K153-G155 PolarHBondContact O-N 2.92Å; G155-R157 PolarHBondContact O-N 3.38Å |
| 156 | A | 91.4 | Very high | 92.6 | Very high | 46 Ų | 46 | 76.1 Ų | 76.1 | 38% | 0.38 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 137.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D150 K153 N154 | D150-A156 PolarHBondContact N-O 2.88Å; K153-A156 HydrophobicContact CB-CB 4.39Å; K153-A156 VanDerWaalsContact O-CB 3.3Å; K153-A156 WeakPolarHBondContact O-CB 3.37Å; K153-A156 PolarHBondContact O-N 3.06Å; N154-A156 PolarHBondContact O-N 3.09Å |
| 157 | R | 93.5 | Very high | 92.4 | Very high | 166 Ų | 166 | 80 Ų | 80 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.4 | 176.6 | -56.4 | -177 | -168.6 | -162.3 | 3.2 | 107.9 | I148 R149 G155 | I148-R157 WeakPolarHBondContact O-CA 3.33Å; R149-R157 HydrophobicContact CG-CG 4.36Å; G155-R157 PolarHBondContact O-N 3.38Å |
| 158 | V | 93.2 | Very high | 92.4 | Very high | 63 Ų | 63 | 81.2 Ų | 81.2 | 38% | 0.382 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.8 | 174.2 | -178 | 0 | 0 | 0 | 0 | 107.8 | E147 I148 L160 | E147-V158 CarbonylContact C-O 3.58Å; E147-V158 VanDerWaalsContact CA-O 3.27Å; E147-V158 WeakPolarHBondContact CA-O 3.32Å; I148-V158 HydrophobicContact CG2-CB 3.71Å; I148-V158 HydrophobicContact CG2-CG1 4.38Å; I148-V158 HydrophobicContact CG2-CG2 4.45Å; I148-V158 PolarHBondContact N-O 3.36Å; I148-V158 PolarHBondContact O-N 2.9Å; V158-L160 HydrophobicContact CG1-CD2 4.39Å |
| 159 | W | 94 | Very high | 92.4 | Very high | 181 Ų | 181 | 80.8 Ų | 80.8 | 69% | 0.686 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.6 | 174.6 | 178 | 21.5 | 0 | 0 | 0 | 108.8 | G161 T162 | W159-G161 VanDerWaalsContact CD1-N 3.32Å; W159-G161 VanDerWaalsContact NE1-C 3.26Å; W159-G161 PolarHBondContact NE1-O 3.46Å; W159-G161 VanDerWaalsContact NE1-O 3.15Å; W159-T162 HydrophobicContact CZ2-CG2 4.03Å |
| 160 | L | 95 | Very high | 92.4 | Very high | 49 Ų | 49 | 74.5 Ų | 74.5 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -34.2 | -177.9 | -58.8 | 176.7 | 0 | 0 | 0 | 112.1 | A146 I148 V158 Y173 A176 | A146-L160 HydrophobicContact CB-CB 4.15Å; A146-L160 HydrophobicContact CB-CD1 4.34Å; A146-L160 WeakPolarHBondContact O-CB 3.41Å; A146-L160 PolarHBondContact O-N 2.94Å; I148-L160 HydrophobicContact CB-CD1 4.21Å; I148-L160 HydrophobicContact CG2-CD1 4.33Å; I148-L160 HydrophobicContact CG2-CD2 3.85Å; I148-L160 HydrophobicContact CG2-CG 4.21Å; V158-L160 HydrophobicContact CG1-CD2 4.39Å; L160-Y173 HydrophobicContact CD1-CD2 4.22Å; L160-A176 HydrophobicContact CD1-CB 3.6Å; L160-A176 HydrophobicContact CD2-CB 3.51Å; L160-A176 HydrophobicContact CG-CB 4.21Å |
| 161 | G | 95.9 | Very high | 92.7 | Very high | 16 Ų | 16 | 75.4 Ų | 75.4 | 17% | 0.165 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | -178.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A146 W159 | A146-G161 PolarHBondContact N-O 2.97Å; A146-G161 PolarHBondContact O-N 3.35Å; W159-G161 VanDerWaalsContact CD1-N 3.32Å; W159-G161 VanDerWaalsContact NE1-C 3.26Å; W159-G161 PolarHBondContact NE1-O 3.46Å; W159-G161 VanDerWaalsContact NE1-O 3.15Å |
| 162 | T | 96.6 | Very high | 93 | Very high | 88 Ų | 88 | 69.6 Ų | 69.6 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.2 | 169.3 | 52.8 | 0 | 0 | 0 | 0 | 108.3 | F144 A145 W159 | F144-T162 CarbonylContact O-C 3.54Å; F144-T162 WeakPolarHBondContact O-CA 3.43Å; A145-T162 HydrophobicContact CB-CG2 4.15Å; W159-T162 HydrophobicContact CZ2-CG2 4.03Å |
| 163 | Y | 96 | Very high | 93.4 | Very high | 45 Ų | 45 | 66.4 Ų | 66.4 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 156 | -172.6 | -56.2 | -85.7 | 0 | 0 | 0 | 110.2 | F144 A146 D168 A169 A172 | F144-Y163 PolarHBondContact N-O 2.93Å; F144-Y163 PolarHBondContact O-N 2.97Å; A146-Y163 HydrophobicContact CB-CD2 4.2Å; A146-Y163 HydrophobicContact CB-CE2 3.87Å; Y163-D168 HydrophobicContact CD1-CB 4.31Å; Y163-D168 WeakPolarHBondContact CD1-OD2 3.29Å; Y163-A169 HydrophobicContact CD2-CB 3.66Å; Y163-A169 HydrophobicContact CG-CB 4.11Å; Y163-A172 HydrophobicContact CE1-CB 4.18Å; Y163-A172 HydrophobicContact CE2-CB 3.52Å; Y163-A172 WeakPolarHBondContact OH-CB 3.3Å |
| 164 | D | 94.8 | Very high | 93.8 | Very high | 113 Ų | 113 | 59.8 Ų | 59.8 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -80.9 | -29.1 | -179.8 | -66.5 | -20.8 | 0 | 0 | 0 | 112.2 | K143 F144 | K143-D164 VanDerWaalsContact CD-OD1 3.26Å; K143-D164 WeakPolarHBondContact CD-OD1 3.44Å; K143-D164 WeakPolarHBondContact CE-OD1 3.28Å; K143-D164 IonicContact NZ-OD1 3.67Å; K143-D164 PolarHBondContact NZ-OD1 3.1Å; K143-D164 IonicContact NZ-OD2 2.59Å; F144-D164 WeakPolarHBondContact CD2-O 3.33Å; F144-D164 WeakPolarHBondContact CE2-O 3.36Å |
| 165 | T | 94.9 | Very high | 94 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -111 | 151.2 | 179.7 | 67 | 0 | 0 | 0 | 0 | 111.1 | E167 D168 A169 | T165-E167 VanDerWaalsContact C-N 3.29Å; T165-E167 WeakPolarHBondContact CB-OE2 3.46Å; T165-D168 WeakPolarHBondContact OG1-CB 3.09Å; T165-D168 PolarHBondContact OG1-N 2.92Å; T165-D168 VanDerWaalsContact OG1-N 3.15Å; T165-A169 PolarHBondContact O-N 3.45Å |
| 166 | A | 93.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 12% | 0.116 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.3 | -32.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y133 F144 A170 | Y133-A166 HydrophobicContact CD2-CB 3.75Å; Y133-A166 WeakPolarHBondContact CD2-O 3.39Å; Y133-A166 HydrophobicContact CE2-CB 3.75Å; F144-A166 HydrophobicContact CD1-CB 3.84Å; F144-A166 HydrophobicContact CD2-CB 4.31Å; F144-A166 HydrophobicContact CE1-CB 3.65Å; F144-A166 HydrophobicContact CE2-CB 4.15Å; F144-A166 HydrophobicContact CG-CB 4.17Å; F144-A166 HydrophobicContact CZ-CB 3.82Å; A166-A170 VanDerWaalsContact O-CB 3.31Å; A166-A170 WeakPolarHBondContact O-CB 3.47Å; A166-A170 PolarHBondContact O-N 3.4Å |
