| 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 | 27.7 | Very low | 33.8 | Very low | 239 Ų | 239 | 156.1 Ų | 156.1 | 100% | 1.177 | 83% | 0.834 | S | S | * | * | 0 | 127.1 | 0 | -72.2 | 168.4 | 168.5 | 0 | 0 | 107.9 | |||||
| 2 | P | 34 | Very low | 33.5 | Very low | 124 Ų | 124 | 156.7 Ų | 156.7 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | trans | -85 | 150.1 | 174.9 | 34.5 | -32.8 | 0 | 0 | 0 | 111.2 | ||||
| 3 | I | 28.9 | Very low | 33.4 | Very low | 172 Ų | 172 | 153 Ų | 153 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -120.6 | 125.7 | 154.9 | -65.1 | 179.4 | 0 | 0 | 0 | 106.1 | ||||
| 4 | W | 30.8 | Very low | 33.7 | Very low | 238 Ų | 238 | 152.7 Ų | 152.7 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -102.3 | 138.1 | -179.2 | -147.8 | 55.3 | 0 | 0 | 0 | 108.5 | ||||
| 5 | S | 29.7 | Very low | 33.9 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -146.3 | 124.8 | 164.1 | -170.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 6 | P | 45.7 | Very low | 34 | Very low | 84 Ų | 84 | 146 Ų | 146 | 55% | 0.545 | 79% | 0.794 | S | S | . | * | trans | -89.7 | 131.4 | -172.6 | 33.8 | -32.8 | 0 | 0 | 0 | 111.8 | ||||
| 7 | H | 34.8 | Very low | 34.3 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 89% | 0.889 | 79% | 0.79 | S | S | * | * | -171 | 140.1 | 123.6 | -88.6 | -44.7 | 0 | 0 | 0 | 109.8 | R9 | H7-R9 PolarHBondContact O-N 3.49Š| |||
| 8 | G | 45.9 | Very low | 34.5 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -78.8 | 121.7 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 9 | R | 29.9 | Very low | 35 | Very low | 224 Ų | 224 | 141.4 Ų | 141.4 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -154 | 96.7 | 146 | -142.1 | 171.6 | -66.7 | -157 | 2.1 | 110.2 | H7 T11 | H7-R9 PolarHBondContact O-N 3.49Å; R9-T11 VanDerWaalsContact C-N 3.33Å; R9-T11 PolarHBondContact O-N 3.05Å | ||
| 10 | V | 31.3 | Very low | 35.9 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | -79 | 86.6 | 174.4 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | M12 | V10-M12 HydrophobicContact CG1-CB 4.31Å; V10-M12 PolarHBondContact O-N 3.47Å | ||
| 11 | T | 32.6 | Very low | 36.5 | Very low | 119 Ų | 119 | 139 Ų | 139 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -77 | 73.1 | 173.1 | -36.6 | 0 | 0 | 0 | 0 | 109.2 | R9 T13 | R9-T11 VanDerWaalsContact C-N 3.33Å; R9-T11 PolarHBondContact O-N 3.05Å; T11-T13 PolarHBondContact O-N 2.86Å | ||
| 12 | M | 30.3 | Very low | 37.8 | Very low | 163 Ų | 163 | 133 Ų | 133 | 80% | 0.803 | 74% | 0.737 | S | S | * | * | trans | -68.5 | 119.8 | -178.1 | -163.4 | 168.5 | -176.9 | 0 | 0 | 110 | V10 I14 | V10-M12 HydrophobicContact CG1-CB 4.31Å; V10-M12 PolarHBondContact O-N 3.47Å; M12-I14 PolarHBondContact O-N 3.27Å | ||
| 13 | T | 32 | Very low | 38.5 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | trans | -72.9 | 110.3 | -170.4 | 34.5 | 0 | 0 | 0 | 0 | 112.3 | T11 T15 | T11-T13 PolarHBondContact O-N 2.86Å; T13-T15 PolarHBondContact O-N 2.79Å | ||
| 14 | I | 38 | Very low | 39.5 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 60.6 | 175.7 | -44.9 | 177.9 | 0 | 0 | 0 | 110.1 | M12 | M12-I14 PolarHBondContact O-N 3.27Š|
