| 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 | 56.3 | Low | 63.2 | Low | 234 Ų | 234 | 155.7 Ų | 155.7 | 100% | 1.153 | 85% | 0.851 | S | S | * | * | 0 | 113.3 | 0 | -72.4 | 174.5 | 177.6 | 0 | 0 | 106.5 | |||||
| 2 | N | 50.4 | Low | 63.4 | Low | 171 Ų | 171 | 154.6 Ų | 154.6 | 91% | 0.914 | 85% | 0.852 | S | S | * | * | trans | -81.9 | 131.5 | -179.3 | -63 | -30.4 | 0 | 0 | 0 | 108.5 | ||||
| 3 | I | 64.5 | Low | 62.9 | Low | 155 Ų | 155 | 149.5 Ų | 149.5 | 80% | 0.795 | 84% | 0.842 | S | S | * | * | trans | -127.5 | 102.2 | 174.6 | -41.4 | 168.1 | 0 | 0 | 0 | 105.7 | V5 | I3-V5 HydrophobicContact CG2-CG2 4.42Š| ||
| 4 | S | 53.6 | Low | 62.9 | Low | 125 Ų | 125 | 145.6 Ų | 145.6 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -108.3 | 115.4 | 164.7 | -102.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 5 | V | 65.7 | Low | 63.1 | Low | 121 Ų | 121 | 143.5 Ų | 143.5 | 73% | 0.733 | 83% | 0.832 | S | S | * | * | trans | -157.5 | 91.1 | 161.5 | -151 | 0 | 0 | 0 | 0 | 101.8 | I3 | I3-V5 HydrophobicContact CG2-CG2 4.42Š| ||
| 6 | D | 60.8 | Low | 62.5 | Low | 160 Ų | 160 | 140.6 Ų | 140.6 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | 30.6 | 139.1 | 93.9 | -103.3 | -43.3 | 0 | 0 | 0 | 113.6 | |||||
| 7 | E | 63.6 | Low | 61.8 | Low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | 88.2 | 71 | 170.8 | -151.4 | 170.2 | -173.7 | 0 | 0 | 117.4 | ||||
| 8 | I | 64.3 | Low | 61.3 | Low | 169 Ų | 169 | 142.3 Ų | 142.3 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | -134 | 118.1 | 140 | -53.8 | -179.8 | 0 | 0 | 0 | 108.9 | ||||
| 9 | P | 72.2 | Confident | 60.9 | Low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 146.7 | -174.7 | 31 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 10 | M | 69.3 | Low | 60.5 | Low | 169 Ų | 169 | 140.8 Ų | 140.8 | 83% | 0.833 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 141.5 | 171.3 | -77.3 | -161.9 | 54.4 | 0 | 0 | 111.8 | V12 | M10-V12 PolarHBondContact O-N 3.47Š|
| 11 | P | 74.3 | Confident | 60.4 | Low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 126.5 | 171.2 | 27.4 | -31.6 | 0 | 0 | 0 | 110.9 | ||
| 12 | V | 65.2 | Low | 60 | Low | 142 Ų | 142 | 135.5 Ų | 135.5 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 147.3 | 171 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | M10 | M10-V12 PolarHBondContact O-N 3.47Š|
| 13 | A | 57.8 | Low | 59.8 | Low | 88 Ų | 88 | 130 Ų | 130 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -39.6 | 143.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 14 | A | 62.7 | Low | 59 | Low | 96 Ų | 96 | 127.7 Ų | 127.7 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | -125.3 | 107.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A16 | A14-A16 PolarHBondContact O-N 2.76Š| ||
| 15 | P | 65.1 | Low | 58.7 | Low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -84.6 | 92.1 | 155.1 | 31 | -26.9 | 0 | 0 | 0 | 107.7 | S17 | P15-S17 PolarHBondContact O-N 3.5Š| ||
| 16 | A | 54.7 | Low | 58 | Low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -63.8 | 109.3 | 168 | 0 | 0 | 0 | 0 | 0 | 108.3 | A14 | A14-A16 PolarHBondContact O-N 2.76Š| ||
| 17 | S | 50 | Low | 57.6 | Low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -69.3 | 126.5 | 173.8 | -57.2 | 0 | 0 | 0 | 0 | 108.6 | P15 | P15-S17 PolarHBondContact O-N 3.5Š| ||
| 18 | F | 53.6 | Low | 56.6 | Low | 210 Ų | 210 | 123 Ų | 123 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -133.4 | 99.6 | 155.8 | -121 | -88.5 | 0 | 0 | 0 | 108.6 | ||||
| 19 | S | 53.6 | Low | 55.8 | Low | 101 Ų | 101 | 119.6 Ų | 119.6 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -65.8 | 141.4 | 173.9 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 20 | L | 52.4 | Low | 54.4 | Low | 153 Ų | 153 | 121.2 Ų | 121.2 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | trans | -60.8 | 145.2 | 177 | -64.8 | 100.4 | 0 | 0 | 0 | 112.5 | ||||
| 21 | P | 57.9 | Low | 53.1 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -90.5 | 92.7 | 146.9 | 31.5 | -23 | 0 | 0 | 0 | 109.1 | G23 | P21-G23 PolarHBondContact O-N 2.76Š| ||
| 22 | T | 48.4 | Very low | 51.9 | Low | 139 Ų | 139 | 119.9 Ų | 119.9 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | -66.3 | 102.4 | 149.5 | 5.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 23 | G | 45.3 | Very low | 51.2 | Low | 57 Ų | 57 | 117.9 Ų | 117.9 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | trans | 170.2 | 98 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | P21 | P21-G23 PolarHBondContact O-N 2.76Š| ||
| 24 | S | 49 | Very low | 51 | Low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 74.6 | 123.4 | 146.7 | 78 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 25 | N | 47.6 | Very low | 50.8 | Low | 149 Ų | 149 | 122.6 Ų | 122.6 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 74.3 | 73 | 155.1 | -52.1 | -32.7 | 0 | 0 | 0 | 116.6 | ||||
| 26 | A | 49.9 | Very low | 50.5 | Low | 92 Ų | 92 | 121.5 Ų | 121.5 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -54.9 | 130 | 143.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | N28 | A26-N28 PolarHBondContact O-N 2.85Š| ||
| 27 | P | 53.6 | Low | 50.8 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -59.5 | 111.5 | 170.8 | 24.9 | -30.5 | 0 | 0 | 0 | 106.2 | C29 | P27-C29 PolarHBondContact O-N 3.38Š| ||
| 28 | N | 41.2 | Very low | 51.4 | Low | 129 Ų | 129 | 118.1 Ų | 118.1 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | trans | -60.4 | 91.9 | 167.4 | -168.6 | 8.6 | 0 | 0 | 0 | 106.4 | A26 D30 | A26-N28 PolarHBondContact O-N 2.85Å; N28-D30 PolarHBondContact O-N 3.01Å; N28-D30 VanDerWaalsContact OD1-CB 3.26Å; N28-D30 WeakPolarHBondContact OD1-CB 3.43Å; N28-D30 PolarHBondContact OD1-N 3.09Å; N28-D30 PolarHBondContact OD1-OD2 3Å; N28-D30 VanDerWaalsContact OD1-OD2 3.13Å | ||
| 29 | C | 47.1 | Very low | 52.2 | Low | 98 Ų | 98 | 112.7 Ų | 112.7 | 66% | 0.662 | 69% | 0.69 | S | S | * | * | trans | -86.1 | 30.6 | 172.1 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | P27 G31 | P27-C29 PolarHBondContact O-N 3.38Å; C29-G31 PolarHBondContact O-N 3.5Å | ||
| 30 | D | 43.7 | Very low | 53.3 | Low | 147 Ų | 147 | 110.5 Ų | 110.5 | 79% | 0.786 | 68% | 0.675 | S | S | * | * | trans | -75.9 | 76.5 | 159.4 | -72.4 | -30.3 | 0 | 0 | 0 | 108.6 | N28 | N28-D30 PolarHBondContact O-N 3.01Å; N28-D30 VanDerWaalsContact OD1-CB 3.26Å; N28-D30 WeakPolarHBondContact OD1-CB 3.43Å; N28-D30 PolarHBondContact OD1-N 3.09Å; N28-D30 PolarHBondContact OD1-OD2 3Å; N28-D30 VanDerWaalsContact OD1-OD2 3.13Å | ||
| 31 | G | 43 | Very low | 54.9 | Low | 62 Ų | 62 | 108.7 Ų | 108.7 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | trans | -172.8 | 44.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C29 S33 | C29-G31 PolarHBondContact O-N 3.5Å; G31-S33 PolarHBondContact O-N 2.84Å | ||
| 32 | F | 48.6 | Very low | 56 | Low | 199 Ų | 199 | 105.1 Ų | 105.1 | 87% | 0.873 | 65% | 0.651 | S | S | * | * | trans | -67.8 | 80.1 | 162.8 | -77.5 | -78.6 | 0 | 0 | 0 | 108.4 | T34 | F32-T34 PolarHBondContact O-N 2.83Š| ||
| 33 | S | 50.2 | Low | 57.4 | Low | 100 Ų | 100 | 99.4 Ų | 99.4 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | trans | -55 | 121.7 | 160.9 | -156.4 | 0 | 0 | 0 | 0 | 106.1 | G31 H35 | G31-S33 PolarHBondContact O-N 2.84Å; S33-H35 PolarHBondContact O-N 2.98Å | ||
| 34 | T | 54.3 | Low | 59.2 | Low | 147 Ų | 147 | 103.3 Ų | 103.3 | 90% | 0.902 | 61% | 0.611 | S | S | * | * | trans | -68.8 | 34.2 | 176.5 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | F32 | F32-T34 PolarHBondContact O-N 2.83Š| ||
| 35 | H | 57.2 | Low | 61.1 | Low | 136 Ų | 136 | 104 Ų | 104 | 63% | 0.63 | 60% | 0.601 | S | S | * | * | trans | -68.6 | 137.7 | 176.4 | -161.4 | -77.9 | 0 | 0 | 0 | 108.3 | S33 V37 | S33-H35 PolarHBondContact O-N 2.98Å; H35-V37 PolarHBondContact O-N 3.23Å | ||
| 36 | D | 58.8 | Low | 62.7 | Low | 91 Ų | 91 | 97.6 Ų | 97.6 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | trans | -46.3 | 106.6 | -173.7 | -158.6 | -20.1 | 0 | 0 | 0 | 111.3 | S38 D39 | D36-S38 PolarHBondContact O-N 2.67Å; D36-S38 VanDerWaalsContact O-N 3.1Å; D36-S38 WeakPolarHBondContact OD1-CB 3.07Å; D36-S38 PolarHBondContact OD1-N 2.97Å; D36-S38 PolarHBondContact OD1-OG 2.93Å; D36-D39 PolarHBondContact O-N 3Å; D36-D39 VanDerWaalsContact O-N 3.12Å | ||
| 37 | V | 61.5 | Low | 64.2 | Low | 69 Ų | 69 | 96.6 Ų | 96.6 | 42% | 0.418 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -60.4 | -22.4 | -178.5 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | H35 D39 S40 I129 | H35-V37 PolarHBondContact O-N 3.23Å; V37-D39 PolarHBondContact O-N 3.21Å; V37-S40 PolarHBondContact O-N 2.85Å; V37-I129 HydrophobicContact CG1-CD1 3.28Å |
| 38 | S | 63.4 | Low | 65.6 | Low | 59 Ų | 59 | 97.4 Ų | 97.4 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -64.3 | -22.7 | 178.5 | -41.5 | 0 | 0 | 0 | 0 | 113.5 | D36 | D36-S38 PolarHBondContact O-N 2.67Å; D36-S38 VanDerWaalsContact O-N 3.1Å; D36-S38 WeakPolarHBondContact OD1-CB 3.07Å; D36-S38 PolarHBondContact OD1-N 2.97Å; D36-S38 PolarHBondContact OD1-OG 2.93Å |
| 39 | D | 70 | Confident | 67.3 | Low | 95 Ų | 95 | 92.2 Ų | 92.2 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -102.2 | -5.8 | -176.3 | -81.3 | -11.8 | 0 | 0 | 0 | 114.6 | D36 V37 V41 R44 | D36-D39 PolarHBondContact O-N 3Å; D36-D39 VanDerWaalsContact O-N 3.12Å; V37-D39 PolarHBondContact O-N 3.21Å; D39-V41 PolarHBondContact O-N 3.14Å; D39-R44 PolarHBondContact O-NH2 3.47Å; D39-R44 VanDerWaalsContact O-NH2 3.13Å |
| 40 | S | 77.3 | Confident | 68.6 | Low | 55 Ų | 55 | 89.5 Ų | 89.5 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | trans | -59.7 | 137.3 | -178.6 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | V37 A42 W43 R44 | V37-S40 PolarHBondContact O-N 2.85Å; S40-A42 PolarHBondContact O-N 2.91Å; S40-A42 PolarHBondContact OG-N 3.12Å; S40-W43 WeakPolarHBondContact O-CB 3.46Å; S40-W43 PolarHBondContact O-N 2.78Å; S40-R44 PolarHBondContact O-N 2.84Å; S40-R44 VanDerWaalsContact O-N 3.09Å | ||
| 41 | V | 85 | Confident | 70.2 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 70% | 0.697 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.3 | -35.7 | 174 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | D39 W43 R44 K45 | D39-V41 PolarHBondContact O-N 3.14Å; V41-W43 VanDerWaalsContact C-N 3.34Å; V41-W43 PolarHBondContact O-N 2.87Å; V41-R44 PolarHBondContact O-N 3.04Å; V41-K45 WeakPolarHBondContact O-CB 3.28Å; V41-K45 PolarHBondContact O-N 3.2Å |
| 42 | A | 80.4 | Confident | 71.7 | Confident | 51 Ų | 51 | 89.4 Ų | 89.4 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S40 K45 A46 | S40-A42 PolarHBondContact O-N 2.91Å; S40-A42 PolarHBondContact OG-N 3.12Å; A42-K45 PolarHBondContact O-N 3.25Å; A42-A46 WeakPolarHBondContact O-CB 3.21Å; A42-A46 PolarHBondContact O-N 3.45Å |