| 167 | E | 93.5 | Very high | 94.3 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 38% | 0.379 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.6 | -44.5 | 180 | -61.3 | 77.7 | -171 | 0 | 0 | 112.1 | Y133 T165 A170 L171 F189 | Y133-E167 HydrophobicContact CE2-CG 4.34Å; T165-E167 VanDerWaalsContact C-N 3.29Å; T165-E167 WeakPolarHBondContact CB-OE2 3.46Å; E167-A170 WeakPolarHBondContact O-CB 3.36Å; E167-A170 PolarHBondContact O-N 3.07Å; E167-L171 WeakPolarHBondContact O-CG 3.37Å; E167-L171 PolarHBondContact O-N 2.92Å; E167-F189 HydrophobicContact CB-CZ 4.36Å; E167-F189 HydrophobicContact CG-CZ 4.43Å |
| 168 | D | 93.9 | Very high | 94.3 | Very high | 63 Ų | 63 | 48 Ų | 48 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.9 | -39.8 | 178.7 | -170.8 | 28.7 | 0 | 0 | 0 | 111.5 | Y163 T165 A170 L171 A172 R175 | Y163-D168 HydrophobicContact CD1-CB 4.31Å; Y163-D168 WeakPolarHBondContact CD1-OD2 3.29Å; T165-D168 WeakPolarHBondContact OG1-CB 3.09Å; T165-D168 PolarHBondContact OG1-N 2.92Å; T165-D168 VanDerWaalsContact OG1-N 3.15Å; D168-A170 VanDerWaalsContact C-N 3.27Å; D168-A170 PolarHBondContact O-N 3.08Å; D168-L171 PolarHBondContact O-N 3.01Å; D168-A172 PolarHBondContact O-N 2.76Å; D168-R175 IonicContact OD1-NH2 3.89Å |
| 169 | A | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.6 | -42.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V136 F144 A146 Y163 T165 A172 Y173 | V136-A169 HydrophobicContact CB-CB 4.38Å; V136-A169 HydrophobicContact CG1-CB 3.78Å; V136-A169 HydrophobicContact CG2-CB 3.67Å; F144-A169 HydrophobicContact CB-CB 3.91Å; A146-A169 HydrophobicContact CB-CB 4.26Å; A146-A169 WeakPolarHBondContact CB-O 3.39Å; Y163-A169 HydrophobicContact CD2-CB 3.66Å; Y163-A169 HydrophobicContact CG-CB 4.11Å; T165-A169 PolarHBondContact O-N 3.45Å; A169-A172 PolarHBondContact O-N 3.41Å; A169-Y173 PolarHBondContact O-N 3.28Å; A169-Y173 VanDerWaalsContact O-N 3.07Å |
| 170 | A | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.9 | -35.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y133 V136 A166 E167 D168 Y173 D174 N188 F189 | Y133-A170 HydrophobicContact CD1-CB 4.15Å; Y133-A170 HydrophobicContact CD2-CB 4.1Å; Y133-A170 HydrophobicContact CG-CB 3.68Å; V136-A170 HydrophobicContact CG2-CB 3.96Å; A166-A170 VanDerWaalsContact O-CB 3.31Å; A166-A170 WeakPolarHBondContact O-CB 3.47Å; A166-A170 PolarHBondContact O-N 3.4Å; E167-A170 WeakPolarHBondContact O-CB 3.36Å; E167-A170 PolarHBondContact O-N 3.07Å; D168-A170 VanDerWaalsContact C-N 3.27Å; D168-A170 PolarHBondContact O-N 3.08Å; A170-Y173 PolarHBondContact O-N 3.06Å; A170-D174 WeakPolarHBondContact O-CB 3.4Å; A170-D174 VanDerWaalsContact O-CG 3.28Å; A170-D174 PolarHBondContact O-N 2.91Å; A170-N188 HydrophobicContact CB-CB 4.33Å; A170-F189 HydrophobicContact CB-CD2 4.43Å; A170-F189 HydrophobicContact CB-CE2 3.56Å; A170-F189 HydrophobicContact CB-CZ 4.19Å |
| 171 | L | 94 | Very high | 93.7 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 173 | -74.6 | 171.6 | 0 | 0 | 0 | 112 | E167 D168 Y173 D174 R175 F189 R192 | E167-L171 WeakPolarHBondContact O-CG 3.37Å; E167-L171 PolarHBondContact O-N 2.92Å; D168-L171 PolarHBondContact O-N 3.01Å; L171-Y173 VanDerWaalsContact C-N 3.31Å; L171-Y173 PolarHBondContact O-N 3.39Å; L171-D174 PolarHBondContact O-N 3.38Å; L171-R175 WeakPolarHBondContact O-CG 3.27Å; L171-R175 PolarHBondContact O-N 3.21Å; L171-R175 PolarHBondContact O-NE 2.89Å; L171-F189 HydrophobicContact CD2-CB 4.48Å; L171-F189 HydrophobicContact CD2-CD2 3.67Å; L171-F189 HydrophobicContact CD2-CE2 4.31Å; L171-F189 HydrophobicContact CD2-CG 4.42Å; L171-F189 HydrophobicContact CG-CD2 4.01Å; L171-F189 HydrophobicContact CG-CE2 4.15Å; L171-R192 HydrophobicContact CD2-CB 4.37Å |
| 172 | A | 94.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y163 D168 A169 R175 A176 | Y163-A172 HydrophobicContact CE1-CB 4.18Å; Y163-A172 HydrophobicContact CE2-CB 3.52Å; Y163-A172 WeakPolarHBondContact OH-CB 3.3Å; D168-A172 PolarHBondContact O-N 2.76Å; A169-A172 PolarHBondContact O-N 3.41Å; A172-R175 PolarHBondContact O-N 2.92Å; A172-A176 PolarHBondContact O-N 3.46Å; A172-A176 VanDerWaalsContact O-N 3.07Å |
| 173 | Y | 95.2 | Very high | 92.9 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 174.2 | 179.5 | -94.2 | 0 | 0 | 0 | 112.5 | R134 E147 I148 L160 A169 A170 L171 A176 A177 | R134-Y173 HydrophobicContact CB-CE1 4.12Å; R134-Y173 HydrophobicContact CG-CE1 4.05Å; R134-Y173 VanDerWaalsContact NE-CE1 3.3Å; R134-Y173 PolarHBondContact NE-OH 3.14Å; R134-Y173 VanDerWaalsContact NH2-CE1 3.3Å; R134-Y173 PolarHBondContact NH2-OH 3.32Å; R134-Y173 VanDerWaalsContact O-CD1 3.25Å; R134-Y173 WeakPolarHBondContact O-CD1 3.3Å; E147-Y173 WeakPolarHBondContact O-CD2 3.25Å; E147-Y173 WeakPolarHBondContact O-CE2 3.13Å; I148-Y173 HydrophobicContact CB-CD2 4.28Å; I148-Y173 HydrophobicContact CB-CE2 4.06Å; I148-Y173 HydrophobicContact CD1-CE2 4.43Å; I148-Y173 HydrophobicContact CG1-CE2 4.01Å; L160-Y173 HydrophobicContact CD1-CD2 4.22Å; A169-Y173 PolarHBondContact O-N 3.28Å; A169-Y173 VanDerWaalsContact O-N 3.07Å; A170-Y173 PolarHBondContact O-N 3.06Å; L171-Y173 VanDerWaalsContact C-N 3.31Å; L171-Y173 PolarHBondContact O-N 3.39Å; Y173-A176 PolarHBondContact O-N 3.18Å; Y173-A177 HydrophobicContact CE1-CB 4.36Å; Y173-A177 VanDerWaalsContact O-CB 3.3Å; Y173-A177 WeakPolarHBondContact O-CB 3.43Å; Y173-A177 PolarHBondContact O-N 3.46Å |