| 15 | T | 36.7 | Very low | 40.4 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 66% | 0.663 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | -7.6 | -179.2 | 49.7 | 0 | 0 | 0 | 0 | 113.8 | T13 | T13-T15 PolarHBondContact O-N 2.79Š|
| 16 | S | 36.1 | Very low | 41.4 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -84.7 | -40.1 | -179.3 | -167.7 | 0 | 0 | 0 | 0 | 113.7 | L18 S19 | S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 3.18Å; S16-S19 PolarHBondContact O-OG 3.23Å |
| 17 | L | 38.2 | Very low | 41.9 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -72.4 | -17.3 | -174.8 | -90.3 | 81.1 | 0 | 0 | 0 | 115 | S19 | L17-S19 PolarHBondContact O-N 2.94Š|
| 18 | L | 39.1 | Very low | 42.6 | Very low | 120 Ų | 120 | 112 Ų | 112 | 63% | 0.628 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -78.9 | 2.2 | -179.8 | -78 | 163.1 | 0 | 0 | 0 | 113.8 | S16 | S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 3.18Å |
| 19 | S | 43.2 | Very low | 43.1 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 64% | 0.643 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -85.5 | -4.9 | -175.6 | 59.6 | 0 | 0 | 0 | 0 | 115.1 | S16 L17 | S16-S19 PolarHBondContact O-OG 3.23Å; L17-S19 PolarHBondContact O-N 2.94Å |
| 20 | Q | 52.4 | Low | 43.9 | Very low | 129 Ų | 129 | 109.2 Ų | 109.2 | 60% | 0.603 | 63% | 0.631 | S | S | * | * | trans | -94.3 | 115.3 | 177.4 | -67.7 | -161.6 | -5.1 | 0 | 0 | 111.9 | V22 L23 | Q20-V22 PolarHBondContact O-N 3.33Å; Q20-L23 PolarHBondContact O-N 3.29Å | ||
| 21 | P | 49.6 | Very low | 44.6 | Very low | 105 Ų | 105 | 108.5 Ų | 108.5 | 68% | 0.682 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.3 | -25.5 | -175.3 | 26.1 | -34.5 | 0 | 0 | 0 | 113.3 | L24 L25 | P21-L24 PolarHBondContact O-N 3.49Å; P21-L25 WeakPolarHBondContact O-CB 3.29Å; P21-L25 PolarHBondContact O-N 2.91Å |
| 22 | V | 54.7 | Low | 45 | Very low | 111 Ų | 111 | 108.4 Ų | 108.4 | 67% | 0.673 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.5 | -44.2 | 178.8 | -176 | 0 | 0 | 0 | 0 | 111.6 | Q20 L25 A26 | Q20-V22 PolarHBondContact O-N 3.33Å; V22-L25 PolarHBondContact O-N 3.39Å; V22-A26 PolarHBondContact O-N 3.48Å |
| 23 | L | 48.7 | Very low | 45.5 | Very low | 96 Ų | 96 | 111.4 Ų | 111.4 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.1 | -39.5 | -179.6 | -174.5 | 65.1 | 0 | 0 | 0 | 111.4 | Q20 L25 A26 V27 | Q20-L23 PolarHBondContact O-N 3.29Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 3.24Å; L23-A26 PolarHBondContact O-N 3.15Å; L23-V27 WeakPolarHBondContact O-CB 3.43Å; L23-V27 WeakPolarHBondContact O-CG2 3.31Å; L23-V27 PolarHBondContact O-N 3.33Å |
| 24 | L | 50.2 | Low | 45.9 | Very low | 100 Ų | 100 | 109.9 Ų | 109.9 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.4 | -37 | 177.5 | -123.5 | 155.7 | 0 | 0 | 0 | 111.7 | P21 A28 | P21-L24 PolarHBondContact O-N 3.49Å; L24-A28 VanDerWaalsContact O-CB 3.29Å; L24-A28 WeakPolarHBondContact O-CB 3.5Å; L24-A28 PolarHBondContact O-N 3.44Å |