| 43 | W | 77.5 | Confident | 72.4 | Confident | 19 Ų | 19 | 81.9 Ų | 81.9 | 7% | 0.072 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 177.6 | -179.6 | -110.8 | 0 | 0 | 0 | 111.7 | S40 V41 K45 A46 Q47 N117 I129 | S40-W43 WeakPolarHBondContact O-CB 3.46Å; S40-W43 PolarHBondContact O-N 2.78Å; V41-W43 VanDerWaalsContact C-N 3.34Å; V41-W43 PolarHBondContact O-N 2.87Å; W43-K45 PolarHBondContact O-N 2.91Å; W43-A46 PolarHBondContact O-N 2.83Å; W43-Q47 HydrophobicContact CD2-CG 4.5Å; W43-Q47 HydrophobicContact CZ2-CG 4.25Å; W43-Q47 WeakPolarHBondContact O-CG 3.36Å; W43-Q47 PolarHBondContact O-N 3.27Å; W43-N117 WeakPolarHBondContact CZ2-OD1 3.49Å; W43-I129 HydrophobicContact CE3-CG1 4.46Å |
| 44 | R | 84.9 | Confident | 73 | Confident | 139 Ų | 139 | 79.2 Ų | 79.2 | 53% | 0.525 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 174.2 | -83 | -173.2 | -93.6 | -170 | -10.2 | 112.2 | D39 S40 V41 A46 Q47 E48 | D39-R44 PolarHBondContact O-NH2 3.47Å; D39-R44 VanDerWaalsContact O-NH2 3.13Å; S40-R44 PolarHBondContact O-N 2.84Å; S40-R44 VanDerWaalsContact O-N 3.09Å; V41-R44 PolarHBondContact O-N 3.04Å; R44-A46 VanDerWaalsContact C-N 3.34Å; R44-A46 PolarHBondContact O-N 3.23Å; R44-Q47 PolarHBondContact O-N 3.28Å; R44-E48 PolarHBondContact O-N 3.41Å |
| 45 | K | 87.8 | Confident | 73.5 | Confident | 121 Ų | 121 | 77.6 Ų | 77.6 | 53% | 0.526 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177 | -165.1 | -172.3 | -179.7 | -145.4 | 0 | 111.9 | V41 A42 W43 Q47 E48 A49 E141 | V41-K45 WeakPolarHBondContact O-CB 3.28Å; V41-K45 PolarHBondContact O-N 3.2Å; A42-K45 PolarHBondContact O-N 3.25Å; W43-K45 PolarHBondContact O-N 2.91Å; K45-Q47 VanDerWaalsContact C-N 3.35Å; K45-Q47 PolarHBondContact O-N 3.35Å; K45-E48 PolarHBondContact O-N 3.22Å; K45-A49 PolarHBondContact O-N 2.68Å; K45-E141 IonicContact NZ-OE2 3.95Å |
| 46 | A | 80.6 | Confident | 73.6 | Confident | 14 Ų | 14 | 77.4 Ų | 77.4 | 12% | 0.116 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A42 W43 R44 L50 | A42-A46 WeakPolarHBondContact O-CB 3.21Å; A42-A46 PolarHBondContact O-N 3.45Å; W43-A46 PolarHBondContact O-N 2.83Å; R44-A46 VanDerWaalsContact C-N 3.34Å; R44-A46 PolarHBondContact O-N 3.23Å; A46-L50 VanDerWaalsContact O-CG 3.32Å; A46-L50 WeakPolarHBondContact O-CG 3.42Å; A46-L50 PolarHBondContact O-N 3.07Å; A46-L50 VanDerWaalsContact O-N 3.16Å |
| 47 | Q | 83.1 | Confident | 73.5 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 33% | 0.332 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.1 | -73.9 | -172.6 | -53 | 0 | 0 | 112 | W43 R44 K45 L50 I51 | W43-Q47 HydrophobicContact CD2-CG 4.5Å; W43-Q47 HydrophobicContact CZ2-CG 4.25Å; W43-Q47 WeakPolarHBondContact O-CG 3.36Å; W43-Q47 PolarHBondContact O-N 3.27Å; R44-Q47 PolarHBondContact O-N 3.28Å; K45-Q47 VanDerWaalsContact C-N 3.35Å; K45-Q47 PolarHBondContact O-N 3.35Å; Q47-L50 PolarHBondContact O-N 3.36Å; Q47-I51 WeakPolarHBondContact O-CD1 3.25Å; Q47-I51 VanDerWaalsContact O-CG1 3.29Å; Q47-I51 WeakPolarHBondContact O-CG1 3.38Å; Q47-I51 PolarHBondContact O-N 2.96Å |
| 48 | E | 82 | Confident | 73.2 | Confident | 128 Ų | 128 | 77.3 Ų | 77.3 | 60% | 0.598 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 177.6 | -73.6 | -179.3 | 172.3 | 0 | 0 | 112.8 | R44 K45 I51 Q52 | R44-E48 PolarHBondContact O-N 3.41Å; K45-E48 PolarHBondContact O-N 3.22Å; E48-I51 PolarHBondContact O-N 3.24Å; E48-Q52 PolarHBondContact O-N 3.4Å; E48-Q52 VanDerWaalsContact O-N 3.12Å |
| 49 | A | 77.9 | Confident | 72.6 | Confident | 20 Ų | 20 | 79.4 Ų | 79.4 | 17% | 0.165 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K45 I51 Q52 V53 | K45-A49 PolarHBondContact O-N 2.68Å; A49-I51 VanDerWaalsContact C-N 3.29Å; A49-I51 PolarHBondContact O-N 3.1Å; A49-Q52 PolarHBondContact O-N 3.24Å; A49-Q52 VanDerWaalsContact O-N 3.14Å; A49-V53 PolarHBondContact O-N 2.87Å |
| 50 | L | 74.5 | Confident | 71.7 | Confident | 41 Ų | 41 | 81.1 Ų | 81.1 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 177.6 | -75 | 166.6 | 0 | 0 | 0 | 112.5 | A46 Q47 A54 E145 | A46-L50 VanDerWaalsContact O-CG 3.32Å; A46-L50 WeakPolarHBondContact O-CG 3.42Å; A46-L50 PolarHBondContact O-N 3.07Å; A46-L50 VanDerWaalsContact O-N 3.16Å; Q47-L50 PolarHBondContact O-N 3.36Å; L50-A54 PolarHBondContact O-N 2.75Å; L50-E145 HydrophobicContact CD2-CG 3.94Å |
| 51 | I | 77.2 | Confident | 70 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 43% | 0.426 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 177.6 | -67.5 | 164.5 | 0 | 0 | 0 | 111.4 | Q47 E48 A49 A54 K55 | Q47-I51 WeakPolarHBondContact O-CD1 3.25Å; Q47-I51 VanDerWaalsContact O-CG1 3.29Å; Q47-I51 WeakPolarHBondContact O-CG1 3.38Å; Q47-I51 PolarHBondContact O-N 2.96Å; E48-I51 PolarHBondContact O-N 3.24Å; A49-I51 VanDerWaalsContact C-N 3.29Å; A49-I51 PolarHBondContact O-N 3.1Å; I51-A54 PolarHBondContact O-N 3.38Å; I51-K55 PolarHBondContact O-N 3.44Å |
| 52 | Q | 74 | Confident | 67.8 | Low | 125 Ų | 125 | 84.4 Ų | 84.4 | 58% | 0.584 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 177.7 | -75.7 | -177.8 | -1.1 | 0 | 0 | 111.6 | E48 A49 A54 K55 E56 | E48-Q52 PolarHBondContact O-N 3.4Å; E48-Q52 VanDerWaalsContact O-N 3.12Å; A49-Q52 PolarHBondContact O-N 3.24Å; A49-Q52 VanDerWaalsContact O-N 3.14Å; Q52-A54 VanDerWaalsContact C-N 3.34Å; Q52-A54 PolarHBondContact O-N 2.97Å; Q52-K55 WeakPolarHBondContact O-CB 3.15Å; Q52-K55 PolarHBondContact O-N 3.2Å; Q52-K55 VanDerWaalsContact O-N 3.09Å; Q52-E56 PolarHBondContact O-N 3.44Å |
| 53 | V | 62 | Low | 66 | Low | 40 Ų | 40 | 87 Ų | 87 | 24% | 0.242 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -69.9 | -32.3 | -179.6 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | A49 K55 E56 S57 E145 R149 | A49-V53 PolarHBondContact O-N 2.87Å; V53-K55 VanDerWaalsContact C-N 3.26Å; V53-K55 PolarHBondContact O-N 3.02Å; V53-E56 PolarHBondContact O-N 2.66Å; V53-S57 PolarHBondContact O-N 3.1Å; V53-S57 PolarHBondContact O-OG 3.35Å; V53-E145 WeakPolarHBondContact CG2-OE1 3.38Å; V53-R149 VanDerWaalsContact CG1-NH1 3.34Å |
| 54 | A | 64.5 | Low | 64.2 | Low | 44 Ų | 44 | 97.3 Ų | 97.3 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.4 | -32.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | L50 I51 Q52 | L50-A54 PolarHBondContact O-N 2.75Å; I51-A54 PolarHBondContact O-N 3.38Å; Q52-A54 VanDerWaalsContact C-N 3.34Å; Q52-A54 PolarHBondContact O-N 2.97Å |
| 55 | K | 64.7 | Low | 62.2 | Low | 114 Ų | 114 | 97.5 Ų | 97.5 | 50% | 0.496 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 173.6 | -77.8 | 176.3 | 170.3 | 174.7 | 0 | 112.1 | I51 Q52 V53 S58 | I51-K55 PolarHBondContact O-N 3.44Å; Q52-K55 WeakPolarHBondContact O-CB 3.15Å; Q52-K55 PolarHBondContact O-N 3.2Å; Q52-K55 VanDerWaalsContact O-N 3.09Å; V53-K55 VanDerWaalsContact C-N 3.26Å; V53-K55 PolarHBondContact O-N 3.02Å; K55-S58 PolarHBondContact O-OG 3.14Å |
| 56 | E | 58.4 | Low | 60.1 | Low | 132 Ų | 132 | 97.4 Ų | 97.4 | 62% | 0.617 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.4 | -34.1 | -175.8 | -68.3 | 177.2 | 179.2 | 0 | 0 | 113.4 | Q52 V53 S58 S59 | Q52-E56 PolarHBondContact O-N 3.44Å; V53-E56 PolarHBondContact O-N 2.66Å; E56-S58 VanDerWaalsContact C-N 3.28Å; E56-S58 PolarHBondContact O-N 3.28Å; E56-S59 PolarHBondContact O-N 3.05Å |
| 57 | S | 56.9 | Low | 58.1 | Low | 80 Ų | 80 | 105 Ų | 105 | 56% | 0.559 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.3 | -16.8 | 179.5 | 41.3 | 0 | 0 | 0 | 0 | 114.2 | V53 S59 | V53-S57 PolarHBondContact O-N 3.1Å; V53-S57 PolarHBondContact O-OG 3.35Å; S57-S59 VanDerWaalsContact C-N 3.32Å |
| 58 | S | 54.5 | Low | 56.4 | Low | 78 Ų | 78 | 108.5 Ų | 108.5 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -13.9 | 172.4 | 69.7 | 0 | 0 | 0 | 0 | 114.6 | K55 E56 | K55-S58 PolarHBondContact O-OG 3.14Å; E56-S58 VanDerWaalsContact C-N 3.28Å; E56-S58 PolarHBondContact O-N 3.28Å |
| 59 | S | 52.1 | Low | 54.7 | Low | 102 Ų | 102 | 106.7 Ų | 106.7 | 71% | 0.713 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 1.9 | -177 | -67.8 | 0 | 0 | 0 | 0 | 114.7 | E56 S57 | E56-S59 PolarHBondContact O-N 3.05Å; S57-S59 VanDerWaalsContact C-N 3.32Å |
| 60 | V | 50.9 | Low | 53.4 | Low | 132 Ų | 132 | 112 Ų | 112 | 80% | 0.8 | 66% | 0.655 | S | S | * | * | trans | -127.5 | 66 | 179.8 | -164.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 61 | S | 40.1 | Very low | 52.1 | Low | 112 Ų | 112 | 115.8 Ų | 115.8 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | trans | -132 | 88.4 | 172.8 | -167.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 62 | S | 39.9 | Very low | 50.5 | Low | 127 Ų | 127 | 117.6 Ų | 117.6 | 89% | 0.888 | 69% | 0.692 | S | S | * | * | trans | -168.3 | 76.5 | 164.7 | -160.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 63 | A | 41.7 | Very low | 49.3 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | trans | -155.3 | 110.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 64 | R | 40 | Very low | 48.7 | Very low | 235 Ų | 235 | 126.8 Ų | 126.8 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | trans | -79.2 | 138 | -174.8 | -78.7 | 175.6 | 165.7 | 175.2 | -4.6 | 113.3 | ||||
| 65 | L | 42.5 | Very low | 47.7 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 53.7 | 159.8 | 129.5 | -67.9 | 177.8 | 0 | 0 | 0 | 120.4 | |||||
| 66 | P | 44.2 | Very low | 46.8 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | cis | -141 | 165.7 | 28.2 | 37.8 | -15.1 | 0 | 0 | 0 | 119.9 | ||||
| 67 | E | 38.1 | Very low | 46 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -58.3 | 136.4 | 172.4 | -174.8 | 177.7 | 152.8 | 0 | 0 | 114.3 | ||||
| 68 | V | 47.4 | Very low | 45.5 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | trans | -131 | 135.7 | 164.2 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 69 | A | 46.9 | Very low | 45.4 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -57.8 | 154 | -168.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 70 | V | 50 | Low | 45.2 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -82.1 | 164.8 | 174.7 | -148.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 71 | P | 47.4 | Very low | 45.5 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | -141.3 | 127.1 | 112 | 32.7 | -16.4 | 0 | 0 | 0 | 113 | |||||
| 72 | N | 44.5 | Very low | 46 | Very low | 121 Ų | 121 | 145 Ų | 145 | 65% | 0.647 | 80% | 0.8 | S | S | * | * | 60.6 | 96.3 | 95.7 | -165.2 | 4.2 | 0 | 0 | 0 | 114.4 | |||||
| 73 | F | 49 | Very low | 47.1 | Very low | 208 Ų | 208 | 144.7 Ų | 144.7 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -143.4 | 121.6 | 147.4 | -98.7 | -79.5 | 0 | 0 | 0 | 111.4 | ||||
| 74 | Q | 48.6 | Very low | 47.5 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -38 | 126.1 | 172.2 | -68.2 | 166.2 | 21.2 | 0 | 0 | 113.7 | ||||
| 75 | Q | 43 | Very low | 47.9 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | 72.7 | 86.6 | 88.2 | -159.6 | -179.7 | 4.4 | 0 | 0 | 113.4 | |||||