| 174 | D | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 178.1 | -79.6 | -11.1 | 0 | 0 | 0 | 112.5 | A170 L171 A177 Y178 L187 N188 F189 I193 | A170-D174 WeakPolarHBondContact O-CB 3.4Å; A170-D174 VanDerWaalsContact O-CG 3.28Å; A170-D174 PolarHBondContact O-N 2.91Å; L171-D174 PolarHBondContact O-N 3.38Å; D174-A177 PolarHBondContact O-N 3.15Å; D174-Y178 WeakPolarHBondContact O-CB 3.45Å; D174-Y178 PolarHBondContact O-N 3.22Å; D174-L187 HydrophobicContact CB-CB 4.42Å; D174-L187 HydrophobicContact CB-CD2 3.93Å; D174-L187 WeakPolarHBondContact O-CD2 3.45Å; D174-L187 VanDerWaalsContact OD1-CA 3.29Å; D174-L187 WeakPolarHBondContact OD1-CA 3.42Å; D174-N188 VanDerWaalsContact CG-N 3.29Å; D174-N188 PolarHBondContact OD1-N 2.96Å; D174-N188 PolarHBondContact OD1-ND2 3.08Å; D174-N188 WeakPolarHBondContact OD2-CB 3.36Å; D174-N188 PolarHBondContact OD2-N 3.41Å; D174-F189 PolarHBondContact OD2-N 3.39Å; D174-I193 HydrophobicContact CB-CD1 3.54Å; D174-I193 HydrophobicContact CB-CG1 4.26Å; D174-I193 WeakPolarHBondContact OD2-CD1 2.95Å |
| 175 | R | 93.5 | Very high | 92.3 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 173 | -73.1 | 179.1 | -69.7 | -170.1 | 1.3 | 111.6 | D168 L171 A172 R179 E196 I197 | D168-R175 IonicContact OD1-NH2 3.89Å; L171-R175 WeakPolarHBondContact O-CG 3.27Å; L171-R175 PolarHBondContact O-N 3.21Å; L171-R175 PolarHBondContact O-NE 2.89Å; A172-R175 PolarHBondContact O-N 2.92Å; R175-R179 WeakPolarHBondContact O-CG 3.34Å; R175-R179 PolarHBondContact O-N 3.04Å; R175-R179 VanDerWaalsContact O-N 3.12Å; R175-E196 IonicContact NH1-OE1 3.95Å; R175-I197 HydrophobicContact CG-CD1 4.28Å; R175-I197 HydrophobicContact CG-CG1 4.29Å |
| 176 | A | 93.5 | Very high | 92 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -46 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I148 L160 A172 Y173 Y178 R179 M180 | I148-A176 HydrophobicContact CD1-CB 3.95Å; I148-A176 HydrophobicContact CG2-CB 4.39Å; L160-A176 HydrophobicContact CD1-CB 3.6Å; L160-A176 HydrophobicContact CD2-CB 3.51Å; L160-A176 HydrophobicContact CG-CB 4.21Å; A172-A176 PolarHBondContact O-N 3.46Å; A172-A176 VanDerWaalsContact O-N 3.07Å; Y173-A176 PolarHBondContact O-N 3.18Å; A176-Y178 VanDerWaalsContact C-N 3.28Å; A176-Y178 PolarHBondContact O-N 3.12Å; A176-R179 PolarHBondContact O-N 3Å; A176-M180 VanDerWaalsContact O-CG 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.49Å; A176-M180 PolarHBondContact O-N 2.95Å; A176-M180 VanDerWaalsContact O-N 3.14Å |
| 177 | A | 92.8 | Very high | 92 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 5% | 0.05 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I148 Y173 D174 M180 R181 A185 L187 | I148-A177 HydrophobicContact CD1-CB 4.06Å; Y173-A177 HydrophobicContact CE1-CB 4.36Å; Y173-A177 VanDerWaalsContact O-CB 3.3Å; Y173-A177 WeakPolarHBondContact O-CB 3.43Å; Y173-A177 PolarHBondContact O-N 3.46Å; D174-A177 PolarHBondContact O-N 3.15Å; A177-M180 PolarHBondContact O-N 3.37Å; A177-R181 WeakPolarHBondContact O-CB 3.03Å; A177-R181 PolarHBondContact O-N 3.24Å; A177-A185 HydrophobicContact CB-CB 4.38Å; A177-A185 WeakPolarHBondContact O-CB 3.32Å; A177-L187 HydrophobicContact CB-CD2 3.93Å |
| 178 | Y | 92.1 | Very high | 91.9 | Very high | 76 Ų | 76 | 61 Ų | 61 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 174.6 | -170.5 | -85.4 | 0 | 0 | 0 | 112.4 | D174 A176 M180 G182 L187 I197 | D174-Y178 WeakPolarHBondContact O-CB 3.45Å; D174-Y178 PolarHBondContact O-N 3.22Å; A176-Y178 VanDerWaalsContact C-N 3.28Å; A176-Y178 PolarHBondContact O-N 3.12Å; Y178-M180 PolarHBondContact O-N 2.94Å; Y178-M180 VanDerWaalsContact O-N 3.14Å; Y178-G182 WeakPolarHBondContact CD2-O 3.42Å; Y178-G182 WeakPolarHBondContact O-CA 3.34Å; Y178-G182 PolarHBondContact O-N 3.32Å; Y178-L187 HydrophobicContact CD2-CD1 4.25Å; Y178-I197 HydrophobicContact CD1-CG2 3.27Å; Y178-I197 HydrophobicContact CD2-CD1 4.36Å; Y178-I197 HydrophobicContact CD2-CG2 4.15Å; Y178-I197 HydrophobicContact CE1-CG2 3.57Å; Y178-I197 HydrophobicContact CE2-CG2 4.39Å; Y178-I197 HydrophobicContact CG-CD1 4.02Å; Y178-I197 HydrophobicContact CG-CG2 3.58Å |
| 179 | R | 90.7 | Very high | 91.7 | Very high | 197 Ų | 197 | 59.3 Ų | 59.3 | 74% | 0.743 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.6 | -32 | 175.6 | -73 | 173.2 | 176.4 | 179.4 | -2.4 | 112.2 | R175 A176 | R175-R179 WeakPolarHBondContact O-CG 3.34Å; R175-R179 PolarHBondContact O-N 3.04Å; R175-R179 VanDerWaalsContact O-N 3.12Å; A176-R179 PolarHBondContact O-N 3Å |
| 180 | M | 88.5 | Confident | 91.2 | Very high | 89 Ų | 89 | 63.9 Ų | 63.9 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -89.3 | -41.8 | -174.9 | -72 | -158 | 66.8 | 0 | 0 | 115.5 | I148 D150 A176 A177 Y178 | I148-M180 HydrophobicContact CD1-CG 4.46Å; I148-M180 HydrophobicContact CD1-SD 3.73Å; I148-M180 HydrophobicContact CG1-SD 4.26Å; I148-M180 HydrophobicContact CG2-SD 4.49Å; D150-M180 HydrophobicContact CB-CE 3.68Å; D150-M180 WeakPolarHBondContact OD1-CE 3.1Å; D150-M180 WeakPolarHBondContact OD2-CE 3.47Å; A176-M180 VanDerWaalsContact O-CG 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.49Å; A176-M180 PolarHBondContact O-N 2.95Å; A176-M180 VanDerWaalsContact O-N 3.14Å; A177-M180 PolarHBondContact O-N 3.37Å; Y178-M180 PolarHBondContact O-N 2.94Å; Y178-M180 VanDerWaalsContact O-N 3.14Å |