| 25 | L | 48.5 | Very low | 45.6 | Very low | 126 Ų | 126 | 106 Ų | 106 | 66% | 0.66 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.9 | -44.6 | 174.3 | -156.1 | 76.9 | 0 | 0 | 0 | 112 | P21 V22 L23 A28 V29 | P21-L25 WeakPolarHBondContact O-CB 3.29Å; P21-L25 PolarHBondContact O-N 2.91Å; V22-L25 PolarHBondContact O-N 3.39Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 3.24Å; L25-A28 PolarHBondContact O-N 3.28Å; L25-V29 WeakPolarHBondContact O-CG2 3.21Å; L25-V29 PolarHBondContact O-N 3.33Å |
| 26 | A | 52.2 | Low | 45.4 | Very low | 49 Ų | 49 | 109.6 Ų | 109.6 | 41% | 0.405 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.2 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V22 L23 V29 L30 | V22-A26 PolarHBondContact O-N 3.48Å; L23-A26 PolarHBondContact O-N 3.15Å; A26-V29 PolarHBondContact O-N 3.23Å; A26-L30 WeakPolarHBondContact O-CG 3.35Å; A26-L30 PolarHBondContact O-N 2.89Å; A26-L30 VanDerWaalsContact O-N 3.13Å |
| 27 | V | 55.4 | Low | 45 | Very low | 67 Ų | 67 | 111.5 Ų | 111.5 | 41% | 0.406 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67 | -37.4 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L23 L30 L31 | L23-V27 WeakPolarHBondContact O-CB 3.43Å; L23-V27 WeakPolarHBondContact O-CG2 3.31Å; L23-V27 PolarHBondContact O-N 3.33Å; V27-L30 PolarHBondContact O-N 3.37Å; V27-L31 HydrophobicContact CG1-CD1 3.68Å; V27-L31 HydrophobicContact CG1-CG 4.21Å; V27-L31 WeakPolarHBondContact O-CB 3.34Å; V27-L31 WeakPolarHBondContact O-CG 3.45Å; V27-L31 PolarHBondContact O-N 2.87Å |
| 28 | A | 50.5 | Low | 44.6 | Very low | 43 Ų | 43 | 110.9 Ų | 110.9 | 36% | 0.355 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.5 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L24 L25 L30 L31 C32 | L24-A28 VanDerWaalsContact O-CB 3.29Å; L24-A28 WeakPolarHBondContact O-CB 3.5Å; L24-A28 PolarHBondContact O-N 3.44Å; L25-A28 PolarHBondContact O-N 3.28Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-L30 PolarHBondContact O-N 3.27Å; A28-L31 PolarHBondContact O-N 3.01Å; A28-C32 WeakPolarHBondContact O-CB 3.5Å; A28-C32 PolarHBondContact O-N 3.37Å; A28-C32 PolarHBondContact O-SG 3.5Å |
| 29 | V | 54.4 | Low | 44 | Very low | 108 Ų | 108 | 111 Ų | 111 | 66% | 0.655 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.3 | -37.6 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L25 A26 | L25-V29 WeakPolarHBondContact O-CG2 3.21Å; L25-V29 PolarHBondContact O-N 3.33Å; A26-V29 PolarHBondContact O-N 3.23Å |
| 30 | L | 48.6 | Very low | 43.2 | Very low | 135 Ų | 135 | 115.1 Ų | 115.1 | 71% | 0.707 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.9 | -41.6 | 175.6 | -73.5 | 166.9 | 0 | 0 | 0 | 112.8 | A26 V27 A28 | A26-L30 WeakPolarHBondContact O-CG 3.35Å; A26-L30 PolarHBondContact O-N 2.89Å; A26-L30 VanDerWaalsContact O-N 3.13Å; V27-L30 PolarHBondContact O-N 3.37Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-L30 PolarHBondContact O-N 3.27Å |
| 31 | L | 45.8 | Very low | 42.2 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -76 | -32.8 | -178.2 | -70 | 175.1 | 0 | 0 | 0 | 113.5 | V27 A28 R33 A34 | V27-L31 HydrophobicContact CG1-CD1 3.68Å; V27-L31 HydrophobicContact CG1-CG 4.21Å; V27-L31 WeakPolarHBondContact O-CB 3.34Å; V27-L31 WeakPolarHBondContact O-CG 3.45Å; V27-L31 PolarHBondContact O-N 2.87Å; A28-L31 PolarHBondContact O-N 3.01Å; L31-R33 PolarHBondContact O-N 3.5Å; L31-A34 PolarHBondContact O-N 2.98Å; L31-A34 VanDerWaalsContact O-N 3.09Å |