| 76 | V | 46.1 | Very low | 48.4 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -140.1 | 102.6 | 158.2 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 77 | F | 42.1 | Very low | 48.8 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | 25.3 | 107.8 | 147.1 | -61.4 | -86.4 | 0 | 0 | 0 | 119.1 | ||||
| 78 | A | 45.7 | Very low | 49 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -106.8 | 141.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 79 | P | 52.3 | Low | 48.9 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -74.6 | 150.1 | -166 | 30.5 | -35.3 | 0 | 0 | 0 | 113.3 | V81 | P79-V81 PolarHBondContact O-N 3.19Š| ||
| 80 | T | 48.9 | Very low | 49.5 | Very low | 139 Ų | 139 | 156 Ų | 156 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -52.3 | 102.9 | 173.8 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | R82 | T80-R82 PolarHBondContact O-N 3.35Š| ||
| 81 | V | 57.6 | Low | 49.7 | Very low | 131 Ų | 131 | 155.3 Ų | 155.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -82.9 | 111.8 | 166.6 | -171.4 | 0 | 0 | 0 | 0 | 107.2 | P79 | P79-V81 PolarHBondContact O-N 3.19Š| ||
| 82 | R | 49.9 | Very low | 49.4 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 79% | 0.789 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 128.3 | 170.8 | -76 | -174.3 | 165.6 | -159.1 | -4.1 | 109 | T80 Y84 | T80-R82 PolarHBondContact O-N 3.35Å; R82-Y84 PolarHBondContact O-N 2.79Å | ||
| 83 | P | 63.9 | Low | 49.7 | Very low | 121 Ų | 121 | 154.2 Ų | 154.2 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -71.9 | 114.1 | 174.1 | 28.6 | -30.8 | 0 | 0 | 0 | 108.9 | Y85 | P83-Y85 PolarHBondContact O-N 2.92Š| ||
| 84 | Y | 48.4 | Very low | 49.7 | Very low | 212 Ų | 212 | 153.4 Ų | 153.4 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -76.2 | 99.6 | 162.1 | -88.3 | -90.9 | 0 | 0 | 0 | 107.6 | R82 Y86 | R82-Y84 PolarHBondContact O-N 2.79Å; Y84-Y86 PolarHBondContact O-N 2.71Å; Y84-Y86 VanDerWaalsContact O-N 3.14Å | ||
| 85 | Y | 48.5 | Very low | 49.4 | Very low | 215 Ų | 215 | 151.9 Ų | 151.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -71.6 | 97.7 | 174.4 | -155.4 | -93.9 | 0 | 0 | 0 | 108.4 | P83 | P83-Y85 PolarHBondContact O-N 2.92Š| ||
| 86 | Y | 53.1 | Low | 50 | Low | 200 Ų | 200 | 148.9 Ų | 148.9 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -84.2 | 121 | 167.6 | -99.7 | -87 | 0 | 0 | 0 | 108.8 | Y84 C88 | Y84-Y86 PolarHBondContact O-N 2.71Å; Y84-Y86 VanDerWaalsContact O-N 3.14Å; Y86-C88 PolarHBondContact O-N 3.42Å | ||
| 87 | P | 53.4 | Low | 50.1 | Low | 89 Ų | 89 | 148 Ų | 148 | 58% | 0.578 | 79% | 0.794 | S | S | * | * | trans | -77.1 | 106 | 175.3 | 29 | -28.8 | 0 | 0 | 0 | 109.6 | Y89 | P87-Y89 PolarHBondContact O-N 3.41Š| ||
| 88 | C | 43 | Very low | 50.3 | Low | 105 Ų | 105 | 143.7 Ų | 143.7 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -78.4 | 108.5 | 164.7 | -96.1 | 0 | 0 | 0 | 0 | 109 | Y86 Y90 | Y86-C88 PolarHBondContact O-N 3.42Å; C88-Y90 HydrophobicContact CB-CD2 4.37Å; C88-Y90 HydrophobicContact CB-CE2 4.16Å; C88-Y90 PolarHBondContact O-N 3.07Å | ||
| 89 | Y | 44.7 | Very low | 50.3 | Low | 221 Ų | 221 | 144 Ų | 144 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -66.2 | 108.8 | 165.7 | -77.7 | -95.5 | 0 | 0 | 0 | 109.2 | P87 | P87-Y89 PolarHBondContact O-N 3.41Š| ||
| 90 | Y | 58.5 | Low | 50.2 | Low | 206 Ų | 206 | 146.7 Ų | 146.7 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 123.8 | 161 | -81.2 | -87.5 | 0 | 0 | 0 | 108.3 | C88 | C88-Y90 HydrophobicContact CB-CD2 4.37Å; C88-Y90 HydrophobicContact CB-CE2 4.16Å; C88-Y90 PolarHBondContact O-N 3.07Å |
| 91 | P | 55.1 | Low | 49.9 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 131.9 | 168.7 | 27.9 | -30.5 | 0 | 0 | 0 | 109.6 | ||
| 92 | A | 40 | Very low | 49.7 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 124.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 93 | S | 52.1 | Low | 49.4 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -139.7 | 96.9 | 165.8 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 94 | E | 48.4 | Very low | 49 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | 49.7 | 145 | 146.4 | -87 | -176.6 | 129 | 0 | 0 | 124.6 | ||||
| 95 | P | 43 | Very low | 48.5 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 132.7 | -177.3 | 36.4 | -29.7 | 0 | 0 | 0 | 112.1 | ||
| 96 | A | 55.7 | Low | 47.9 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 132.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 97 | P | 46.8 | Very low | 47.4 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 142.5 | -172.7 | 36.1 | -34 | 0 | 0 | 0 | 113.8 | ||
| 98 | S | 48.2 | Very low | 46.7 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | 51.2 | 106.3 | 141.8 | 56.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 99 | S | 45.2 | Very low | 46.8 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 38.5 | 117.2 | 123 | 62.7 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 100 | N | 50.1 | Low | 46.9 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -140.8 | 128.5 | 133.1 | -82.5 | -45.7 | 0 | 0 | 0 | 110.8 | ||||
| 101 | L | 43.1 | Very low | 46.3 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -69.1 | 125.6 | -178.7 | -167.7 | 83.9 | 0 | 0 | 0 | 110.4 | ||||
| 102 | V | 52.9 | Low | 46.1 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -136.8 | 106.3 | 148.4 | -79.4 | 0 | 0 | 0 | 0 | 108.8 | V104 | V102-V104 PolarHBondContact O-N 3.24Š| ||
| 103 | D | 42.7 | Very low | 46.8 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | -56.3 | 115.9 | 168.2 | -92 | -76.3 | 0 | 0 | 0 | 111.6 | ||||
| 104 | V | 55 | Low | 46.7 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -142.6 | 91.8 | 148 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | V102 G106 | V102-V104 PolarHBondContact O-N 3.24Å; V104-G106 PolarHBondContact O-N 3.33Å | ||
| 105 | K | 38.5 | Very low | 47.1 | Very low | 199 Ų | 199 | 120.5 Ų | 120.5 | 87% | 0.865 | 70% | 0.697 | S | S | * | * | trans | 37 | 87.5 | 130.5 | -158.3 | 82.6 | 173.5 | -175.6 | 0 | 116.7 | ||||
| 106 | G | 35.5 | Very low | 47.7 | Very low | 72 Ų | 72 | 116.8 Ų | 116.8 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | trans | 74.5 | 112.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | V104 | V104-G106 PolarHBondContact O-N 3.33Š| ||
| 107 | R | 43.4 | Very low | 47.7 | Very low | 176 Ų | 176 | 115.1 Ų | 115.1 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | trans | -174.7 | 130.8 | 140.8 | -118.2 | 172.4 | 165.3 | 142.3 | -1.3 | 111 | S109 | R107-S109 PolarHBondContact O-N 3.47Š| ||
| 108 | D | 39.1 | Very low | 48.5 | Very low | 164 Ų | 164 | 119 Ų | 119 | 88% | 0.877 | 66% | 0.656 | S | S | * | * | trans | -54.8 | 105.9 | 169.4 | -66 | -51.8 | 0 | 0 | 0 | 110.6 | ||||
| 109 | S | 44.8 | Very low | 49.7 | Very low | 88 Ų | 88 | 120.3 Ų | 120.3 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | trans | -118.3 | 29 | -176.4 | 54.8 | 0 | 0 | 0 | 0 | 113 | R107 L111 | R107-S109 PolarHBondContact O-N 3.47Å; S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.06Å | ||
| 110 | T | 47.7 | Very low | 51.3 | Low | 134 Ų | 134 | 115.9 Ų | 115.9 | 82% | 0.822 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -79.1 | -9 | 176.6 | 9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 111 | L | 45 | Very low | 52.9 | Low | 132 Ų | 132 | 108.2 Ų | 108.2 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -102.7 | -17.2 | -172.4 | -130.2 | 151.2 | 0 | 0 | 0 | 114 | S109 E113 | S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.06Å; L111-E113 VanDerWaalsContact C-N 3.31Å; L111-E113 PolarHBondContact O-N 3.46Å |
| 112 | D | 51.8 | Low | 54.9 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -73 | -21 | 180 | -82.7 | -41.5 | 0 | 0 | 0 | 113.4 | S114 | D112-S114 VanDerWaalsContact C-N 3.32Å; D112-S114 PolarHBondContact O-N 3.35Å |
| 113 | E | 53.3 | Low | 56.6 | Low | 124 Ų | 124 | 100.5 Ų | 100.5 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -82.2 | -5.9 | -177.1 | -158.3 | 111.7 | 162.8 | 0 | 0 | 114 | L111 S116 | L111-E113 VanDerWaalsContact C-N 3.31Å; L111-E113 PolarHBondContact O-N 3.46Å; E113-S116 VanDerWaalsContact C-OG 3.27Å; E113-S116 VanDerWaalsContact CA-OG 3.25Å; E113-S116 WeakPolarHBondContact CA-OG 3.46Å; E113-S116 PolarHBondContact O-OG 3.01Å; E113-S116 VanDerWaalsContact O-OG 3.07Å |
| 114 | S | 51.5 | Low | 58.6 | Low | 39 Ų | 39 | 94.1 Ų | 94.1 | 27% | 0.273 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -77.2 | -31.2 | -173.7 | -178.8 | 0 | 0 | 0 | 0 | 112.8 | D112 | D112-S114 VanDerWaalsContact C-N 3.32Å; D112-S114 PolarHBondContact O-N 3.35Å |
| 115 | W | 55.9 | Low | 60.2 | Low | 40 Ų | 40 | 89.7 Ų | 89.7 | 15% | 0.152 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -14.7 | -176.6 | -63.1 | 90.7 | 0 | 0 | 0 | 112.9 | N117 M120 R149 L152 L153 | W115-N117 PolarHBondContact O-N 3.05Å; W115-M120 HydrophobicContact CE3-SD 4.34Å; W115-M120 HydrophobicContact CZ3-SD 4.4Å; W115-R149 HydrophobicContact CZ2-CG 4Å; W115-L152 HydrophobicContact CH2-CB 3.61Å; W115-L152 HydrophobicContact CH2-CD1 3.85Å; W115-L152 HydrophobicContact CH2-CG 4.35Å; W115-L152 HydrophobicContact CZ3-CB 3.95Å; W115-L152 HydrophobicContact CZ3-CD1 3.61Å; W115-L152 HydrophobicContact CZ3-CG 4.4Å; W115-L153 HydrophobicContact CZ2-CD1 4.45Å; W115-L153 HydrophobicContact CZ2-CD2 3.62Å; W115-L153 HydrophobicContact CZ2-CG 3.78Å |
| 116 | S | 56 | Low | 62.5 | Low | 42 Ų | 42 | 86.8 Ų | 86.8 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -68 | 96.2 | -178 | 54.6 | 0 | 0 | 0 | 0 | 111 | E113 K118 | E113-S116 VanDerWaalsContact C-OG 3.27Å; E113-S116 VanDerWaalsContact CA-OG 3.25Å; E113-S116 WeakPolarHBondContact CA-OG 3.46Å; E113-S116 PolarHBondContact O-OG 3.01Å; E113-S116 VanDerWaalsContact O-OG 3.07Å; S116-K118 PolarHBondContact O-N 2.92Å |
| 117 | N | 56 | Low | 65 | Low | 67 Ų | 67 | 83.4 Ų | 83.4 | 36% | 0.358 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 42.2 | -27.7 | 155.5 | -67.5 | -20.8 | 0 | 0 | 0 | 121.8 | W43 W115 K125 | W43-N117 WeakPolarHBondContact CZ2-OD1 3.49Å; W115-N117 PolarHBondContact O-N 3.05Å; N117-K125 PolarHBondContact O-NZ 2.64Å |
| 118 | K | 61.8 | Low | 67.1 | Low | 195 Ų | 195 | 75.7 Ų | 75.7 | 85% | 0.848 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -92.2 | -18.7 | -175.3 | -63.4 | 179.2 | -178.9 | 176.7 | 0 | 113.9 | S116 | S116-K118 PolarHBondContact O-N 2.92Š|
| 119 | K | 73.6 | Confident | 69.4 | Low | 127 Ų | 127 | 69.6 Ų | 69.6 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -110 | -11.5 | -172.8 | -66.4 | -176.5 | 179.5 | 173.7 | 0 | 115.8 | ||
| 120 | M | 78.9 | Confident | 71.4 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -105.8 | 130.6 | -172.3 | -174.8 | 156.5 | 68.4 | 0 | 0 | 111.9 | W115 A124 K125 L156 | W115-M120 HydrophobicContact CE3-SD 4.34Å; W115-M120 HydrophobicContact CZ3-SD 4.4Å; M120-A124 HydrophobicContact CG-CB 3.53Å; M120-A124 HydrophobicContact SD-CB 3.82Å; M120-K125 HydrophobicContact CB-CG 4.49Å; M120-K125 HydrophobicContact CE-CB 4.22Å; M120-K125 HydrophobicContact CE-CG 3.5Å; M120-K125 HydrophobicContact CG-CG 4.17Å; M120-K125 WeakPolarHBondContact O-CE 3.42Å; M120-L156 HydrophobicContact CB-CD2 4.31Å; M120-L156 HydrophobicContact CG-CD2 4.21Å; M120-L156 HydrophobicContact SD-CD1 4.47Å |