| 181 | R | 90.1 | Very high | 90.3 | Very high | 160 Ų | 160 | 71.8 Ų | 71.8 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -106.8 | -9.1 | -176 | -157.4 | 175.8 | -148.9 | -167.7 | 11.1 | 112.9 | A177 R184 A185 | A177-R181 WeakPolarHBondContact O-CB 3.03Å; A177-R181 PolarHBondContact O-N 3.24Å; R181-R184 WeakPolarHBondContact CD-O 2.76Å; R181-R184 HydrophobicContact CG-CB 4.39Å; R181-A185 HydrophobicContact CB-CB 3.98Å |
| 182 | G | 88.9 | Confident | 89 | Confident | 27 Ų | 27 | 76.6 Ų | 76.6 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | 68.5 | -148.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y178 R184 A185 | Y178-G182 WeakPolarHBondContact CD2-O 3.42Å; Y178-G182 WeakPolarHBondContact O-CA 3.34Å; Y178-G182 PolarHBondContact O-N 3.32Å; G182-R184 PolarHBondContact O-N 3.41Å; G182-A185 VanDerWaalsContact O-CB 3.28Å; G182-A185 WeakPolarHBondContact O-CB 3.43Å; G182-A185 PolarHBondContact O-N 3.09Å |
| 183 | S | 88 | Confident | 87.4 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 73% | 0.734 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -59.2 | -14.5 | 177.2 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 184 | R | 87.3 | Confident | 85.7 | Confident | 203 Ų | 203 | 78.2 Ų | 78.2 | 77% | 0.766 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -90.9 | 1.3 | 177.9 | -59.9 | -179.5 | 67.7 | -175.9 | 2.1 | 113 | R181 G182 L186 | R181-R184 WeakPolarHBondContact CD-O 2.76Å; R181-R184 HydrophobicContact CG-CB 4.39Å; G182-R184 PolarHBondContact O-N 3.41Å; R184-L186 PolarHBondContact O-N 3.04Å |
| 185 | A | 90.2 | Very high | 84.1 | Confident | 14 Ų | 14 | 82.2 Ų | 82.2 | 12% | 0.116 | 42% | 0.418 | C | S | . | . | trans | -58.8 | 132.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A177 R181 G182 L187 | A177-A185 HydrophobicContact CB-CB 4.38Å; A177-A185 WeakPolarHBondContact O-CB 3.32Å; R181-A185 HydrophobicContact CB-CB 3.98Å; G182-A185 VanDerWaalsContact O-CB 3.28Å; G182-A185 WeakPolarHBondContact O-CB 3.43Å; G182-A185 PolarHBondContact O-N 3.09Å; A185-L187 HydrophobicContact CB-CD1 4.33Å; A185-L187 HydrophobicContact CB-CD2 3.66Å; A185-L187 HydrophobicContact CB-CG 4.01Å | ||
| 186 | L | 89.9 | Confident | 82.7 | Confident | 112 Ų | 112 | 82.1 Ų | 82.1 | 59% | 0.586 | 42% | 0.421 | S | S | * | . | trans | -78.3 | 132.4 | 164.6 | -66.2 | 174.7 | 0 | 0 | 0 | 106 | R134 R184 | R134-L186 PolarHBondContact NH1-O 3.22Å; R134-L186 PolarHBondContact NH2-O 3.31Å; R184-L186 PolarHBondContact O-N 3.04Å | ||
| 187 | L | 92.6 | Very high | 81.2 | Confident | 39 Ų | 39 | 82 Ų | 82 | 20% | 0.204 | 42% | 0.418 | C | S | . | . | trans | -130.5 | 154.1 | -172.4 | -57.1 | 168.5 | 0 | 0 | 0 | 109.7 | D174 A177 Y178 A185 I193 | D174-L187 HydrophobicContact CB-CB 4.42Å; D174-L187 HydrophobicContact CB-CD2 3.93Å; D174-L187 WeakPolarHBondContact O-CD2 3.45Å; D174-L187 VanDerWaalsContact OD1-CA 3.29Å; D174-L187 WeakPolarHBondContact OD1-CA 3.42Å; A177-L187 HydrophobicContact CB-CD2 3.93Å; Y178-L187 HydrophobicContact CD2-CD1 4.25Å; A185-L187 HydrophobicContact CB-CD1 4.33Å; A185-L187 HydrophobicContact CB-CD2 3.66Å; A185-L187 HydrophobicContact CB-CG 4.01Å; L187-I193 HydrophobicContact CB-CD1 3.38Å; L187-I193 HydrophobicContact CD1-CB 4.28Å; L187-I193 HydrophobicContact CD1-CD1 3.36Å; L187-I193 HydrophobicContact CD1-CG1 4.32Å; L187-I193 HydrophobicContact CD1-CG2 3.62Å; L187-I193 HydrophobicContact CD2-CD1 4.2Å; L187-I193 HydrophobicContact CG-CD1 3.77Å | ||
| 188 | N | 91.7 | Very high | 79.4 | Confident | 41 Ų | 41 | 84.3 Ų | 84.3 | 22% | 0.219 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -70.1 | -41.7 | 176 | -64.2 | -55.5 | 0 | 0 | 0 | 110.7 | Y133 R134 A170 D174 P190 | Y133-N188 HydrophobicContact CD1-CB 4.37Å; R134-N188 WeakPolarHBondContact CB-OD1 3.49Å; R134-N188 PolarHBondContact N-OD1 3.5Å; R134-N188 PolarHBondContact O-ND2 3.31Å; A170-N188 HydrophobicContact CB-CB 4.33Å; D174-N188 VanDerWaalsContact CG-N 3.29Å; D174-N188 PolarHBondContact OD1-N 2.96Å; D174-N188 PolarHBondContact OD1-ND2 3.08Å; D174-N188 WeakPolarHBondContact OD2-CB 3.36Å; D174-N188 PolarHBondContact OD2-N 3.41Å; N188-P190 VanDerWaalsContact O-CD 3.26Å; N188-P190 WeakPolarHBondContact O-CD 3.42Å |
| 189 | F | 89 | Confident | 77.7 | Confident | 28 Ų | 28 | 83.6 Ų | 83.6 | 12% | 0.123 | 45% | 0.447 | C | S | . | . | trans | -118.8 | 74 | -176.7 | -54.9 | -67.5 | 0 | 0 | 0 | 112.7 | Y133 E167 A170 L171 D174 L191 R192 I193 | Y133-F189 HydrophobicContact CD1-CE1 4.49Å; Y133-F189 HydrophobicContact CD1-CZ 4.02Å; Y133-F189 AromaticContact CE1-CE1 3.8Å; Y133-F189 HydrophobicContact CE1-CE1 3.8Å; Y133-F189 AromaticContact CE1-CZ 3.56Å; Y133-F189 HydrophobicContact CE1-CZ 3.56Å; Y133-F189 AromaticContact CZ-CZ 3.89Å; E167-F189 HydrophobicContact CB-CZ 4.36Å; E167-F189 HydrophobicContact CG-CZ 4.43Å; A170-F189 HydrophobicContact CB-CD2 4.43Å; A170-F189 HydrophobicContact CB-CE2 3.56Å; A170-F189 HydrophobicContact CB-CZ 4.19Å; L171-F189 HydrophobicContact CD2-CB 4.48Å; L171-F189 HydrophobicContact CD2-CD2 3.67Å; L171-F189 HydrophobicContact CD2-CE2 4.31Å; L171-F189 HydrophobicContact CD2-CG 4.42Å; L171-F189 HydrophobicContact CG-CD2 4.01Å; L171-F189 HydrophobicContact CG-CE2 4.15Å; D174-F189 PolarHBondContact OD2-N 3.39Å; F189-L191 PolarHBondContact O-N 3.07Å; F189-R192 HydrophobicContact CB-CB 3.99Å; F189-R192 HydrophobicContact CB-CG 4.07Å; F189-R192 PolarHBondContact O-N 2.87Å; F189-R192 VanDerWaalsContact O-N 3.09Å; F189-I193 WeakPolarHBondContact O-CD1 3.43Å; F189-I193 WeakPolarHBondContact O-CG1 2.99Å; F189-I193 PolarHBondContact O-N 3.26Å | ||