| 32 | C | 40.3 | Very low | 41.3 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 78% | 0.784 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -10.5 | -179.3 | -79.2 | 0 | 0 | 0 | 0 | 114.8 | A28 | A28-C32 WeakPolarHBondContact O-CB 3.5Å; A28-C32 PolarHBondContact O-N 3.37Å; A28-C32 PolarHBondContact O-SG 3.5Å |
| 33 | R | 41.8 | Very low | 40.4 | Very low | 226 Ų | 226 | 118.9 Ų | 118.9 | 85% | 0.853 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -4.4 | 175.8 | -136.2 | 173.1 | -172.3 | 167.8 | 1.6 | 114 | L31 G35 | L31-R33 PolarHBondContact O-N 3.5Å; R33-G35 PolarHBondContact O-N 3.01Å |
| 34 | A | 38.8 | Very low | 40.1 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | trans | -94 | 47 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L31 Q36 | L31-A34 PolarHBondContact O-N 2.98Å; L31-A34 VanDerWaalsContact O-N 3.09Å; A34-Q36 PolarHBondContact O-N 3.31Å | ||
| 35 | G | 32.3 | Very low | 39.6 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 69% | 0.693 | S | S | * | * | trans | -71.8 | 120.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R33 V37 | R33-G35 PolarHBondContact O-N 3.01Å; G35-V37 PolarHBondContact O-N 3.25Å | ||
| 36 | Q | 32.4 | Very low | 39.6 | Very low | 185 Ų | 185 | 121 Ų | 121 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -67.9 | 124.9 | -176.2 | -64.4 | 178.1 | -83.3 | 0 | 0 | 112.1 | A34 | A34-Q36 PolarHBondContact O-N 3.31Š| ||
| 37 | V | 28.3 | Very low | 39.9 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 79% | 0.788 | 69% | 0.693 | S | S | * | * | trans | -100.2 | 110.1 | 161.1 | 178.9 | 0 | 0 | 0 | 0 | 108 | G35 C39 | G35-V37 PolarHBondContact O-N 3.25Å; V37-C39 PolarHBondContact O-N 2.99Å | ||
| 38 | T | 29.5 | Very low | 40.1 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | trans | -84.2 | 96.3 | 172.9 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | Q40 | T38-Q40 PolarHBondContact O-N 3.47Š| ||
| 39 | C | 26.7 | Very low | 40.5 | Very low | 122 Ų | 122 | 127 Ų | 127 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -68.6 | 122.1 | 167.6 | -65.2 | 0 | 0 | 0 | 0 | 109.5 | V37 | V37-C39 PolarHBondContact O-N 2.99Š| ||
| 40 | Q | 26.7 | Very low | 41 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 84% | 0.841 | 71% | 0.708 | S | S | * | * | trans | -105.1 | 118 | 171.2 | -173.9 | 168.7 | -49.7 | 0 | 0 | 108.4 | T38 | T38-Q40 PolarHBondContact O-N 3.47Š| ||
| 41 | E | 30.2 | Very low | 42 | Very low | 184 Ų | 184 | 123.3 Ų | 123.3 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | trans | -81.3 | 122.3 | -173.3 | -157.6 | 177.1 | 151.2 | 0 | 0 | 110.6 | ||||
| 42 | Q | 30.3 | Very low | 43 | Very low | 143 Ų | 143 | 119.6 Ų | 119.6 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | trans | -135.6 | 102 | 179.3 | -175.8 | 173.9 | -42.5 | 0 | 0 | 110 | D44 | Q42-D44 PolarHBondContact NE2-OD2 3.5Å; Q42-D44 PolarHBondContact O-N 3.28Å; Q42-D44 VanDerWaalsContact O-N 3.1Å | ||