| 121 | P | 85.4 | Confident | 73.3 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 7% | 0.065 | 31% | 0.31 | C | S | . | . | trans | -61.6 | 145.7 | 174.7 | 22.5 | -31.4 | 0 | 0 | 0 | 111.3 | G123 A124 K125 A161 W162 | P121-G123 PolarHBondContact O-N 3.41Å; P121-G123 VanDerWaalsContact O-N 3.15Å; P121-A124 HydrophobicContact CG-CB 3.87Å; P121-A124 WeakPolarHBondContact O-CB 3.17Å; P121-A124 PolarHBondContact O-N 3.1Å; P121-K125 PolarHBondContact O-N 3.48Å; P121-A161 HydrophobicContact CG-CB 4.08Å; P121-W162 HydrophobicContact CB-CD2 4.03Å; P121-W162 HydrophobicContact CB-CE3 3.72Å; P121-W162 HydrophobicContact CB-CH2 4.33Å; P121-W162 HydrophobicContact CB-CZ3 3.88Å; P121-W162 HydrophobicContact CG-CD2 4.27Å; P121-W162 HydrophobicContact CG-CE3 4.45Å | ||
| 122 | D | 84.8 | Confident | 75.1 | Confident | 108 Ų | 108 | 58 Ų | 58 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.4 | -30.5 | -176.3 | -63.5 | -32.7 | 0 | 0 | 0 | 113.1 | A124 K125 K126 | D122-A124 VanDerWaalsContact C-N 3.35Å; D122-A124 PolarHBondContact O-N 3.31Å; D122-K125 PolarHBondContact O-N 2.91Å; D122-K125 IonicContact OD1-NZ 3.11Å; D122-K125 PolarHBondContact OD1-NZ 2.7Å; D122-K125 VanDerWaalsContact OD1-NZ 3.11Å; D122-K126 WeakPolarHBondContact O-CG 3.44Å; D122-K126 PolarHBondContact O-N 2.97Å; D122-K126 VanDerWaalsContact O-N 3.08Å |
| 123 | G | 87 | Confident | 76.7 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P121 K126 Y127 W166 | P121-G123 PolarHBondContact O-N 3.41Å; P121-G123 VanDerWaalsContact O-N 3.15Å; G123-K126 PolarHBondContact O-N 3.46Å; G123-Y127 PolarHBondContact O-N 3.07Å; G123-W166 VanDerWaalsContact C-CD1 3.48Å; G123-W166 WeakPolarHBondContact O-CB 3.31Å |
| 124 | A | 86.2 | Confident | 78 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.6 | -37 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M120 P121 D122 K126 Y127 V128 L152 W166 | M120-A124 HydrophobicContact CG-CB 3.53Å; M120-A124 HydrophobicContact SD-CB 3.82Å; P121-A124 HydrophobicContact CG-CB 3.87Å; P121-A124 WeakPolarHBondContact O-CB 3.17Å; P121-A124 PolarHBondContact O-N 3.1Å; D122-A124 VanDerWaalsContact C-N 3.35Å; D122-A124 PolarHBondContact O-N 3.31Å; A124-K126 PolarHBondContact O-N 3.14Å; A124-Y127 WeakPolarHBondContact O-CB 3.35Å; A124-Y127 PolarHBondContact O-N 3.15Å; A124-V128 WeakPolarHBondContact O-CG2 3.35Å; A124-V128 PolarHBondContact O-N 2.92Å; A124-L152 HydrophobicContact CB-CD2 4.14Å; A124-W166 HydrophobicContact CB-CD2 3.9Å; A124-W166 HydrophobicContact CB-CE3 4.45Å; A124-W166 HydrophobicContact CB-CG 4.29Å; A124-W166 HydrophobicContact CB-CH2 4.45Å; A124-W166 HydrophobicContact CB-CZ2 3.87Å; A124-W166 VanDerWaalsContact N-CD1 3.33Å |
| 125 | K | 87 | Confident | 79.4 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.3 | -49 | 172 | -65.4 | 174.4 | -173.2 | 163.1 | 0 | 111.3 | N117 M120 P121 D122 Y127 V128 I129 | N117-K125 PolarHBondContact O-NZ 2.64Å; M120-K125 HydrophobicContact CB-CG 4.49Å; M120-K125 HydrophobicContact CE-CB 4.22Å; M120-K125 HydrophobicContact CE-CG 3.5Å; M120-K125 HydrophobicContact CG-CG 4.17Å; M120-K125 WeakPolarHBondContact O-CE 3.42Å; P121-K125 PolarHBondContact O-N 3.48Å; D122-K125 PolarHBondContact O-N 2.91Å; D122-K125 IonicContact OD1-NZ 3.11Å; D122-K125 PolarHBondContact OD1-NZ 2.7Å; D122-K125 VanDerWaalsContact OD1-NZ 3.11Å; K125-Y127 VanDerWaalsContact C-N 3.29Å; K125-Y127 PolarHBondContact O-N 3.43Å; K125-V128 PolarHBondContact O-N 3.42Å; K125-I129 WeakPolarHBondContact O-CG1 3.32Å; K125-I129 PolarHBondContact O-N 3.42Å; K125-I129 VanDerWaalsContact O-N 3.1Å |
| 126 | K | 87 | Confident | 80.5 | Confident | 137 Ų | 137 | 64.9 Ų | 64.9 | 60% | 0.596 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.3 | -37.6 | 176.3 | -68.4 | -179.7 | -179 | -172.9 | 0 | 112.2 | D122 G123 A124 I129 R130 | D122-K126 WeakPolarHBondContact O-CG 3.44Å; D122-K126 PolarHBondContact O-N 2.97Å; D122-K126 VanDerWaalsContact O-N 3.08Å; G123-K126 PolarHBondContact O-N 3.46Å; A124-K126 PolarHBondContact O-N 3.14Å; K126-I129 PolarHBondContact O-N 3.34Å; K126-R130 VanDerWaalsContact O-CB 3.32Å; K126-R130 WeakPolarHBondContact O-CB 3.48Å; K126-R130 PolarHBondContact O-N 2.87Å |
| 127 | Y | 88.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.1 | -177.8 | -96.4 | 0 | 0 | 0 | 112.5 | G123 A124 K125 R130 A131 L148 K151 W166 E169 P170 L171 | G123-Y127 PolarHBondContact O-N 3.07Å; A124-Y127 WeakPolarHBondContact O-CB 3.35Å; A124-Y127 PolarHBondContact O-N 3.15Å; K125-Y127 VanDerWaalsContact C-N 3.29Å; K125-Y127 PolarHBondContact O-N 3.43Å; Y127-R130 PolarHBondContact O-N 3.33Å; Y127-A131 WeakPolarHBondContact O-CB 3.38Å; Y127-A131 PolarHBondContact O-N 3.21Å; Y127-L148 HydrophobicContact CD1-CD2 3.81Å; Y127-L148 HydrophobicContact CE1-CD2 3.5Å; Y127-L148 VanDerWaalsContact CE1-CD2 3.5Å; Y127-K151 PolarHBondContact OH-NZ 3.49Å; Y127-K151 VanDerWaalsContact OH-NZ 3.1Å; Y127-W166 HydrophobicContact CD1-CE3 4.08Å; Y127-W166 HydrophobicContact CD1-CZ3 4.15Å; Y127-W166 HydrophobicContact CD2-CE3 4.13Å; Y127-W166 HydrophobicContact CE1-CZ3 4.47Å; Y127-W166 AromaticContact CG-CE3 3.77Å; Y127-W166 HydrophobicContact CG-CE3 3.77Å; Y127-W166 HydrophobicContact CG-CZ3 4.31Å; Y127-E169 HydrophobicContact CD2-CB 3.96Å; Y127-E169 HydrophobicContact CD2-CG 4.27Å; Y127-E169 HydrophobicContact CE2-CB 3.62Å; Y127-E169 HydrophobicContact CE2-CG 3.56Å; Y127-P170 WeakPolarHBondContact CE2-O 3.32Å; Y127-P170 PolarHBondContact OH-O 3.45Å; Y127-L171 HydrophobicContact CD2-CD2 4.3Å; Y127-L171 HydrophobicContact CE2-CD2 4.01Å |
| 128 | V | 87.8 | Confident | 82.9 | Confident | 15 Ų | 15 | 66.7 Ų | 66.7 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | A124 K125 R130 A131 M132 L148 L152 | A124-V128 WeakPolarHBondContact O-CG2 3.35Å; A124-V128 PolarHBondContact O-N 2.92Å; K125-V128 PolarHBondContact O-N 3.42Å; V128-R130 PolarHBondContact O-N 2.84Å; V128-A131 WeakPolarHBondContact O-CB 3.42Å; V128-A131 PolarHBondContact O-N 3.28Å; V128-M132 HydrophobicContact CG1-CG 4.34Å; V128-M132 VanDerWaalsContact O-CG 3.31Å; V128-M132 WeakPolarHBondContact O-CG 3.29Å; V128-M132 PolarHBondContact O-N 3.49Å; V128-L148 HydrophobicContact CB-CD1 4.47Å; V128-L148 HydrophobicContact CG1-CD1 4.13Å; V128-L148 HydrophobicContact CG2-CD1 4.35Å; V128-L148 HydrophobicContact CG2-CD2 4.46Å; V128-L152 HydrophobicContact CG2-CD1 3.43Å; V128-L152 VanDerWaalsContact CG2-CD1 3.43Å |
| 129 | I | 87.3 | Confident | 83.9 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.8 | -51.2 | 179.2 | -66.7 | 164.5 | 0 | 0 | 0 | 110.4 | V37 W43 K125 K126 A131 M132 E133 | V37-I129 HydrophobicContact CG1-CD1 3.28Å; W43-I129 HydrophobicContact CE3-CG1 4.46Å; K125-I129 WeakPolarHBondContact O-CG1 3.32Å; K125-I129 PolarHBondContact O-N 3.42Å; K125-I129 VanDerWaalsContact O-N 3.1Å; K126-I129 PolarHBondContact O-N 3.34Å; I129-A131 VanDerWaalsContact C-N 3.25Å; I129-A131 PolarHBondContact O-N 2.8Å; I129-M132 PolarHBondContact O-N 2.7Å; I129-M132 VanDerWaalsContact O-N 3.16Å; I129-E133 HydrophobicContact CG2-CG 4.33Å; I129-E133 WeakPolarHBondContact O-CG 3.41Å; I129-E133 PolarHBondContact O-N 2.67Å |
| 130 | R | 87.9 | Confident | 84.3 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 179.5 | -169.4 | -174 | 54.8 | 177.4 | 0.4 | 112.4 | K126 Y127 V128 C134 W166 I167 E169 L171 | K126-R130 VanDerWaalsContact O-CB 3.32Å; K126-R130 WeakPolarHBondContact O-CB 3.48Å; K126-R130 PolarHBondContact O-N 2.87Å; Y127-R130 PolarHBondContact O-N 3.33Å; V128-R130 PolarHBondContact O-N 2.84Å; R130-C134 PolarHBondContact O-N 3.48Å; R130-C134 PolarHBondContact O-SG 3.34Å; R130-W166 PolarHBondContact NH2-O 3.49Å; R130-I167 PolarHBondContact NH1-O 3.31Å; R130-E169 PolarHBondContact NH2-O 3.48Å; R130-L171 HydrophobicContact CB-CD2 4.1Å; R130-L171 HydrophobicContact CG-CD1 3.65Å; R130-L171 HydrophobicContact CG-CD2 3.99Å; R130-L171 HydrophobicContact CG-CG 4.33Å; R130-L171 VanDerWaalsContact NE-CD2 3.27Å |
| 131 | A | 85.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.4 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y127 V128 I129 E133 C134 I144 L148 L171 P172 | Y127-A131 WeakPolarHBondContact O-CB 3.38Å; Y127-A131 PolarHBondContact O-N 3.21Å; V128-A131 WeakPolarHBondContact O-CB 3.42Å; V128-A131 PolarHBondContact O-N 3.28Å; I129-A131 VanDerWaalsContact C-N 3.25Å; I129-A131 PolarHBondContact O-N 2.8Å; A131-E133 VanDerWaalsContact C-N 3.34Å; A131-E133 PolarHBondContact O-N 3.35Å; A131-C134 WeakPolarHBondContact O-CB 3.28Å; A131-C134 PolarHBondContact O-N 3.2Å; A131-C134 VanDerWaalsContact O-N 3.15Å; A131-I144 HydrophobicContact CB-CG2 3.76Å; A131-L148 HydrophobicContact CB-CD1 4.01Å; A131-L148 HydrophobicContact CB-CD2 4.13Å; A131-L148 HydrophobicContact CB-CG 4.45Å; A131-L171 HydrophobicContact CB-CD2 3.82Å; A131-P172 HydrophobicContact CB-CG 4.41Å |
| 132 | M | 84 | Confident | 84.4 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -35.9 | 178.4 | -63.4 | -62 | -76.2 | 0 | 0 | 112 | V128 I129 C134 A135 E141 I144 L148 | V128-M132 HydrophobicContact CG1-CG 4.34Å; V128-M132 VanDerWaalsContact O-CG 3.31Å; V128-M132 WeakPolarHBondContact O-CG 3.29Å; V128-M132 PolarHBondContact O-N 3.49Å; I129-M132 PolarHBondContact O-N 2.7Å; I129-M132 VanDerWaalsContact O-N 3.16Å; M132-C134 PolarHBondContact O-N 2.93Å; M132-A135 WeakPolarHBondContact O-CB 3.35Å; M132-A135 PolarHBondContact O-N 3.43Å; M132-E141 HydrophobicContact CE-CG 3.33Å; M132-E141 WeakPolarHBondContact CE-OE1 3.45Å; M132-E141 HydrophobicContact SD-CG 4.36Å; M132-I144 HydrophobicContact SD-CG2 4.03Å; M132-L148 HydrophobicContact SD-CD1 4.38Å |
| 133 | E | 84.6 | Confident | 84.5 | Confident | 136 Ų | 136 | 67.9 Ų | 67.9 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.8 | -23.5 | 174.1 | -75.4 | 175.4 | 172.4 | 0 | 0 | 113.3 | I129 A131 A135 | I129-E133 HydrophobicContact CG2-CG 4.33Å; I129-E133 WeakPolarHBondContact O-CG 3.41Å; I129-E133 PolarHBondContact O-N 2.67Å; A131-E133 VanDerWaalsContact C-N 3.34Å; A131-E133 PolarHBondContact O-N 3.35Å; E133-A135 VanDerWaalsContact C-N 3.31Å |
| 134 | C | 80.5 | Confident | 84.5 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 32% | 0.318 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -12.1 | 174.7 | -67.6 | 0 | 0 | 0 | 0 | 113.2 | R130 A131 M132 R136 L171 T173 | R130-C134 PolarHBondContact O-N 3.48Å; R130-C134 PolarHBondContact O-SG 3.34Å; A131-C134 WeakPolarHBondContact O-CB 3.28Å; A131-C134 PolarHBondContact O-N 3.2Å; A131-C134 VanDerWaalsContact O-N 3.15Å; M132-C134 PolarHBondContact O-N 2.93Å; C134-R136 PolarHBondContact O-N 3.45Å; C134-L171 WeakPolarHBondContact SG-CD1 3.34Å; C134-T173 HydrophobicContact CB-CG2 4.5Å |