| 190 | P | 83.7 | Confident | 76 | Confident | 97 Ų | 97 | 76 Ų | 76 | 63% | 0.63 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56.8 | -27.2 | -178.4 | 23.1 | -33.6 | 0 | 0 | 0 | 113.5 | N188 | N188-P190 VanDerWaalsContact O-CD 3.26Å; N188-P190 WeakPolarHBondContact O-CD 3.42Å |
| 191 | L | 75.3 | Confident | 74.3 | Confident | 165 Ų | 165 | 74.9 Ų | 74.9 | 86% | 0.864 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -79.9 | -27.6 | -178.9 | -58.5 | 177.8 | 0 | 0 | 0 | 114.3 | F189 | F189-L191 PolarHBondContact O-N 3.07Å |
| 192 | R | 66.7 | Low | 72.4 | Confident | 125 Ų | 125 | 70.6 Ų | 70.6 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -87.7 | -23.7 | -175.2 | -64.3 | -178 | 177.1 | 179.5 | -3 | 112.7 | L171 F189 S195 E196 | L171-R192 HydrophobicContact CD2-CB 4.37Å; F189-R192 HydrophobicContact CB-CB 3.99Å; F189-R192 HydrophobicContact CB-CG 4.07Å; F189-R192 PolarHBondContact O-N 2.87Å; F189-R192 VanDerWaalsContact O-N 3.09Å; R192-S195 PolarHBondContact O-OG 3.41Å; R192-S195 VanDerWaalsContact O-OG 3.14Å; R192-E196 PolarHBondContact O-N 3.35Å |
| 193 | I | 60.8 | Low | 70.5 | Confident | 11 Ų | 11 | 71.5 Ų | 71.5 | 6% | 0.056 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -81.5 | -32.2 | -169.1 | -75.6 | 162.5 | 0 | 0 | 0 | 113.1 | D174 L187 F189 S195 E196 I197 | D174-I193 HydrophobicContact CB-CD1 3.54Å; D174-I193 HydrophobicContact CB-CG1 4.26Å; D174-I193 WeakPolarHBondContact OD2-CD1 2.95Å; L187-I193 HydrophobicContact CB-CD1 3.38Å; L187-I193 HydrophobicContact CD1-CB 4.28Å; L187-I193 HydrophobicContact CD1-CD1 3.36Å; L187-I193 HydrophobicContact CD1-CG1 4.32Å; L187-I193 HydrophobicContact CD1-CG2 3.62Å; L187-I193 HydrophobicContact CD2-CD1 4.2Å; L187-I193 HydrophobicContact CG-CD1 3.77Å; F189-I193 WeakPolarHBondContact O-CD1 3.43Å; F189-I193 WeakPolarHBondContact O-CG1 2.99Å; F189-I193 PolarHBondContact O-N 3.26Å; I193-S195 PolarHBondContact O-N 3.15Å; I193-S195 VanDerWaalsContact O-N 3.16Å; I193-E196 PolarHBondContact O-N 3.42Å; I193-I197 HydrophobicContact CB-CD1 3.95Å; I193-I197 HydrophobicContact CB-CG1 4.01Å; I193-I197 HydrophobicContact CD1-CD1 4.32Å; I193-I197 HydrophobicContact CG1-CD1 3.76Å; I193-I197 HydrophobicContact CG1-CG1 4.07Å; I193-I197 HydrophobicContact CG2-CB 3.86Å; I193-I197 HydrophobicContact CG2-CD1 3.27Å; I193-I197 HydrophobicContact CG2-CG1 3.52Å; I193-I197 WeakPolarHBondContact O-CA 3.3Å; I193-I197 VanDerWaalsContact O-CB 3.28Å; I193-I197 WeakPolarHBondContact O-CB 3.35Å; I193-I197 PolarHBondContact O-N 2.93Å |
| 194 | G | 59.5 | Low | 68.8 | Low | 59 Ų | 59 | 73.5 Ų | 73.5 | 61% | 0.608 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58 | -30.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A198 | G194-A198 WeakPolarHBondContact O-CB 3.43Å |
| 195 | S | 60.9 | Low | 66.9 | Low | 85 Ų | 85 | 72.4 Ų | 72.4 | 59% | 0.594 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -92 | -47.4 | 175.1 | 50 | 0 | 0 | 0 | 0 | 112.6 | R192 I193 A199 | R192-S195 PolarHBondContact O-OG 3.41Å; R192-S195 VanDerWaalsContact O-OG 3.14Å; I193-S195 PolarHBondContact O-N 3.15Å; I193-S195 VanDerWaalsContact O-N 3.16Å; S195-A199 VanDerWaalsContact O-CB 3.24Å; S195-A199 WeakPolarHBondContact O-CB 3.45Å; S195-A199 PolarHBondContact O-N 3.41Å |
| 196 | E | 63.8 | Low | 64.5 | Low | 73 Ų | 73 | 82.7 Ų | 82.7 | 34% | 0.341 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.9 | -37.7 | -172.2 | -165.9 | -175 | 157.9 | 0 | 0 | 112.7 | R175 R192 I193 A199 A200 | R175-E196 IonicContact NH1-OE1 3.95Å; R192-E196 PolarHBondContact O-N 3.35Å; I193-E196 PolarHBondContact O-N 3.42Å; E196-A199 CarbonylContact O-C 3.47Å; E196-A199 PolarHBondContact O-N 3.45Å; E196-A200 VanDerWaalsContact O-CB 3.26Å; E196-A200 WeakPolarHBondContact O-CB 3.24Å; E196-A200 PolarHBondContact O-N 3.35Å |
| 197 | I | 62 | Low | 62.3 | Low | 9 Ų | 9 | 82.9 Ų | 82.9 | 5% | 0.046 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -80.5 | -29 | 177.6 | -54.2 | -164.8 | 0 | 0 | 0 | 111.1 | R175 Y178 I193 A199 A200 A201 | R175-I197 HydrophobicContact CG-CD1 4.28Å; R175-I197 HydrophobicContact CG-CG1 4.29Å; Y178-I197 HydrophobicContact CD1-CG2 3.27Å; Y178-I197 HydrophobicContact CD2-CD1 4.36Å; Y178-I197 HydrophobicContact CD2-CG2 4.15Å; Y178-I197 HydrophobicContact CE1-CG2 3.57Å; Y178-I197 HydrophobicContact CE2-CG2 4.39Å; Y178-I197 HydrophobicContact CG-CD1 4.02Å; Y178-I197 HydrophobicContact CG-CG2 3.58Å; I193-I197 HydrophobicContact CB-CD1 3.95Å; I193-I197 HydrophobicContact CB-CG1 4.01Å; I193-I197 HydrophobicContact CD1-CD1 4.32Å; I193-I197 HydrophobicContact CG1-CD1 3.76Å; I193-I197 HydrophobicContact CG1-CG1 4.07Å; I193-I197 HydrophobicContact CG2-CB 3.86Å; I193-I197 HydrophobicContact CG2-CD1 3.27Å; I193-I197 HydrophobicContact CG2-CG1 3.52Å; I193-I197 WeakPolarHBondContact O-CA 3.3Å; I193-I197 VanDerWaalsContact O-CB 3.28Å; I193-I197 WeakPolarHBondContact O-CB 3.35Å; I193-I197 PolarHBondContact O-N 2.93Å; I197-A199 VanDerWaalsContact C-N 3.33Å; I197-A200 PolarHBondContact O-N 2.82Å; I197-A201 WeakPolarHBondContact O-CB 3.45Å; I197-A201 PolarHBondContact O-N 3.01Å |
| 198 | A | 55.4 | Low | 59.9 | Low | 56 Ų | 56 | 88.7 Ų | 88.7 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | G194 A202 | G194-A198 WeakPolarHBondContact O-CB 3.43Å; A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.11Å |