| 43 | S | 37.3 | Very low | 44.4 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | trans | -84.7 | 73.2 | -173.5 | -44.9 | 0 | 0 | 0 | 0 | 112.9 | T45 | S43-T45 PolarHBondContact O-N 3.04Å; S43-T45 VanDerWaalsContact O-N 3.16Å | ||
| 44 | D | 40.9 | Very low | 45.6 | Very low | 127 Ų | 127 | 113 Ų | 113 | 68% | 0.679 | 65% | 0.645 | S | S | * | * | trans | -70.9 | 106.4 | 172 | -83.4 | -53.1 | 0 | 0 | 0 | 111 | Q42 Q46 | Q42-D44 PolarHBondContact NE2-OD2 3.5Å; Q42-D44 PolarHBondContact O-N 3.28Å; Q42-D44 VanDerWaalsContact O-N 3.1Å; D44-Q46 PolarHBondContact O-N 3.02Å | ||
| 45 | T | 40.3 | Very low | 47.2 | Very low | 131 Ų | 131 | 111.9 Ų | 111.9 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | trans | -80.3 | 81.9 | -178 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | S43 L47 | S43-T45 PolarHBondContact O-N 3.04Å; S43-T45 VanDerWaalsContact O-N 3.16Å; T45-L47 PolarHBondContact O-N 3.36Å | ||
| 46 | Q | 49.7 | Very low | 49.1 | Very low | 107 Ų | 107 | 109.1 Ų | 109.1 | 50% | 0.5 | 60% | 0.597 | S | S | . | * | trans | -61.4 | 129.9 | -175.6 | -141.6 | 176.8 | -2.4 | 0 | 0 | 112.1 | D44 Q50 V51 D54 | D44-Q46 PolarHBondContact O-N 3.02Å; Q46-Q50 HydrophobicContact CG-CB 4.24Å; Q46-V51 HydrophobicContact CB-CG2 4.19Å; Q46-V51 HydrophobicContact CG-CG2 4.15Å; Q46-D54 PolarHBondContact NE2-OD2 3Å | ||
| 47 | L | 57.2 | Low | 51 | Low | 107 Ų | 107 | 102.6 Ų | 102.6 | 56% | 0.56 | 58% | 0.575 | S | S | * | * | trans | -73.9 | 145.5 | -179.9 | -74.7 | 93.4 | 0 | 0 | 0 | 111.3 | T45 A49 Q50 V51 | T45-L47 PolarHBondContact O-N 3.36Å; L47-A49 PolarHBondContact O-N 3.05Å; L47-Q50 HydrophobicContact CB-CG 4.3Å; L47-Q50 WeakPolarHBondContact O-CA 3.25Å; L47-Q50 WeakPolarHBondContact O-CB 3.49Å; L47-Q50 PolarHBondContact O-N 3.05Å; L47-V51 PolarHBondContact O-N 3.38Å | ||
| 48 | P | 59.4 | Low | 53 | Low | 111 Ų | 111 | 104.7 Ų | 104.7 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -55.6 | -31.1 | -179 | -28.4 | 35.5 | 0 | 0 | 0 | 115 | L52 | P48-L52 PolarHBondContact O-N 3.13Å; P48-L52 VanDerWaalsContact O-N 3.17Å |
| 49 | A | 59.1 | Low | 54.9 | Low | 68 Ų | 68 | 103 Ų | 103 | 56% | 0.562 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.7 | -35.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L47 Q53 | L47-A49 PolarHBondContact O-N 3.05Å; A49-Q53 VanDerWaalsContact O-CB 3.3Å; A49-Q53 WeakPolarHBondContact O-CB 3.37Å; A49-Q53 PolarHBondContact O-N 2.83Å |
| 50 | Q | 65.9 | Low | 57 | Low | 94 Ų | 94 | 97.8 Ų | 97.8 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.2 | -44.1 | 175.9 | -65.7 | 171.2 | -48.6 | 0 | 0 | 110.6 | Q46 L47 L52 Q53 D54 | Q46-Q50 HydrophobicContact CG-CB 4.24Å; L47-Q50 HydrophobicContact CB-CG 4.3Å; L47-Q50 WeakPolarHBondContact O-CA 3.25Å; L47-Q50 WeakPolarHBondContact O-CB 3.49Å; L47-Q50 PolarHBondContact O-N 3.05Å; Q50-L52 VanDerWaalsContact C-N 3.33Å; Q50-L52 PolarHBondContact O-N 2.7Å; Q50-Q53 PolarHBondContact O-N 3.16Å; Q50-Q53 VanDerWaalsContact O-N 3.13Å; Q50-D54 WeakPolarHBondContact O-CB 3.45Å; Q50-D54 PolarHBondContact O-N 2.99Å |