| 135 | A | 82 | Confident | 84.4 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | trans | -72 | 112.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | M132 E133 D140 E141 I144 | M132-A135 WeakPolarHBondContact O-CB 3.35Å; M132-A135 PolarHBondContact O-N 3.43Å; E133-A135 VanDerWaalsContact C-N 3.31Å; A135-D140 HydrophobicContact CB-CB 4.28Å; A135-E141 HydrophobicContact CB-CB 3.97Å; A135-E141 HydrophobicContact CB-CG 4.48Å; A135-I144 HydrophobicContact CB-CD1 3.72Å | ||
| 136 | R | 77.4 | Confident | 84.4 | Confident | 240 Ų | 240 | 72.4 Ų | 72.4 | 91% | 0.906 | 35% | 0.349 | S | S | * | . | trans | -91.8 | -21.8 | 175.8 | -64.9 | -176.3 | -179.2 | -171.3 | 0.2 | 112.6 | C134 | C134-R136 PolarHBondContact O-N 3.45Š| ||
| 137 | T | 80.6 | Confident | 84.3 | Confident | 66 Ų | 66 | 68 Ų | 68 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -126.1 | 155.5 | -177.8 | 70.7 | 0 | 0 | 0 | 0 | 110.1 | E139 D140 E141 | T137-E139 PolarHBondContact O-N 3.01Å; T137-D140 PolarHBondContact O-N 3.24Å; T137-D140 VanDerWaalsContact O-N 3.14Å; T137-D140 WeakPolarHBondContact OG1-CB 3.36Å; T137-D140 PolarHBondContact OG1-N 3.25Å; T137-D140 VanDerWaalsContact OG1-N 3.15Å; T137-D140 PolarHBondContact OG1-OD2 2.64Å; T137-E141 PolarHBondContact O-N 3.18Å |
| 138 | A | 82 | Confident | 84.3 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 67% | 0.669 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.6 | -32.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D140 E141 E142 | A138-D140 VanDerWaalsContact C-N 3.35Å; A138-E141 WeakPolarHBondContact O-CB 3.3Å; A138-E141 PolarHBondContact O-N 3.24Å; A138-E142 PolarHBondContact O-N 3.41Å; A138-E142 VanDerWaalsContact O-N 3.16Å |
| 139 | E | 82.6 | Confident | 84 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.9 | -35.9 | 175.2 | -61.6 | 176.7 | -167.7 | 0 | 0 | 112.3 | T137 K143 | T137-E139 PolarHBondContact O-N 3.01Å; E139-K143 WeakPolarHBondContact O-CD 3.21Å; E139-K143 WeakPolarHBondContact O-CG 3.45Å; E139-K143 PolarHBondContact O-N 3.09Å |
| 140 | D | 82.4 | Confident | 83.9 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.6 | -37.6 | 175.8 | -63.6 | -33.2 | 0 | 0 | 0 | 111 | A135 T137 A138 E142 K143 I144 | A135-D140 HydrophobicContact CB-CB 4.28Å; T137-D140 PolarHBondContact O-N 3.24Å; T137-D140 VanDerWaalsContact O-N 3.14Å; T137-D140 WeakPolarHBondContact OG1-CB 3.36Å; T137-D140 PolarHBondContact OG1-N 3.25Å; T137-D140 VanDerWaalsContact OG1-N 3.15Å; T137-D140 PolarHBondContact OG1-OD2 2.64Å; A138-D140 VanDerWaalsContact C-N 3.35Å; D140-E142 PolarHBondContact O-N 2.88Å; D140-K143 PolarHBondContact O-N 3.24Å; D140-K143 IonicContact OD1-NZ 2.7Å; D140-I144 HydrophobicContact CB-CD1 4.37Å; D140-I144 VanDerWaalsContact O-CB 3.29Å; D140-I144 WeakPolarHBondContact O-CB 3.25Å; D140-I144 VanDerWaalsContact O-CD1 3.3Å; D140-I144 WeakPolarHBondContact O-CD1 3.18Å; D140-I144 WeakPolarHBondContact O-CG1 3.39Å; D140-I144 PolarHBondContact O-N 2.9Å |
| 141 | E | 83.8 | Confident | 83.7 | Confident | 46 Ų | 46 | 71 Ų | 71 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.7 | -50.1 | 176 | -166.1 | 172.1 | 175.5 | 0 | 0 | 110.7 | K45 M132 A135 T137 A138 K143 I144 E145 | K45-E141 IonicContact NZ-OE2 3.95Å; M132-E141 HydrophobicContact CE-CG 3.33Å; M132-E141 WeakPolarHBondContact CE-OE1 3.45Å; M132-E141 HydrophobicContact SD-CG 4.36Å; A135-E141 HydrophobicContact CB-CB 3.97Å; A135-E141 HydrophobicContact CB-CG 4.48Å; T137-E141 PolarHBondContact O-N 3.18Å; A138-E141 WeakPolarHBondContact O-CB 3.3Å; A138-E141 PolarHBondContact O-N 3.24Å; E141-K143 PolarHBondContact O-N 3.39Å; E141-I144 PolarHBondContact O-N 2.81Å; E141-E145 WeakPolarHBondContact O-CB 3.42Å; E141-E145 PolarHBondContact O-N 2.74Å |
| 142 | E | 83.8 | Confident | 83.7 | Confident | 130 Ų | 130 | 71 Ų | 71 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 178 | -167.5 | -167.5 | 162.7 | 0 | 0 | 112.4 | A138 D140 E145 K146 | A138-E142 PolarHBondContact O-N 3.41Å; A138-E142 VanDerWaalsContact O-N 3.16Å; D140-E142 PolarHBondContact O-N 2.88Å; E142-E145 PolarHBondContact O-N 3.16Å; E142-K146 WeakPolarHBondContact O-CB 3.14Å; E142-K146 PolarHBondContact O-N 3.15Å |
| 143 | K | 86.6 | Confident | 83.6 | Confident | 112 Ų | 112 | 71.7 Ų | 71.7 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 177 | -72.1 | 167 | -161.6 | 159.3 | 0 | 111.3 | E139 D140 E141 K146 L147 | E139-K143 WeakPolarHBondContact O-CD 3.21Å; E139-K143 WeakPolarHBondContact O-CG 3.45Å; E139-K143 PolarHBondContact O-N 3.09Å; D140-K143 PolarHBondContact O-N 3.24Å; D140-K143 IonicContact OD1-NZ 2.7Å; E141-K143 PolarHBondContact O-N 3.39Å; K143-K146 PolarHBondContact O-N 3.48Å; K143-L147 WeakPolarHBondContact O-CB 3.39Å; K143-L147 VanDerWaalsContact O-CG 3.29Å; K143-L147 WeakPolarHBondContact O-CG 3.2Å; K143-L147 PolarHBondContact O-N 3.17Å |
| 144 | I | 86.3 | Confident | 83.6 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 178.8 | -72 | 160.7 | 0 | 0 | 0 | 109.5 | A131 M132 A135 D140 E141 K146 L147 L148 P172 T173 | A131-I144 HydrophobicContact CB-CG2 3.76Å; M132-I144 HydrophobicContact SD-CG2 4.03Å; A135-I144 HydrophobicContact CB-CD1 3.72Å; D140-I144 HydrophobicContact CB-CD1 4.37Å; D140-I144 VanDerWaalsContact O-CB 3.29Å; D140-I144 WeakPolarHBondContact O-CB 3.25Å; D140-I144 VanDerWaalsContact O-CD1 3.3Å; D140-I144 WeakPolarHBondContact O-CD1 3.18Å; D140-I144 WeakPolarHBondContact O-CG1 3.39Å; D140-I144 PolarHBondContact O-N 2.9Å; E141-I144 PolarHBondContact O-N 2.81Å; I144-K146 PolarHBondContact O-N 3.4Å; I144-L147 PolarHBondContact O-N 3.46Å; I144-L148 HydrophobicContact CG2-CD1 3.77Å; I144-L148 HydrophobicContact CG2-CG 4.13Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 WeakPolarHBondContact O-CG 3.47Å; I144-L148 PolarHBondContact O-N 2.99Å; I144-P172 HydrophobicContact CG1-CB 4.38Å; I144-P172 HydrophobicContact CG2-CG 4.43Å; I144-T173 WeakPolarHBondContact CD1-OG1 3.47Å |
| 145 | E | 85 | Confident | 83.9 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.065 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 177.6 | -171.8 | -174.3 | 146.2 | 0 | 0 | 111.7 | L50 V53 E141 E142 L147 L148 R149 | L50-E145 HydrophobicContact CD2-CG 3.94Å; V53-E145 WeakPolarHBondContact CG2-OE1 3.38Å; E141-E145 WeakPolarHBondContact O-CB 3.42Å; E141-E145 PolarHBondContact O-N 2.74Å; E142-E145 PolarHBondContact O-N 3.16Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.44Å; E145-L148 PolarHBondContact O-N 3.26Å; E145-R149 WeakPolarHBondContact O-CG 3.4Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 3.84Å; E145-R149 IonicContact OE1-NH1 2.66Å; E145-R149 PolarHBondContact OE1-NH1 3.46Å; E145-R149 IonicContact OE1-NH2 2.98Å; E145-R149 PolarHBondContact OE1-NH2 2.93Å |
| 146 | K | 85.9 | Confident | 84.1 | Confident | 138 Ų | 138 | 68.1 Ų | 68.1 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.8 | -42.8 | 176.5 | -171.4 | 174.5 | -176.9 | 173.6 | 0 | 112 | E142 K143 I144 R149 L150 | E142-K146 WeakPolarHBondContact O-CB 3.14Å; E142-K146 PolarHBondContact O-N 3.15Å; K143-K146 PolarHBondContact O-N 3.48Å; I144-K146 PolarHBondContact O-N 3.4Å; K146-R149 PolarHBondContact O-N 2.94Å; K146-L150 WeakPolarHBondContact O-CG 3.25Å; K146-L150 PolarHBondContact O-N 3.28Å; K146-L150 VanDerWaalsContact O-N 3.14Å |
| 147 | L | 84.8 | Confident | 84.3 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.4 | -74.2 | 171.4 | 0 | 0 | 0 | 112.2 | K143 I144 E145 R149 L150 K151 P172 F177 L179 | K143-L147 WeakPolarHBondContact O-CB 3.39Å; K143-L147 VanDerWaalsContact O-CG 3.29Å; K143-L147 WeakPolarHBondContact O-CG 3.2Å; K143-L147 PolarHBondContact O-N 3.17Å; I144-L147 PolarHBondContact O-N 3.46Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.44Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-L150 PolarHBondContact O-N 3.14Å; L147-K151 WeakPolarHBondContact O-CB 3.38Å; L147-K151 PolarHBondContact O-N 3.34Å; L147-P172 HydrophobicContact CB-CB 4.18Å; L147-P172 HydrophobicContact CB-CG 4.49Å; L147-P172 HydrophobicContact CD1-CB 3.79Å; L147-F177 HydrophobicContact CD1-CE1 4.21Å; L147-F177 HydrophobicContact CD2-CE1 4.17Å; L147-L179 HydrophobicContact CD2-CD1 4.06Å; L147-L179 HydrophobicContact CD2-CD2 4.3Å |
| 148 | L | 88.4 | Confident | 84.5 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 175.8 | -73.3 | 174.5 | 0 | 0 | 0 | 110.8 | Y127 V128 A131 M132 I144 E145 K151 L152 P172 | Y127-L148 HydrophobicContact CD1-CD2 3.81Å; Y127-L148 HydrophobicContact CE1-CD2 3.5Å; Y127-L148 VanDerWaalsContact CE1-CD2 3.5Å; V128-L148 HydrophobicContact CB-CD1 4.47Å; V128-L148 HydrophobicContact CG1-CD1 4.13Å; V128-L148 HydrophobicContact CG2-CD1 4.35Å; V128-L148 HydrophobicContact CG2-CD2 4.46Å; A131-L148 HydrophobicContact CB-CD1 4.01Å; A131-L148 HydrophobicContact CB-CD2 4.13Å; A131-L148 HydrophobicContact CB-CG 4.45Å; M132-L148 HydrophobicContact SD-CD1 4.38Å; I144-L148 HydrophobicContact CG2-CD1 3.77Å; I144-L148 HydrophobicContact CG2-CG 4.13Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 WeakPolarHBondContact O-CG 3.47Å; I144-L148 PolarHBondContact O-N 2.99Å; E145-L148 PolarHBondContact O-N 3.26Å; L148-K151 PolarHBondContact O-N 3.16Å; L148-L152 HydrophobicContact CB-CD1 4.13Å; L148-L152 HydrophobicContact CD2-CD1 4.03Å; L148-L152 WeakPolarHBondContact O-CB 3.21Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 2.98Å; L148-P172 HydrophobicContact CD2-CG 4.23Å; L148-P172 HydrophobicContact CG-CG 4.49Å |
| 149 | R | 82.8 | Confident | 84.6 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 22% | 0.219 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 174.8 | -74.4 | -169.4 | 176.6 | 109.4 | -1 | 112.2 | V53 W115 E145 K146 L147 K151 L153 | V53-R149 VanDerWaalsContact CG1-NH1 3.34Å; W115-R149 HydrophobicContact CZ2-CG 4Å; E145-R149 WeakPolarHBondContact O-CG 3.4Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 3.84Å; E145-R149 IonicContact OE1-NH1 2.66Å; E145-R149 PolarHBondContact OE1-NH1 3.46Å; E145-R149 IonicContact OE1-NH2 2.98Å; E145-R149 PolarHBondContact OE1-NH2 2.93Å; K146-R149 PolarHBondContact O-N 2.94Å; L147-R149 VanDerWaalsContact C-N 3.34Å; R149-K151 PolarHBondContact O-N 3.36Å; R149-L153 HydrophobicContact CB-CD1 4.35Å; R149-L153 WeakPolarHBondContact O-CB 3.43Å; R149-L153 VanDerWaalsContact O-CG 3.3Å; R149-L153 WeakPolarHBondContact O-CG 3.42Å; R149-L153 PolarHBondContact O-N 3.19Å |
| 150 | L | 84.3 | Confident | 84.6 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 59% | 0.586 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.3 | -32.7 | -179.3 | -72.2 | 172.9 | 0 | 0 | 0 | 112.9 | K146 L147 P154 | K146-L150 WeakPolarHBondContact O-CG 3.25Å; K146-L150 PolarHBondContact O-N 3.28Å; K146-L150 VanDerWaalsContact O-N 3.14Å; L147-L150 PolarHBondContact O-N 3.14Å; L150-P154 WeakPolarHBondContact O-CD 3.4Å; L150-P154 WeakPolarHBondContact O-CG 3.45Å |