| 199 | A | 56.3 | Low | 57.4 | Low | 61 Ų | 61 | 91.3 Ų | 91.3 | 50% | 0.504 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S195 E196 I197 G203 | S195-A199 VanDerWaalsContact O-CB 3.24Å; S195-A199 WeakPolarHBondContact O-CB 3.45Å; S195-A199 PolarHBondContact O-N 3.41Å; E196-A199 CarbonylContact O-C 3.47Å; E196-A199 PolarHBondContact O-N 3.45Å; I197-A199 VanDerWaalsContact C-N 3.33Å; A199-G203 VanDerWaalsContact O-CA 3.3Å; A199-G203 WeakPolarHBondContact O-CA 3.47Å; A199-G203 PolarHBondContact O-N 3.47Å |
| 200 | A | 56 | Low | 55.5 | Low | 37 Ų | 37 | 98.1 Ų | 98.1 | 31% | 0.306 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.9 | -30.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E196 I197 | E196-A200 VanDerWaalsContact O-CB 3.26Å; E196-A200 WeakPolarHBondContact O-CB 3.24Å; E196-A200 PolarHBondContact O-N 3.35Å; I197-A200 PolarHBondContact O-N 2.82Å |
| 201 | A | 52 | Low | 53.9 | Low | 65 Ų | 65 | 99.2 Ų | 99.2 | 54% | 0.537 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -82.1 | -26.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I197 | I197-A201 WeakPolarHBondContact O-CB 3.45Å; I197-A201 PolarHBondContact O-N 3.01Å |
| 202 | A | 50.1 | Low | 52.4 | Low | 70 Ų | 70 | 100 Ų | 100 | 58% | 0.579 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -83.4 | -17.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A198 D204 | A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.11Å; A202-D204 VanDerWaalsContact C-N 3.33Å; A202-D204 PolarHBondContact O-N 3.37Å |
| 203 | G | 50.2 | Low | 51.4 | Low | 47 Ų | 47 | 100.2 Ų | 100.2 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -6.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A199 K205 | A199-G203 VanDerWaalsContact O-CA 3.3Å; A199-G203 WeakPolarHBondContact O-CA 3.47Å; A199-G203 PolarHBondContact O-N 3.47Å; G203-K205 PolarHBondContact O-N 3.4Å |
| 204 | D | 51.2 | Low | 50.6 | Low | 146 Ų | 146 | 104.1 Ų | 104.1 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 14.3 | 170.3 | -74.7 | -30.8 | 0 | 0 | 0 | 112.8 | A202 | A202-D204 VanDerWaalsContact C-N 3.33Å; A202-D204 PolarHBondContact O-N 3.37Å |
| 205 | K | 47.2 | Very low | 49.6 | Very low | 180 Ų | 180 | 107.2 Ų | 107.2 | 78% | 0.783 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -136.4 | 100 | 169.1 | -50.9 | -165.5 | -177.5 | -163.4 | 0 | 108.9 | G203 | G203-K205 PolarHBondContact O-N 3.4Š|
| 206 | R | 40.4 | Very low | 48.9 | Very low | 231 Ų | 231 | 108.3 Ų | 108.3 | 87% | 0.872 | 65% | 0.654 | S | S | * | * | trans | -4.1 | 134.7 | 168.8 | -65 | 176.6 | 167.6 | 174.3 | -4.3 | 116.9 | ||||
| 207 | P | 42.7 | Very low | 48 | Very low | 115 Ų | 115 | 109.3 Ų | 109.3 | 75% | 0.747 | 67% | 0.669 | S | S | * | * | -137.4 | 133.1 | 94.6 | 22 | -1.7 | 0 | 0 | 0 | 112.4 | |||||
| 208 | L | 43.1 | Very low | 46.9 | Very low | 161 Ų | 161 | 116 Ų | 116 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | 56.7 | 117.8 | 95 | -60.1 | 174.9 | 0 | 0 | 0 | 114.6 | |||||
| 209 | A | 38.7 | Very low | 46.4 | Very low | 96 Ų | 96 | 118.3 Ų | 118.3 | 79% | 0.793 | 72% | 0.718 | S | S | * | * | trans | 74.9 | 100 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119 | P211 | A209-P211 WeakPolarHBondContact O-CD 3.32Š| ||
| 210 | L | 49.6 | Very low | 45.6 | Very low | 171 Ų | 171 | 120.4 Ų | 120.4 | 90% | 0.895 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 122.4 | 152.4 | -76.1 | 150.2 | 0 | 0 | 0 | 109.2 | ||
| 211 | P | 49.1 | Very low | 45 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 127.3 | 159 | 31.3 | -26.6 | 0 | 0 | 0 | 109 | A209 | A209-P211 WeakPolarHBondContact O-CD 3.32Š|
| 212 | E | 45.4 | Very low | 44.7 | Very low | 180 Ų | 180 | 125.4 Ų | 125.4 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 151.1 | 177.2 | -60.1 | -147.4 | 132.5 | 0 | 0 | 112.5 | A214 | E212-A214 PolarHBondContact O-N 3.39Š|
| 213 | P | 45.2 | Very low | 44.5 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -75.7 | 89.8 | -174.1 | 31.1 | -34.2 | 0 | 0 | 0 | 111.3 | ||||
| 214 | A | 43.2 | Very low | 44.6 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -86.2 | 114.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E212 | E212-A214 PolarHBondContact O-N 3.39Š| ||
| 215 | T | 40.1 | Very low | 44.1 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -13.7 | 143.6 | 156 | 57.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 216 | S | 44.7 | Very low | 43.9 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 104.2 | 114 | 146.8 | 75.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 217 | S | 45.7 | Very low | 44.3 | Very low | 94 Ų | 94 | 118.6 Ų | 118.6 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | 56.6 | 115.2 | 134.4 | 58.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 218 | D | 39.5 | Very low | 44.9 | Very low | 150 Ų | 150 | 118.7 Ų | 118.7 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | 63.6 | 133.6 | 123.1 | -58.3 | -35.8 | 0 | 0 | 0 | 122.2 | |||||