| 51 | V | 68.8 | Low | 59.3 | Low | 71 Ų | 71 | 92.4 Ų | 92.4 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | Q46 L47 Q53 L55 | Q46-V51 HydrophobicContact CB-CG2 4.19Å; Q46-V51 HydrophobicContact CG-CG2 4.15Å; L47-V51 PolarHBondContact O-N 3.38Å; V51-Q53 VanDerWaalsContact C-N 3.34Å; V51-L55 WeakPolarHBondContact O-CB 3.29Å; V51-L55 PolarHBondContact O-N 3.44Å; V51-L55 VanDerWaalsContact O-N 3.12Å |
| 52 | L | 68.1 | Low | 61.1 | Low | 45 Ų | 45 | 89 Ų | 89 | 24% | 0.236 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 175.7 | -178.5 | 60.3 | 0 | 0 | 0 | 112.2 | P48 Q50 L56 L129 | P48-L52 PolarHBondContact O-N 3.13Å; P48-L52 VanDerWaalsContact O-N 3.17Å; Q50-L52 VanDerWaalsContact C-N 3.33Å; Q50-L52 PolarHBondContact O-N 2.7Å; L52-L56 HydrophobicContact CD1-CD1 4.4Å; L52-L56 HydrophobicContact CG-CD1 4.27Å; L52-L56 WeakPolarHBondContact O-CG 3.39Å; L52-L56 PolarHBondContact O-N 3.26Å; L52-L129 HydrophobicContact CD1-CB 4.44Å; L52-L129 HydrophobicContact CD1-CD2 4.02Å; L52-L129 HydrophobicContact CD1-CG 4.44Å |
| 53 | Q | 68.4 | Low | 62.8 | Low | 131 Ų | 131 | 85.8 Ų | 85.8 | 61% | 0.612 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -77 | -37 | -177.9 | -166.5 | 160.5 | -0.3 | 0 | 0 | 112.7 | A49 Q50 V51 L55 L56 A57 | A49-Q53 VanDerWaalsContact O-CB 3.3Å; A49-Q53 WeakPolarHBondContact O-CB 3.37Å; A49-Q53 PolarHBondContact O-N 2.83Å; Q50-Q53 PolarHBondContact O-N 3.16Å; Q50-Q53 VanDerWaalsContact O-N 3.13Å; V51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-L55 PolarHBondContact O-N 3.24Å; Q53-L56 PolarHBondContact O-N 3.06Å; Q53-A57 VanDerWaalsContact O-CB 3.27Å; Q53-A57 WeakPolarHBondContact O-CB 3.45Å; Q53-A57 PolarHBondContact O-N 2.86Å |
| 54 | D | 68.3 | Low | 64.6 | Low | 73 Ų | 73 | 81.9 Ų | 81.9 | 39% | 0.39 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 169.7 | -85.8 | -13 | 0 | 0 | 0 | 111.4 | Q46 Q50 A57 R58 | Q46-D54 PolarHBondContact NE2-OD2 3Å; Q50-D54 WeakPolarHBondContact O-CB 3.45Å; Q50-D54 PolarHBondContact O-N 2.99Å; D54-A57 PolarHBondContact O-N 2.88Å; D54-R58 WeakPolarHBondContact O-CB 3.15Å; D54-R58 PolarHBondContact O-N 3.15Å |
| 55 | L | 70.5 | Confident | 66.2 | Low | 52 Ų | 52 | 75.9 Ų | 75.9 | 27% | 0.272 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 178.3 | -172.6 | 161.8 | 0 | 0 | 0 | 111.1 | V51 Q53 A57 R58 Y59 L73 L129 | V51-L55 WeakPolarHBondContact O-CB 3.29Å; V51-L55 PolarHBondContact O-N 3.44Å; V51-L55 VanDerWaalsContact O-N 3.12Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-L55 PolarHBondContact O-N 3.24Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-R58 PolarHBondContact O-N 3.21Å; L55-Y59 HydrophobicContact CG-CD2 4.46Å; L55-Y59 PolarHBondContact O-N 3.31Å; L55-L73 HydrophobicContact CD1-CD2 4.33Å; L55-L73 HydrophobicContact CD2-CD2 3.65Å; L55-L73 HydrophobicContact CG-CD2 4.1Å; L55-L129 HydrophobicContact CD2-CD2 3.64Å |