| 151 | K | 83.8 | Confident | 84.7 | Confident | 16 Ų | 16 | 56 Ų | 56 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -88.3 | -46.8 | -178.2 | -175.6 | 176.4 | 179.1 | 175.8 | 0 | 112.9 | Y127 L147 L148 R149 L155 E169 F177 | Y127-K151 PolarHBondContact OH-NZ 3.49Å; Y127-K151 VanDerWaalsContact OH-NZ 3.1Å; L147-K151 WeakPolarHBondContact O-CB 3.38Å; L147-K151 PolarHBondContact O-N 3.34Å; L148-K151 PolarHBondContact O-N 3.16Å; R149-K151 PolarHBondContact O-N 3.36Å; K151-L155 HydrophobicContact CG-CD1 3.93Å; K151-L155 VanDerWaalsContact O-CD1 3.28Å; K151-L155 WeakPolarHBondContact O-CD1 3.29Å; K151-L155 WeakPolarHBondContact O-CG 3.15Å; K151-E169 WeakPolarHBondContact CE-OE1 3.41Å; K151-E169 VanDerWaalsContact NZ-CG 3.28Å; K151-E169 IonicContact NZ-OE1 2.67Å; K151-E169 PolarHBondContact NZ-OE1 3.02Å; K151-F177 HydrophobicContact CD-CE2 4.28Å |
| 152 | L | 85.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77.2 | -37.1 | -171.7 | -73 | 164.9 | 0 | 0 | 0 | 112.4 | W115 A124 V128 L148 L155 L156 W166 | W115-L152 HydrophobicContact CH2-CB 3.61Å; W115-L152 HydrophobicContact CH2-CD1 3.85Å; W115-L152 HydrophobicContact CH2-CG 4.35Å; W115-L152 HydrophobicContact CZ3-CB 3.95Å; W115-L152 HydrophobicContact CZ3-CD1 3.61Å; W115-L152 HydrophobicContact CZ3-CG 4.4Å; A124-L152 HydrophobicContact CB-CD2 4.14Å; V128-L152 HydrophobicContact CG2-CD1 3.43Å; V128-L152 VanDerWaalsContact CG2-CD1 3.43Å; L148-L152 HydrophobicContact CB-CD1 4.13Å; L148-L152 HydrophobicContact CD2-CD1 4.03Å; L148-L152 WeakPolarHBondContact O-CB 3.21Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 3.1Å; L152-L156 HydrophobicContact CB-CD1 4.45Å; L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 3.14Å; L152-W166 HydrophobicContact CD2-CH2 3.32Å; L152-W166 HydrophobicContact CD2-CZ2 4.02Å; L152-W166 HydrophobicContact CD2-CZ3 3.68Å |
| 153 | L | 83.1 | Confident | 84.8 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.1 | -52.7 | -178.6 | -67.2 | 172.6 | 0 | 0 | 0 | 111.9 | W115 R149 L155 L156 E157 | W115-L153 HydrophobicContact CZ2-CD1 4.45Å; W115-L153 HydrophobicContact CZ2-CD2 3.62Å; W115-L153 HydrophobicContact CZ2-CG 3.78Å; R149-L153 HydrophobicContact CB-CD1 4.35Å; R149-L153 WeakPolarHBondContact O-CB 3.43Å; R149-L153 VanDerWaalsContact O-CG 3.3Å; R149-L153 WeakPolarHBondContact O-CG 3.42Å; R149-L153 PolarHBondContact O-N 3.19Å; L153-L155 VanDerWaalsContact C-N 3.26Å; L153-L155 PolarHBondContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3.12Å; L153-E157 WeakPolarHBondContact O-CB 3.46Å; L153-E157 WeakPolarHBondContact O-CG 3.49Å; L153-E157 PolarHBondContact O-N 3.05Å |
| 154 | P | 84.3 | Confident | 84.5 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -32.1 | 177.7 | -21.6 | 34.4 | 0 | 0 | 0 | 113.1 | L150 S158 | L150-P154 WeakPolarHBondContact O-CD 3.4Å; L150-P154 WeakPolarHBondContact O-CG 3.45Å; P154-S158 WeakPolarHBondContact O-CB 3.47Å; P154-S158 PolarHBondContact O-N 3.31Å; P154-S158 PolarHBondContact O-OG 3.42Å |
| 155 | L | 86.2 | Confident | 84.5 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.5 | -34.7 | 179.4 | -69.5 | 175.7 | 0 | 0 | 0 | 112.6 | K151 L152 L153 S158 G159 I160 A161 W166 | K151-L155 HydrophobicContact CG-CD1 3.93Å; K151-L155 VanDerWaalsContact O-CD1 3.28Å; K151-L155 WeakPolarHBondContact O-CD1 3.29Å; K151-L155 WeakPolarHBondContact O-CG 3.15Å; L152-L155 PolarHBondContact O-N 3.1Å; L153-L155 VanDerWaalsContact C-N 3.26Å; L153-L155 PolarHBondContact O-N 3.08Å; L155-S158 WeakPolarHBondContact CA-OG 3.35Å; L155-S158 PolarHBondContact O-OG 3.21Å; L155-G159 CarbonylContact O-C 3.58Å; L155-G159 PolarHBondContact O-N 3.11Å; L155-I160 HydrophobicContact CD2-CB 3.96Å; L155-I160 HydrophobicContact CD2-CG2 3.79Å; L155-I160 PolarHBondContact O-N 3.16Å; L155-A161 HydrophobicContact CB-CB 4.12Å; L155-A161 WeakPolarHBondContact O-CB 3.3Å; L155-A161 PolarHBondContact O-N 3.31Å; L155-W166 HydrophobicContact CD1-CH2 3.69Å; L155-W166 HydrophobicContact CD1-CZ2 4.46Å |
| 156 | L | 86.3 | Confident | 84.7 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.4 | -45.8 | 175.1 | -71.5 | 169.8 | 0 | 0 | 0 | 110.5 | M120 L152 L153 S158 G159 A161 | M120-L156 HydrophobicContact CB-CD2 4.31Å; M120-L156 HydrophobicContact CG-CD2 4.21Å; M120-L156 HydrophobicContact SD-CD1 4.47Å; L152-L156 HydrophobicContact CB-CD1 4.45Å; L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 3.14Å; L153-L156 PolarHBondContact O-N 3.12Å; L156-S158 PolarHBondContact O-N 3.29Å; L156-G159 PolarHBondContact O-N 3.15Å; L156-G159 VanDerWaalsContact O-N 3.1Å; L156-A161 HydrophobicContact CD2-CB 3.79Å; L156-A161 HydrophobicContact CG-CB 4.29Å |
| 157 | E | 82.4 | Confident | 84.5 | Confident | 163 Ų | 163 | 65.4 Ų | 65.4 | 76% | 0.762 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 177.3 | -72.7 | 174.7 | -177.7 | 0 | 0 | 112.4 | L153 G159 | L153-E157 WeakPolarHBondContact O-CB 3.46Å; L153-E157 WeakPolarHBondContact O-CG 3.49Å; L153-E157 PolarHBondContact O-N 3.05Å; E157-G159 PolarHBondContact O-N 3.27Å |
| 158 | S | 84.3 | Confident | 84.3 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.5 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | P154 L155 L156 I160 | P154-S158 WeakPolarHBondContact O-CB 3.47Å; P154-S158 PolarHBondContact O-N 3.31Å; P154-S158 PolarHBondContact O-OG 3.42Å; L155-S158 WeakPolarHBondContact CA-OG 3.35Å; L155-S158 PolarHBondContact O-OG 3.21Å; L156-S158 PolarHBondContact O-N 3.29Å; S158-I160 PolarHBondContact O-N 3.18Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-I160 WeakPolarHBondContact OG-CB 3.32Å; S158-I160 WeakPolarHBondContact OG-CD1 3.37Å; S158-I160 VanDerWaalsContact OG-CG1 3.28Å; S158-I160 WeakPolarHBondContact OG-CG1 3.46Å; S158-I160 PolarHBondContact OG-N 3.24Å |
| 159 | G | 84.1 | Confident | 84 | Confident | 24 Ų | 24 | 71 Ų | 71 | 25% | 0.247 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 4.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L155 L156 E157 A161 W162 | L155-G159 CarbonylContact O-C 3.58Å; L155-G159 PolarHBondContact O-N 3.11Å; L156-G159 PolarHBondContact O-N 3.15Å; L156-G159 VanDerWaalsContact O-N 3.1Å; E157-G159 PolarHBondContact O-N 3.27Å; G159-A161 PolarHBondContact O-N 2.98Å; G159-W162 PolarHBondContact O-N 3.05Å |
| 160 | I | 83.3 | Confident | 83.9 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -65.3 | -28.8 | 177.6 | -63.7 | 171.4 | 0 | 0 | 0 | 110.5 | L155 S158 W162 R163 M164 | L155-I160 HydrophobicContact CD2-CB 3.96Å; L155-I160 HydrophobicContact CD2-CG2 3.79Å; L155-I160 PolarHBondContact O-N 3.16Å; S158-I160 PolarHBondContact O-N 3.18Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-I160 WeakPolarHBondContact OG-CB 3.32Å; S158-I160 WeakPolarHBondContact OG-CD1 3.37Å; S158-I160 VanDerWaalsContact OG-CG1 3.28Å; S158-I160 WeakPolarHBondContact OG-CG1 3.46Å; S158-I160 PolarHBondContact OG-N 3.24Å; I160-W162 PolarHBondContact O-N 3.27Å; I160-R163 WeakPolarHBondContact O-CA 3.45Å; I160-R163 PolarHBondContact O-N 2.88Å; I160-M164 HydrophobicContact CG2-CG 4.07Å; I160-M164 HydrophobicContact CG2-SD 4.26Å; I160-M164 PolarHBondContact O-N 3.45Å |
| 161 | A | 83.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -51.4 | -33.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P121 L155 L156 G159 R163 W166 | P121-A161 HydrophobicContact CG-CB 4.08Å; L155-A161 HydrophobicContact CB-CB 4.12Å; L155-A161 WeakPolarHBondContact O-CB 3.3Å; L155-A161 PolarHBondContact O-N 3.31Å; L156-A161 HydrophobicContact CD2-CB 3.79Å; L156-A161 HydrophobicContact CG-CB 4.29Å; G159-A161 PolarHBondContact O-N 2.98Å; A161-R163 VanDerWaalsContact C-N 3.26Å; A161-R163 PolarHBondContact O-N 3.29Å; A161-W166 HydrophobicContact CB-CZ2 3.77Å; A161-W166 PolarHBondContact O-NE1 2.98Å |
| 162 | W | 84.5 | Confident | 83.1 | Confident | 163 Ų | 163 | 65.4 Ų | 65.4 | 62% | 0.617 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -73.3 | -16.4 | 178.8 | -63.5 | 91.3 | 0 | 0 | 0 | 114.1 | P121 G159 I160 | P121-W162 HydrophobicContact CB-CD2 4.03Å; P121-W162 HydrophobicContact CB-CE3 3.72Å; P121-W162 HydrophobicContact CB-CH2 4.33Å; P121-W162 HydrophobicContact CB-CZ3 3.88Å; P121-W162 HydrophobicContact CG-CD2 4.27Å; P121-W162 HydrophobicContact CG-CE3 4.45Å; G159-W162 PolarHBondContact O-N 3.05Å; I160-W162 PolarHBondContact O-N 3.27Å |
| 163 | R | 84.5 | Confident | 82.2 | Confident | 204 Ų | 204 | 68.8 Ų | 68.8 | 77% | 0.77 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -105.2 | -6.4 | -179.2 | -67.6 | -174.2 | -88.5 | -133.3 | -2.1 | 113.2 | I160 A161 | I160-R163 WeakPolarHBondContact O-CA 3.45Å; I160-R163 PolarHBondContact O-N 2.88Å; A161-R163 VanDerWaalsContact C-N 3.26Å; A161-R163 PolarHBondContact O-N 3.29Å |
| 164 | M | 82 | Confident | 81.3 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 29% | 0.286 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -79.8 | 137.9 | 178.6 | -71.2 | -64.7 | -68.1 | 0 | 0 | 111 | I160 W166 | I160-M164 HydrophobicContact CG2-CG 4.07Å; I160-M164 HydrophobicContact CG2-SD 4.26Å; I160-M164 PolarHBondContact O-N 3.45Å; M164-W166 HydrophobicContact CB-CD2 4.19Å; M164-W166 HydrophobicContact CB-CZ2 3.93Å; M164-W166 HydrophobicContact CG-CZ2 4.29Å; M164-W166 VanDerWaalsContact O-CD1 3.27Å; M164-W166 PolarHBondContact O-N 3.05Å; M164-W166 VanDerWaalsContact O-N 3.14Å |
| 165 | N | 84.9 | Confident | 80 | Confident | 96 Ų | 96 | 73.1 Ų | 73.1 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | trans | -87 | 80.1 | 172.3 | -164.3 | -4.4 | 0 | 0 | 0 | 110.2 | I167 N168 E169 | N165-I167 PolarHBondContact O-N 3.5Å; N165-I167 VanDerWaalsContact O-N 3.1Å; N165-N168 PolarHBondContact ND2-ND2 3.09Å; N165-N168 PolarHBondContact O-N 3.48Å; N165-N168 VanDerWaalsContact O-N 3.07Å; N165-E169 PolarHBondContact O-N 2.94Å | ||
| 166 | W | 89 | Confident | 78.8 | Confident | 8 Ų | 8 | 75 Ų | 75 | 3% | 0.03 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.9 | -175.9 | -64.3 | 104.9 | 0 | 0 | 0 | 114.9 | G123 A124 Y127 R130 L152 L155 A161 M164 N168 | G123-W166 VanDerWaalsContact C-CD1 3.48Å; G123-W166 WeakPolarHBondContact O-CB 3.31Å; A124-W166 HydrophobicContact CB-CD2 3.9Å; A124-W166 HydrophobicContact CB-CE3 4.45Å; A124-W166 HydrophobicContact CB-CG 4.29Å; A124-W166 HydrophobicContact CB-CH2 4.45Å; A124-W166 HydrophobicContact CB-CZ2 3.87Å; A124-W166 VanDerWaalsContact N-CD1 3.33Å; Y127-W166 HydrophobicContact CD1-CE3 4.08Å; Y127-W166 HydrophobicContact CD1-CZ3 4.15Å; Y127-W166 HydrophobicContact CD2-CE3 4.13Å; Y127-W166 HydrophobicContact CE1-CZ3 4.47Å; Y127-W166 AromaticContact CG-CE3 3.77Å; Y127-W166 HydrophobicContact CG-CE3 3.77Å; Y127-W166 HydrophobicContact CG-CZ3 4.31Å; R130-W166 PolarHBondContact NH2-O 3.49Å; L152-W166 HydrophobicContact CD2-CH2 3.32Å; L152-W166 HydrophobicContact CD2-CZ2 4.02Å; L152-W166 HydrophobicContact CD2-CZ3 3.68Å; L155-W166 HydrophobicContact CD1-CH2 3.69Å; L155-W166 HydrophobicContact CD1-CZ2 4.46Å; A161-W166 HydrophobicContact CB-CZ2 3.77Å; A161-W166 PolarHBondContact O-NE1 2.98Å; M164-W166 HydrophobicContact CB-CD2 4.19Å; M164-W166 HydrophobicContact CB-CZ2 3.93Å; M164-W166 HydrophobicContact CG-CZ2 4.29Å; M164-W166 VanDerWaalsContact O-CD1 3.27Å; M164-W166 PolarHBondContact O-N 3.05Å; M164-W166 VanDerWaalsContact O-N 3.14Å; W166-N168 VanDerWaalsContact C-N 3.29Å; W166-N168 PolarHBondContact O-N 3.42Å |