| 219 | S | 43.1 | Very low | 45.3 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 100.7 | 97.1 | 144.5 | -48.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 220 | S | 40 | Very low | 46 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | 50.3 | 124 | 121.8 | 65.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 221 | S | 44.3 | Very low | 46.6 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 101.6 | 123.5 | 127.2 | 76.3 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 222 | S | 46.1 | Very low | 47.2 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | 84.8 | 104.1 | 134.7 | 71.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 223 | S | 45.8 | Very low | 47.4 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | 76.7 | 145.6 | 118.1 | 71 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 224 | T | 50.7 | Low | 47.3 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | 80.4 | 130.7 | 164.8 | 76.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 225 | G | 42 | Very low | 47.7 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | cis | 146.1 | 128.4 | 9.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 226 | G | 42.9 | Very low | 48.1 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | 160 | 89.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 227 | S | 48.6 | Very low | 48.2 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -92.9 | 179.5 | 150.3 | -80.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 228 | P | 55 | Low | 48.2 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -137.4 | -164.8 | -26.9 | 29.3 | -5.4 | 0 | 0 | 0 | 112.5 | ||||
| 229 | K | 50.6 | Low | 48.8 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 128 | 97.5 | 130.1 | -158.3 | 165.4 | -174 | 168.9 | 0 | 119 | ||||
| 230 | R | 53.8 | Low | 49.4 | Very low | 209 Ų | 209 | 129.7 Ų | 129.7 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | 47.4 | 125.6 | 118.6 | -146.3 | 176.1 | 110.4 | -167.6 | 6.8 | 120.3 | |||||
| 231 | R | 63 | Low | 50.3 | Low | 218 Ų | 218 | 133.8 Ų | 133.8 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | trans | 151 | 152.6 | 139.1 | -84.5 | 156.8 | 159.6 | 169.2 | -4.8 | 110.1 | ||||
| 232 | K | 60.7 | Low | 50.4 | Low | 183 Ų | 183 | 133.1 Ų | 133.1 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | cis | 176.1 | 151.2 | -10.2 | 171.1 | 168.9 | 177.4 | 177.6 | 0 | 105.6 | ||||
| 233 | R | 49.8 | Very low | 50.5 | Low | 215 Ų | 215 | 137.3 Ų | 137.3 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | 81.8 | 128.4 | 165.4 | -124.2 | 173.8 | -175.3 | -79.2 | 2.2 | 114.8 | ||||
| 234 | G | 44.4 | Very low | 50.7 | Low | 61 Ų | 61 | 136.5 Ų | 136.5 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | cis | 120.9 | 109.3 | 2.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 235 | E | 50.3 | Low | 50.9 | Low | 170 Ų | 170 | 137.1 Ų | 137.1 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -178.3 | 111.9 | 150.2 | -144.3 | 138 | 137.2 | 0 | 0 | 107.4 | ||||
| 236 | A | 48.7 | Very low | 51.7 | Low | 95 Ų | 95 | 139.7 Ų | 139.7 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 69.2 | 142.1 | 98.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 237 | A | 47.8 | Very low | 53.1 | Low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | cis | -176.5 | 152 | -7.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 238 | A | 45.7 | Very low | 54.3 | Low | 106 Ų | 106 | 140.1 Ų | 140.1 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | 63.5 | 147.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 239 | A | 52.2 | Low | 55.1 | Low | 83 Ų | 83 | 140.5 Ų | 140.5 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | cis | -153.1 | 129.6 | 11.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 240 | N | 54.2 | Low | 55.8 | Low | 157 Ų | 157 | 137.5 Ų | 137.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | 30.5 | 104.4 | 92.1 | -59.7 | -16.5 | 0 | 0 | 0 | 113.7 | |||||
| 241 | M | 59.3 | Low | 55.5 | Low | 191 Ų | 191 | 136.6 Ų | 136.6 | 94% | 0.941 | 79% | 0.792 | S | S | * | * | 166.2 | 151.7 | 129.8 | -91 | -177.2 | -174.8 | 0 | 0 | 112.4 | |||||
| 242 | A | 46.4 | Very low | 55.1 | Low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | 75.7 | 84.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 243 | M | 47.9 | Very low | 54.8 | Low | 186 Ų | 186 | 130.4 Ų | 130.4 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | 40.4 | 126.6 | 70.4 | -73 | -157.8 | 84.6 | 0 | 0 | 114.7 | |||||
| 244 | A | 50.9 | Low | 55.4 | Low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 93.6 | 98.9 | 145.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 245 | L | 55.1 | Low | 56.5 | Low | 159 Ų | 159 | 134.5 Ų | 134.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | 167.8 | 97.5 | 105.4 | -107.5 | 66.4 | 0 | 0 | 0 | 109 | P247 | L245-P247 WeakPolarHBondContact O-CD 3.38Š| |||
| 246 | V | 58.8 | Low | 56.6 | Low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 117.4 | 155.2 | 167.6 | 0 | 0 | 0 | 0 | 106.2 | ||
| 247 | P | 72.7 | Confident | 57.3 | Low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 135.7 | 166.9 | 29.8 | -30.2 | 0 | 0 | 0 | 110.1 | L245 | L245-P247 WeakPolarHBondContact O-CD 3.38Š|
| 248 | P | 72.7 | Confident | 57.9 | Low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 149.9 | 174.3 | 31.2 | -33.7 | 0 | 0 | 0 | 111.2 | S250 | P248-S250 PolarHBondContact O-N 3.03Š|
| 249 | P | 73.2 | Confident | 58.8 | Low | 125 Ų | 125 | 142.4 Ų | 142.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117.7 | 172.9 | 28.1 | -31.7 | 0 | 0 | 0 | 110.5 | ||
| 250 | S | 64 | Low | 59.3 | Low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60 | 133 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | P248 L252 | P248-S250 PolarHBondContact O-N 3.03Å; S250-L252 PolarHBondContact O-N 3.31Å |
| 251 | Q | 48.5 | Very low | 59.3 | Low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 118.6 | 174.8 | -63.7 | -87.6 | -38.2 | 0 | 0 | 110.8 | ||
| 252 | L | 53.3 | Low | 58.9 | Low | 163 Ų | 163 | 140 Ų | 140 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -113.2 | 104 | 161.5 | -108.8 | 131 | 0 | 0 | 0 | 108.9 | S250 R254 | S250-L252 PolarHBondContact O-N 3.31Å; L252-R254 PolarHBondContact O-N 3.22Å | ||
| 253 | S | 55.4 | Low | 59.6 | Low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -41.8 | 120.2 | 169.4 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 254 | R | 62.2 | Low | 60.2 | Low | 240 Ų | 240 | 137.4 Ų | 137.4 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -108.4 | 125.7 | 155.2 | -80.3 | -174.6 | 163.6 | -141.8 | -1.9 | 108.6 | L252 | L252-R254 PolarHBondContact O-N 3.22Š| ||
| 255 | P | 66.6 | Low | 60.3 | Low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -71.3 | 137.1 | 175.9 | 28.4 | -32.2 | 0 | 0 | 0 | 110.8 | ||||
| 256 | A | 54.4 | Low | 60.6 | Low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -64.6 | 135.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 257 | Q | 61.9 | Low | 60.1 | Low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -121.4 | 119.5 | 163 | -80.5 | -85.9 | -40.5 | 0 | 0 | 108.2 | ||||
| 258 | P | 60.3 | Low | 59.4 | Low | 90 Ų | 90 | 143 Ų | 143 | 58% | 0.584 | 81% | 0.809 | S | S | * | * | trans | -91.4 | 121.6 | 179.5 | 33.3 | -27.4 | 0 | 0 | 0 | 109.8 | F260 | P258-F260 HydrophobicContact CB-CD2 4.44Å; P258-F260 HydrophobicContact CB-CE2 4.21Å; P258-F260 HydrophobicContact CG-CD2 4.46Å; P258-F260 HydrophobicContact CG-CE2 4.01Å | ||
| 259 | W | 64.4 | Low | 58.8 | Low | 259 Ų | 259 | 142.9 Ų | 142.9 | 98% | 0.981 | 82% | 0.816 | S | S | * | * | trans | -98.3 | 109.6 | 167.5 | -156.8 | -74.4 | 0 | 0 | 0 | 109.9 | ||||
| 260 | F | 62.5 | Low | 58.1 | Low | 166 Ų | 166 | 144.9 Ų | 144.9 | 73% | 0.728 | 82% | 0.817 | S | S | * | * | trans | -67 | 172 | -178.2 | -87.9 | -88.1 | 0 | 0 | 0 | 114.1 | P258 | P258-F260 HydrophobicContact CB-CD2 4.44Å; P258-F260 HydrophobicContact CB-CE2 4.21Å; P258-F260 HydrophobicContact CG-CD2 4.46Å; P258-F260 HydrophobicContact CG-CE2 4.01Å | ||
| 261 | P | 56 | Low | 58.4 | Low | 111 Ų | 111 | 145.1 Ų | 145.1 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | -97.7 | 164.8 | -153.4 | 38.6 | -35.8 | 0 | 0 | 0 | 115.8 | ||||
| 262 | A | 49.5 | Very low | 59.4 | Low | 104 Ų | 104 | 140.5 Ų | 140.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 23 | 121.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 263 | A | 62.6 | Low | 59.6 | Low | 99 Ų | 99 | 143.2 Ų | 143.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -118.5 | 154 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 264 | P | 59.8 | Low | 59.9 | Low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -101.5 | 161 | -153.1 | 23.7 | -6.4 | 0 | 0 | 0 | 115.1 | ||||
| 265 | V | 53.2 | Low | 59.9 | Low | 134 Ų | 134 | 138.5 Ų | 138.5 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -62.9 | 129.9 | 170.3 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 266 | E | 61.5 | Low | 59.6 | Low | 194 Ų | 194 | 140.1 Ų | 140.1 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -132.9 | 122.8 | 162.3 | -165.2 | 159.6 | 135.9 | 0 | 0 | 111 | ||||
| 267 | Q | 47.8 | Very low | 60 | Low | 180 Ų | 180 | 142.1 Ų | 142.1 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | -86.1 | 133.8 | 178.9 | -67 | 167.6 | -55 | 0 | 0 | 110 | ||||
| 268 | A | 58.7 | Low | 59.9 | Low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -148.9 | 99.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 269 | A | 60 | Low | 59.9 | Low | 102 Ų | 102 | 146 Ų | 146 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | 91.4 | 97.7 | 92.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 270 | M | 58.9 | Low | 59.7 | Low | 168 Ų | 168 | 140.4 Ų | 140.4 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -64.4 | 173.5 | 161.2 | -127.2 | -162.4 | 176.1 | 0 | 0 | 110.4 | ||||
| 271 | P | 69.7 | Low | 59.6 | Low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -158.4 | -154.9 | 60.1 | 50.4 | -26.8 | 0 | 0 | 0 | 114 | |||||
| 272 | P | 69.3 | Low | 59.8 | Low | 93 Ų | 93 | 140.6 Ų | 140.6 | 60% | 0.604 | 80% | 0.801 | S | S | * | * | -130.1 | -169.7 | -121.6 | 31.7 | -5 | 0 | 0 | 0 | 115.3 | |||||
| 273 | R | 56.6 | Low | 60.4 | Low | 220 Ų | 220 | 142.7 Ų | 142.7 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | 74.9 | 147.6 | 164.8 | -68.4 | -178.1 | 156.8 | 143.5 | -4.2 | 115.1 | ||||
| 274 | V | 63.2 | Low | 60.2 | Low | 113 Ų | 113 | 145.4 Ų | 145.4 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | cis | -159.7 | 131.1 | 32.9 | -129.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 275 | E | 61.2 | Low | 60.3 | Low | 137 Ų | 137 | 146.7 Ų | 146.7 | 64% | 0.64 | 79% | 0.794 | S | S | * | * | 59.7 | 119.1 | 103.8 | -70.4 | -168.5 | -154.6 | 0 | 0 | 115.8 | |||||
| 276 | Q | 59.4 | Low | 60.8 | Low | 155 Ų | 155 | 147.6 Ų | 147.6 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | 108.9 | 145.9 | 120.8 | -88.3 | 177.6 | 39 | 0 | 0 | 109.6 | |||||
| 277 | L | 64.2 | Low | 60.7 | Low | 136 Ų | 136 | 144 Ų | 144 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | cis | 176.7 | 140.4 | -1.1 | -175.9 | 69.9 | 0 | 0 | 0 | 103.4 | ||||
| 278 | V | 60.2 | Low | 61.8 | Low | 122 Ų | 122 | 141 Ų | 141 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | 53.4 | 119.3 | 143.2 | 176.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 279 | I | 60 | Low | 62.1 | Low | 233 Ų | 233 | 145.1 Ų | 145.1 | 100% | 1.195 | 78% | 0.778 | S | S | * | * | -155.6 | 0 | 67.5 | -68 | 170.2 | 0 | 0 | 0 | 108 |
Retrieved 279 of 279 residues in 190.5 ms
(Link to these results)