| 167 | I | 81.5 | Confident | 77.6 | Confident | 114 Ų | 114 | 75.1 Ų | 75.1 | 59% | 0.585 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -37.8 | 178.5 | -61.7 | 172.1 | 0 | 0 | 0 | 110.5 | R130 N165 | R130-I167 PolarHBondContact NH1-O 3.31Å; N165-I167 PolarHBondContact O-N 3.5Å; N165-I167 VanDerWaalsContact O-N 3.1Å |
| 168 | N | 82 | Confident | 76.5 | Confident | 123 Ų | 123 | 76 Ų | 76 | 66% | 0.658 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -5.3 | -175.1 | -65.6 | -8.7 | 0 | 0 | 0 | 113.6 | N165 W166 | N165-N168 PolarHBondContact ND2-ND2 3.09Å; N165-N168 PolarHBondContact O-N 3.48Å; N165-N168 VanDerWaalsContact O-N 3.07Å; W166-N168 VanDerWaalsContact C-N 3.29Å; W166-N168 PolarHBondContact O-N 3.42Å |
| 169 | E | 81.6 | Confident | 75.2 | Confident | 46 Ų | 46 | 77.2 Ų | 77.2 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -71.2 | 131.8 | -177.2 | -170.8 | 65.7 | -170.3 | 0 | 0 | 110.2 | Y127 R130 K151 N165 | Y127-E169 HydrophobicContact CD2-CB 3.96Å; Y127-E169 HydrophobicContact CD2-CG 4.27Å; Y127-E169 HydrophobicContact CE2-CB 3.62Å; Y127-E169 HydrophobicContact CE2-CG 3.56Å; R130-E169 PolarHBondContact NH2-O 3.48Å; K151-E169 WeakPolarHBondContact CE-OE1 3.41Å; K151-E169 VanDerWaalsContact NZ-CG 3.28Å; K151-E169 IonicContact NZ-OE1 2.67Å; K151-E169 PolarHBondContact NZ-OE1 3.02Å; N165-E169 PolarHBondContact O-N 2.94Å |
| 170 | P | 81 | Confident | 73.8 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 27% | 0.266 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 145.7 | 178.1 | 26.7 | -34.5 | 0 | 0 | 0 | 110.9 | Y127 D174 | Y127-P170 WeakPolarHBondContact CE2-O 3.32Å; Y127-P170 PolarHBondContact OH-O 3.45Å; P170-D174 HydrophobicContact CB-CB 4.41Å |
| 171 | L | 80 | Confident | 72.3 | Confident | 11 Ų | 11 | 81.5 Ų | 81.5 | 6% | 0.058 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 153.2 | 179.4 | -67.8 | 171 | 0 | 0 | 0 | 110.7 | Y127 R130 A131 C134 T173 D174 F177 | Y127-L171 HydrophobicContact CD2-CD2 4.3Å; Y127-L171 HydrophobicContact CE2-CD2 4.01Å; R130-L171 HydrophobicContact CB-CD2 4.1Å; R130-L171 HydrophobicContact CG-CD1 3.65Å; R130-L171 HydrophobicContact CG-CD2 3.99Å; R130-L171 HydrophobicContact CG-CG 4.33Å; R130-L171 VanDerWaalsContact NE-CD2 3.27Å; A131-L171 HydrophobicContact CB-CD2 3.82Å; C134-L171 WeakPolarHBondContact SG-CD1 3.34Å; L171-T173 PolarHBondContact O-N 3.29Å; L171-D174 PolarHBondContact N-OD2 3.1Å; L171-D174 WeakPolarHBondContact O-CB 3.29Å; L171-D174 PolarHBondContact O-N 2.73Å; L171-F177 WeakPolarHBondContact O-CB 3.37Å |
| 172 | P | 71 | Confident | 70.7 | Confident | 16 Ų | 16 | 87.5 Ų | 87.5 | 10% | 0.104 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -23.9 | 176.8 | -25.2 | 35.7 | 0 | 0 | 0 | 114.4 | A131 I144 L147 L148 F177 | A131-P172 HydrophobicContact CB-CG 4.41Å; I144-P172 HydrophobicContact CG1-CB 4.38Å; I144-P172 HydrophobicContact CG2-CG 4.43Å; L147-P172 HydrophobicContact CB-CB 4.18Å; L147-P172 HydrophobicContact CB-CG 4.49Å; L147-P172 HydrophobicContact CD1-CB 3.79Å; L148-P172 HydrophobicContact CD2-CG 4.23Å; L148-P172 HydrophobicContact CG-CG 4.49Å; P172-F177 HydrophobicContact CB-CD2 4.49Å; P172-F177 HydrophobicContact CB-CE1 4.43Å; P172-F177 HydrophobicContact CB-CE2 4.28Å; P172-F177 HydrophobicContact CB-CZ 4.25Å; P172-F177 HydrophobicContact CG-CE2 4.16Å; P172-F177 HydrophobicContact CG-CZ 4.38Å |
| 173 | T | 66.8 | Low | 69.1 | Low | 71 Ų | 71 | 86.5 Ų | 86.5 | 44% | 0.436 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -17.4 | 177.6 | -38.8 | 0 | 0 | 0 | 0 | 113.3 | C134 I144 L171 | C134-T173 HydrophobicContact CB-CG2 4.5Å; I144-T173 WeakPolarHBondContact CD1-OG1 3.47Å; L171-T173 PolarHBondContact O-N 3.29Å |
| 174 | D | 63.7 | Low | 67.6 | Low | 69 Ų | 69 | 80.1 Ų | 80.1 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -73.2 | 139.5 | -177.8 | -72.5 | -37.3 | 0 | 0 | 0 | 110.8 | P170 L171 A176 F177 | P170-D174 HydrophobicContact CB-CB 4.41Å; L171-D174 PolarHBondContact N-OD2 3.1Å; L171-D174 WeakPolarHBondContact O-CB 3.29Å; L171-D174 PolarHBondContact O-N 2.73Å; D174-A176 PolarHBondContact O-N 3.27Å; D174-F177 WeakPolarHBondContact O-CB 3.22Å; D174-F177 PolarHBondContact O-N 3.37Å |
| 175 | P | 57.9 | Low | 66.1 | Low | 137 Ų | 137 | 88.2 Ų | 88.2 | 89% | 0.89 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.1 | 175.4 | 26.9 | -35.2 | 0 | 0 | 0 | 113.1 | F177 | P175-F177 VanDerWaalsContact C-N 3.32Š|
| 176 | A | 60.9 | Low | 65.2 | Low | 68 Ų | 68 | 87.9 Ų | 87.9 | 56% | 0.562 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D174 K178 | D174-A176 PolarHBondContact O-N 3.27Å; A176-K178 PolarHBondContact O-N 3Å |
| 177 | F | 60.8 | Low | 63.5 | Low | 34 Ų | 34 | 91 Ų | 91 | 15% | 0.149 | 51% | 0.514 | C | S | . | . | trans | -69.5 | 102.8 | 179.6 | -173.4 | -102.8 | 0 | 0 | 0 | 110.8 | L147 K151 L171 P172 D174 P175 L179 | L147-F177 HydrophobicContact CD1-CE1 4.21Å; L147-F177 HydrophobicContact CD2-CE1 4.17Å; K151-F177 HydrophobicContact CD-CE2 4.28Å; L171-F177 WeakPolarHBondContact O-CB 3.37Å; P172-F177 HydrophobicContact CB-CD2 4.49Å; P172-F177 HydrophobicContact CB-CE1 4.43Å; P172-F177 HydrophobicContact CB-CE2 4.28Å; P172-F177 HydrophobicContact CB-CZ 4.25Å; P172-F177 HydrophobicContact CG-CE2 4.16Å; P172-F177 HydrophobicContact CG-CZ 4.38Å; D174-F177 WeakPolarHBondContact O-CB 3.22Å; D174-F177 PolarHBondContact O-N 3.37Å; P175-F177 VanDerWaalsContact C-N 3.32Å; F177-L179 HydrophobicContact CE1-CD2 3.64Å; F177-L179 HydrophobicContact CE1-CG 3.65Å; F177-L179 HydrophobicContact CZ-CD2 3.58Å; F177-L179 HydrophobicContact CZ-CG 4.11Å | ||
| 178 | K | 59.6 | Low | 62.6 | Low | 181 Ų | 181 | 89.2 Ų | 89.2 | 79% | 0.787 | 52% | 0.517 | S | S | * | . | trans | -107.9 | 116.1 | 167.6 | -65.2 | -179.4 | -178.2 | 179.9 | 0 | 107 | A176 P180 | A176-K178 PolarHBondContact O-N 3Å; K178-P180 WeakPolarHBondContact O-CD 3.48Å | ||
| 179 | L | 56.9 | Low | 62 | Low | 85 Ų | 85 | 86.8 Ų | 86.8 | 45% | 0.445 | 51% | 0.513 | S | S | . | . | trans | -56.3 | 124 | 167.3 | -74.5 | 166.5 | 0 | 0 | 0 | 107.3 | L147 F177 S181 | L147-L179 HydrophobicContact CD2-CD1 4.06Å; L147-L179 HydrophobicContact CD2-CD2 4.3Å; F177-L179 HydrophobicContact CE1-CD2 3.64Å; F177-L179 HydrophobicContact CE1-CG 3.65Å; F177-L179 HydrophobicContact CZ-CD2 3.58Å; F177-L179 HydrophobicContact CZ-CG 4.11Å; L179-S181 PolarHBondContact O-N 2.99Å | ||
| 180 | P | 54.5 | Low | 61 | Low | 93 Ų | 93 | 87.3 Ų | 87.3 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | trans | -58.4 | 115.6 | 161.9 | 24.8 | -29.1 | 0 | 0 | 0 | 104.9 | K178 S182 | K178-P180 WeakPolarHBondContact O-CD 3.48Å; P180-S182 PolarHBondContact O-N 2.76Å | ||
| 181 | S | 50.4 | Low | 60.1 | Low | 94 Ų | 94 | 90.4 Ų | 90.4 | 66% | 0.657 | 53% | 0.531 | S | S | * | . | trans | -47.7 | 118.1 | 174.6 | -54.3 | 0 | 0 | 0 | 0 | 105.9 | L179 N183 A184 | L179-S181 PolarHBondContact O-N 2.99Å; S181-N183 PolarHBondContact O-N 3.21Å; S181-A184 WeakPolarHBondContact O-CB 3.4Å; S181-A184 PolarHBondContact O-N 2.77Å | ||
| 182 | S | 51.6 | Low | 59.3 | Low | 125 Ų | 125 | 98.8 Ų | 98.8 | 87% | 0.874 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 19 | -165.4 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | P180 | P180-S182 PolarHBondContact O-N 2.76Š|
| 183 | N | 50.5 | Low | 58.9 | Low | 143 Ų | 143 | 105.5 Ų | 105.5 | 77% | 0.765 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.2 | 15.3 | 173.5 | -109.4 | -4.1 | 0 | 0 | 0 | 113.6 | S181 W185 | S181-N183 PolarHBondContact O-N 3.21Å; N183-W185 PolarHBondContact O-N 3.31Å |
| 184 | A | 53.4 | Low | 58.4 | Low | 70 Ų | 70 | 107 Ų | 107 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | trans | -75.5 | 74.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S181 I186 | S181-A184 WeakPolarHBondContact O-CB 3.4Å; S181-A184 PolarHBondContact O-N 2.77Å; A184-I186 PolarHBondContact O-N 2.97Å | ||
| 185 | W | 51.1 | Low | 58.1 | Low | 228 Ų | 228 | 109.3 Ų | 109.3 | 86% | 0.864 | 62% | 0.619 | S | S | * | * | trans | -53.4 | 106.9 | 154.5 | -81 | 70.5 | 0 | 0 | 0 | 106.9 | N183 P187 | N183-W185 PolarHBondContact O-N 3.31Å; W185-P187 WeakPolarHBondContact O-CD 3.42Å; W185-P187 VanDerWaalsContact O-N 3.08Å | ||
| 186 | I | 65.4 | Low | 58 | Low | 89 Ų | 89 | 113.9 Ų | 113.9 | 46% | 0.456 | 62% | 0.618 | S | S | . | * | trans | -64 | 110.1 | 167.1 | -59.1 | 173.7 | 0 | 0 | 0 | 104.5 | A184 A188 D190 L191 L194 | A184-I186 PolarHBondContact O-N 2.97Å; I186-A188 PolarHBondContact O-N 3.27Å; I186-D190 HydrophobicContact CG2-CB 3.79Å; I186-L191 HydrophobicContact CG2-CD2 4.31Å; I186-L191 HydrophobicContact CG2-CG 4.21Å; I186-L194 HydrophobicContact CD1-CD1 4.44Å | ||
| 187 | P | 53.9 | Low | 57.7 | Low | 72 Ų | 72 | 116.2 Ų | 116.2 | 47% | 0.468 | 63% | 0.627 | S | S | . | * | trans | -55 | 142.3 | 176.7 | -19.9 | 32.8 | 0 | 0 | 0 | 107.4 | W185 A189 D190 | W185-P187 WeakPolarHBondContact O-CD 3.42Å; W185-P187 VanDerWaalsContact O-N 3.08Å; P187-A189 PolarHBondContact O-N 3.49Å; P187-D190 PolarHBondContact O-N 3.13Å | ||
| 188 | A | 62.1 | Low | 57 | Low | 78 Ų | 78 | 119 Ų | 119 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -21.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I186 D190 L191 | I186-A188 PolarHBondContact O-N 3.27Å; A188-D190 VanDerWaalsContact C-N 3.33Å; A188-D190 PolarHBondContact O-N 3.12Å; A188-L191 HydrophobicContact CB-CD1 4.34Å |
| 189 | A | 68.2 | Low | 56.6 | Low | 71 Ų | 71 | 118.8 Ų | 118.8 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -33.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P187 | P187-A189 PolarHBondContact O-N 3.49Š|
| 190 | D | 62.3 | Low | 56 | Low | 58 Ų | 58 | 125.3 Ų | 125.3 | 31% | 0.31 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.9 | -11.6 | -176.3 | -69.6 | -34.9 | 0 | 0 | 0 | 113.5 | I186 P187 A188 K192 K193 | I186-D190 HydrophobicContact CG2-CB 3.79Å; P187-D190 PolarHBondContact O-N 3.13Å; A188-D190 VanDerWaalsContact C-N 3.33Å; A188-D190 PolarHBondContact O-N 3.12Å; D190-K192 PolarHBondContact O-N 3.4Å; D190-K192 VanDerWaalsContact O-N 3.09Å; D190-K193 PolarHBondContact O-N 3.03Å; D190-K193 WeakPolarHBondContact OD1-CE 3.43Å; D190-K193 IonicContact OD1-NZ 2.76Å; D190-K193 PolarHBondContact OD1-NZ 2.8Å |
| 191 | L | 61.2 | Low | 55.8 | Low | 105 Ų | 105 | 126.6 Ų | 126.6 | 55% | 0.55 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.3 | -24.1 | 170 | -76.1 | 169.4 | 0 | 0 | 0 | 112.9 | I186 A188 K193 | I186-L191 HydrophobicContact CG2-CD2 4.31Å; I186-L191 HydrophobicContact CG2-CG 4.21Å; A188-L191 HydrophobicContact CB-CD1 4.34Å; L191-K193 VanDerWaalsContact C-N 3.34Å |
| 192 | K | 64.1 | Low | 55.8 | Low | 187 Ų | 187 | 130.5 Ų | 130.5 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -12.7 | 179.1 | -62 | -178.8 | -177.8 | 177.1 | 0 | 113.6 | D190 | D190-K192 PolarHBondContact O-N 3.4Å; D190-K192 VanDerWaalsContact O-N 3.09Å |
| 193 | K | 62.2 | Low | 55.5 | Low | 157 Ų | 157 | 134.4 Ų | 134.4 | 68% | 0.683 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -98.1 | -7.9 | -176.2 | -61.9 | 177.2 | -173.3 | 159.8 | 0 | 113.4 | D190 L191 | D190-K193 PolarHBondContact O-N 3.03Å; D190-K193 WeakPolarHBondContact OD1-CE 3.43Å; D190-K193 IonicContact OD1-NZ 2.76Å; D190-K193 PolarHBondContact OD1-NZ 2.8Å; L191-K193 VanDerWaalsContact C-N 3.34Å |
| 194 | L | 55.6 | Low | 55.4 | Low | 103 Ų | 103 | 135.8 Ų | 135.8 | 54% | 0.539 | 70% | 0.699 | S | S | . | * | S | Bend | trans | -70.8 | 128.1 | 172.4 | -67.6 | 173.5 | 0 | 0 | 0 | 109 | I186 R196 | I186-L194 HydrophobicContact CD1-CD1 4.44Å; L194-R196 PolarHBondContact O-N 2.91Å |
| 195 | P | 57.4 | Low | 55 | Low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | trans | -62.1 | 102.2 | 173 | 24 | -29.7 | 0 | 0 | 0 | 107.7 | P197 | P195-P197 VanDerWaalsContact O-CD 3.25Å; P195-P197 WeakPolarHBondContact O-CD 3.16Å; P195-P197 VanDerWaalsContact O-N 3.15Å | ||
| 196 | R | 55.3 | Low | 54.7 | Low | 232 Ų | 232 | 131.6 Ų | 131.6 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | trans | -55.7 | 121.1 | 168.6 | -91 | -171.4 | -173.2 | -148 | 0.8 | 106.9 | L194 S198 | L194-R196 PolarHBondContact O-N 2.91Å; R196-S198 PolarHBondContact O-N 3.38Å | ||
| 197 | P | 55 | Low | 53.8 | Low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | -58 | 112.3 | 161.2 | 23.7 | -29.2 | 0 | 0 | 0 | 106.3 | P195 L199 | P195-P197 VanDerWaalsContact O-CD 3.25Å; P195-P197 WeakPolarHBondContact O-CD 3.16Å; P195-P197 VanDerWaalsContact O-N 3.15Å; P197-L199 PolarHBondContact O-N 3.33Å | ||
| 198 | S | 45.7 | Very low | 53.8 | Low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | -59 | 96.2 | -179 | 166.7 | 0 | 0 | 0 | 0 | 108.9 | R196 R200 | R196-S198 PolarHBondContact O-N 3.38Å; S198-R200 PolarHBondContact O-N 3.13Å; S198-R200 WeakPolarHBondContact OG-CB 3.26Å | ||
| 199 | L | 52.3 | Low | 53.3 | Low | 176 Ų | 176 | 143.1 Ų | 143.1 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | trans | -66.4 | 76.4 | 161.9 | -73.2 | 169.2 | 0 | 0 | 0 | 107.9 | P197 | P197-L199 PolarHBondContact O-N 3.33Š| ||
| 200 | R | 43.7 | Very low | 52.9 | Low | 222 Ų | 222 | 146.3 Ų | 146.3 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -103.8 | 84.7 | 175.2 | -163.1 | -179 | -161.5 | -173.9 | 5.6 | 107.1 | S198 | S198-R200 PolarHBondContact O-N 3.13Å; S198-R200 WeakPolarHBondContact OG-CB 3.26Å | ||
| 201 | T | 50.1 | Low | 52.6 | Low | 120 Ų | 120 | 153.5 Ų | 153.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -131.5 | 101 | 161.8 | 39.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 202 | Q | 51.3 | Low | 52 | Low | 175 Ų | 175 | 152.2 Ų | 152.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 71 | 88.7 | 144.2 | -49.6 | -165.1 | 17.5 | 0 | 0 | 119.2 | ||||
| 203 | K | 44.1 | Very low | 51.5 | Low | 208 Ų | 208 | 152.9 Ų | 152.9 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | 38.1 | 88.8 | 118.7 | -162.4 | 173.5 | -177 | 180 | 0 | 116.5 | |||||
| 204 | L | 49.9 | Very low | 50.9 | Low | 172 Ų | 172 | 148.6 Ų | 148.6 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -133.1 | 119.4 | 153.1 | -72.7 | 174.5 | 0 | 0 | 0 | 109.1 | ||||
| 205 | G | 44.9 | Very low | 50.8 | Low | 67 Ų | 67 | 151.2 Ų | 151.2 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | -71.2 | 160.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 206 | C | 44.8 | Very low | 50.4 | Low | 143 Ų | 143 | 155.7 Ų | 155.7 | 97% | 0.966 | 82% | 0.824 | S | S | * | * | trans | 36.3 | 97 | 153.2 | -56.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 207 | G | 45.5 | Very low | 50.3 | Low | 77 Ų | 77 | 150.6 Ų | 150.6 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -154.2 | 104.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 208 | R | 54.1 | Low | 50 | Low | 234 Ų | 234 | 157.1 Ų | 157.1 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -41.5 | 142.6 | 179.3 | -84.5 | 167.6 | 166.8 | 144.3 | -3.4 | 115.8 | I210 | R208-I210 HydrophobicContact CB-CG1 4.48Š| ||
| 209 | N | 51 | Low | 50.5 | Low | 169 Ų | 169 | 158 Ų | 158 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | trans | -64.8 | 130.6 | 157.6 | -67.8 | -39.1 | 0 | 0 | 0 | 110.6 | ||||
| 210 | I | 61.2 | Low | 50.5 | Low | 139 Ų | 139 | 156.1 Ų | 156.1 | 71% | 0.713 | 84% | 0.838 | S | S | * | * | trans | -121.5 | -3.2 | -179.3 | -55.7 | 176.8 | 0 | 0 | 0 | 113.1 | R208 | R208-I210 HydrophobicContact CB-CG1 4.48Š| ||
| 211 | F | 55.4 | Low | 51 | Low | 208 Ų | 208 | 150.9 Ų | 150.9 | 91% | 0.912 | 84% | 0.835 | S | S | * | * | trans | -125.1 | 96.7 | -177.9 | -71.8 | -84.5 | 0 | 0 | 0 | 112.6 | ||||
| 212 | G | 49.3 | Very low | 51.1 | Low | 78 Ų | 78 | 150.3 Ų | 150.3 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | 178.2 | 54.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 213 | M | 53.6 | Low | 51.1 | Low | 201 Ų | 201 | 149.5 Ų | 149.5 | 99% | 0.99 | 83% | 0.834 | S | S | * | * | trans | -65.8 | 131.5 | 164.8 | -93.6 | -146.5 | 163.6 | 0 | 0 | 110.3 | ||||
| 214 | G | 49.8 | Very low | 51.8 | Low | 67 Ų | 67 | 146.4 Ų | 146.4 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | 113.3 | 127 | 141.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 215 | Q | 53 | Low | 52 | Low | 159 Ų | 159 | 146.5 Ų | 146.5 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | 88.9 | 83.1 | 159.1 | -54.2 | -69.1 | -37.1 | 0 | 0 | 117.1 | ||||
| 216 | R | 48.2 | Very low | 52.5 | Low | 212 Ų | 212 | 151.6 Ų | 151.6 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | 48.4 | 104.6 | 116.2 | -60.5 | 176.1 | -173.7 | -112.7 | -2.5 | 116.5 | |||||
| 217 | S | 53.4 | Low | 53 | Low | 124 Ų | 124 | 149.6 Ų | 149.6 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | -164.5 | 114.6 | 123.9 | -82.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 218 | R | 49.8 | Very low | 53.4 | Low | 255 Ų | 255 | 158 Ų | 158 | 96% | 0.962 | 83% | 0.827 | S | S | * | * | trans | -70.8 | 124.6 | 172.7 | -66.2 | 175.8 | 173.4 | -163.2 | -3.3 | 107.8 | ||||
| 219 | S | 55.3 | Low | 53.6 | Low | 113 Ų | 113 | 150.5 Ų | 150.5 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -118.5 | 124.8 | 152.3 | 41.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 220 | P | 51.8 | Low | 53.9 | Low | 136 Ų | 136 | 149.3 Ų | 149.3 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -74.7 | 140.4 | -176.6 | -12.7 | 28.3 | 0 | 0 | 0 | 111.9 | ||||
| 221 | S | 54.1 | Low | 53.6 | Low | 112 Ų | 112 | 153.3 Ų | 153.3 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -146.2 | 155.7 | 171.1 | -154.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 222 | P | 53.1 | Low | 53.8 | Low | 108 Ų | 108 | 149 Ų | 149 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | -110 | 162.4 | -73.7 | 31.1 | -18.6 | 0 | 0 | 0 | 111.7 | I224 | P222-I224 PolarHBondContact O-N 3.24Š| |||
| 223 | D | 50.1 | Low | 54.4 | Low | 157 Ų | 157 | 155.4 Ų | 155.4 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -36 | 118.1 | 169.2 | -158.4 | 2.2 | 0 | 0 | 0 | 114.3 | ||||
| 224 | I | 59.4 | Low | 54.8 | Low | 143 Ų | 143 | 154.6 Ų | 154.6 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -161.1 | 111.2 | 159.7 | -91.9 | 136.3 | 0 | 0 | 0 | 109.3 | P222 | P222-I224 PolarHBondContact O-N 3.24Š| ||
| 225 | K | 54.5 | Low | 55.4 | Low | 174 Ų | 174 | 160.3 Ų | 160.3 | 76% | 0.757 | 82% | 0.824 | S | S | * | * | trans | 56.1 | 101.6 | 145.6 | -62 | 178.9 | 178.3 | 179 | 0 | 118.5 | ||||
| 226 | D | 54.7 | Low | 55.9 | Low | 175 Ų | 175 | 162.7 Ų | 162.7 | 94% | 0.936 | 83% | 0.826 | S | S | * | * | trans | -136.2 | 99.8 | 134 | -93.3 | -38.7 | 0 | 0 | 0 | 109.8 | ||||
| 227 | S | 55.1 | Low | 56.4 | Low | 101 Ų | 101 | 160.7 Ų | 160.7 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | trans | -90.3 | 118.8 | 164.2 | -56.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 228 | R | 55.7 | Low | 56.7 | Low | 254 Ų | 254 | 166.1 Ų | 166.1 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | trans | 152.7 | 120.7 | 143.2 | -87.5 | 170.7 | -128.9 | -163.4 | -0.3 | 109.9 | ||||
| 229 | G | 56.5 | Low | 57.3 | Low | 76 Ų | 76 | 162.7 Ų | 162.7 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 145.4 | 69.3 | 160 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 230 | D | 57.3 | Low | 57.6 | Low | 144 Ų | 144 | 164.9 Ų | 164.9 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -48.6 | 137.8 | 152.8 | -85.4 | -63.6 | 0 | 0 | 0 | 110.8 | ||||
| 231 | Y | 55.2 | Low | 58.1 | Low | 223 Ų | 223 | 171.9 Ų | 171.9 | 88% | 0.875 | 84% | 0.838 | S | S | * | * | 165.7 | 124.5 | 122.7 | -84.2 | -65.2 | 0 | 0 | 0 | 109.4 | |||||
| 232 | P | 59.1 | Low | 58.3 | Low | 117 Ų | 117 | 174.9 Ų | 174.9 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | trans | -88.3 | 140.7 | 175.8 | 34.5 | -29.3 | 0 | 0 | 0 | 110.2 | ||||
| 233 | K | 62.2 | Low | 58.6 | Low | 213 Ų | 213 | 178.4 Ų | 178.4 | 93% | 0.926 | 85% | 0.848 | S | S | * | * | trans | -130.7 | 115.2 | 161 | -108.5 | 179.2 | -178.4 | 176.2 | 0 | 110.5 | ||||
| 234 | E | 62.1 | Low | 59.1 | Low | 183 Ų | 183 | 179.6 Ų | 179.6 | 86% | 0.855 | 85% | 0.848 | S | S | * | * | trans | -53.5 | 137.2 | 173.3 | -57.2 | 174.2 | 136.5 | 0 | 0 | 112 | ||||
| 235 | H | 62.2 | Low | 59 | Low | 188 Ų | 188 | 181.8 Ų | 181.8 | 87% | 0.87 | 86% | 0.855 | S | S | * | * | trans | -145.2 | 92.3 | 144.3 | -154.4 | 65.9 | 0 | 0 | 0 | 109.1 | ||||
| 236 | R | 63.1 | Low | 59.3 | Low | 209 Ų | 209 | 182.3 Ų | 182.3 | 79% | 0.789 | 86% | 0.861 | S | S | * | * | trans | -68.4 | 161.7 | 166.6 | -98.5 | 174.4 | 173.3 | 173.9 | -0.4 | 110.2 | ||||
| 237 | Q | 60.5 | Low | 59.6 | Low | 169 Ų | 169 | 182.7 Ų | 182.7 | 79% | 0.79 | 86% | 0.856 | S | S | * | * | trans | 89 | 88.2 | 167.2 | -51.4 | -63.9 | -15 | 0 | 0 | 116.5 | ||||
| 238 | R | 58.7 | Low | 60 | Low | 239 Ų | 239 | 188.6 Ų | 188.6 | 90% | 0.902 | 87% | 0.867 | S | S | * | * | trans | -137.6 | 147.5 | 140.4 | -81.4 | -171.1 | -179.7 | 160.3 | 0.6 | 109.1 | ||||
| 239 | K | 61.7 | Low | 60.3 | Low | 183 Ų | 183 | 183.5 Ų | 183.5 | 80% | 0.796 | 86% | 0.86 | S | S | * | * | trans | 101.7 | 100.2 | 165 | -55.1 | -146.3 | 174.7 | -171 | 0 | 113.4 | ||||
| 240 | L | 62.5 | Low | 60.6 | Low | 158 Ų | 158 | 192.5 Ų | 192.5 | 83% | 0.827 | 87% | 0.866 | S | S | * | * | 80 | 85.9 | 86.5 | -82.7 | 152.6 | 0 | 0 | 0 | 111.3 | |||||
| 241 | K | 62.8 | Low | 60.9 | Low | 284 Ų | 284 | 196.9 Ų | 196.9 | 100% | 1.235 | 88% | 0.875 | S | S | * | * | -171.4 | 0 | 121.1 | -118.7 | 171.3 | 175.8 | 175.6 | 0 | 109.6 |
Retrieved 241 of 241 residues in 177.4 ms
(Link to these results)