| 56 | L | 73.4 | Confident | 67.9 | Low | 10 Ų | 10 | 71.1 Ų | 71.1 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.1 | -29.4 | 174.1 | -71.7 | 169.4 | 0 | 0 | 0 | 113.4 | L52 Q53 G60 N62 I65 L129 | L52-L56 HydrophobicContact CD1-CD1 4.4Å; L52-L56 HydrophobicContact CG-CD1 4.27Å; L52-L56 WeakPolarHBondContact O-CG 3.39Å; L52-L56 PolarHBondContact O-N 3.26Å; Q53-L56 PolarHBondContact O-N 3.06Å; L56-G60 CarbonylContact O-C 3.54Å; L56-G60 WeakPolarHBondContact O-CA 3.23Å; L56-G60 PolarHBondContact O-N 3.13Å; L56-G60 VanDerWaalsContact O-N 3.1Å; L56-N62 WeakPolarHBondContact O-CA 3.46Å; L56-N62 PolarHBondContact O-N 3.44Å; L56-N62 VanDerWaalsContact O-N 3.16Å; L56-I65 HydrophobicContact CD2-CB 4.05Å; L56-I65 HydrophobicContact CD2-CG2 4.17Å; L56-L129 HydrophobicContact CD2-CD2 4.32Å |
| 57 | A | 71.3 | Confident | 68.7 | Low | 47 Ų | 47 | 66.2 Ų | 66.2 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -78 | -31.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q53 D54 L55 N62 | Q53-A57 VanDerWaalsContact O-CB 3.27Å; Q53-A57 WeakPolarHBondContact O-CB 3.45Å; Q53-A57 PolarHBondContact O-N 2.86Å; D54-A57 PolarHBondContact O-N 2.88Å; L55-A57 VanDerWaalsContact C-N 3.34Å; A57-N62 WeakPolarHBondContact CA-OD1 3.34Å; A57-N62 VanDerWaalsContact CB-OD1 3.29Å; A57-N62 WeakPolarHBondContact CB-OD1 3.45Å |
| 58 | R | 71.9 | Confident | 69.1 | Low | 175 Ų | 175 | 64.6 Ų | 64.6 | 66% | 0.66 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -88.3 | -29.3 | -177.4 | -165.9 | 177.8 | -59.4 | 179.4 | 4.4 | 113.7 | D54 L55 | D54-R58 WeakPolarHBondContact O-CB 3.15Å; D54-R58 PolarHBondContact O-N 3.15Å; L55-R58 PolarHBondContact O-N 3.21Å |
| 59 | Y | 69.5 | Low | 69.5 | Low | 87 Ų | 87 | 62 Ų | 62 | 34% | 0.341 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -126.6 | 0.4 | -175.4 | -59.4 | -78.4 | 0 | 0 | 0 | 114.7 | L55 Q69 L73 L76 | L55-Y59 HydrophobicContact CG-CD2 4.46Å; L55-Y59 PolarHBondContact O-N 3.31Å; Y59-Q69 WeakPolarHBondContact O-CB 3.35Å; Y59-L73 HydrophobicContact CD1-CD1 4.12Å; Y59-L73 HydrophobicContact CD2-CD1 3.81Å; Y59-L73 HydrophobicContact CD2-CD2 4.42Å; Y59-L73 HydrophobicContact CE1-CD1 4.18Å; Y59-L73 HydrophobicContact CE2-CD1 3.87Å; Y59-L73 HydrophobicContact CG-CD1 3.95Å; Y59-L73 HydrophobicContact CG-CD2 4.44Å; Y59-L76 HydrophobicContact CE1-CD1 3.89Å |
| 60 | G | 70.3 | Confident | 69.9 | Low | 14 Ų | 14 | 59 Ų | 59 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -138.2 | -164.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L56 N62 | L56-G60 CarbonylContact O-C 3.54Å; L56-G60 WeakPolarHBondContact O-CA 3.23Å; L56-G60 PolarHBondContact O-N 3.13Å; L56-G60 VanDerWaalsContact O-N 3.1Å; G60-N62 VanDerWaalsContact C-N 3.26Å; G60-N62 PolarHBondContact O-N 3.09Å |
| 61 | D | 74.1 | Confident | 69.9 | Low | 67 Ų | 67 | 60 Ų | 60 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -91.5 | 44.1 | -175.8 | -62.1 | 9.9 | 0 | 0 | 0 | 111.2 | S63 T64 Q69 R123 | D61-S63 PolarHBondContact O-N 3.05Å; D61-T64 PolarHBondContact N-O 2.82Å; D61-Q69 PolarHBondContact OD1-NE2 2.89Å; D61-R123 IonicContact OD2-CZ 3.73Å; D61-R123 IonicContact OD2-NH1 3.86Å; D61-R123 PolarHBondContact OD2-NH1 3Å; D61-R123 IonicContact OD2-NH2 3.29Å; D61-R123 PolarHBondContact OD2-NH2 3.43Å |
| 62 | N | 69.3 | Low | 69.7 | Low | 111 Ų | 111 | 60 Ų | 60 | 59% | 0.594 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 61.3 | -27.5 | -173.1 | -66.5 | -63.8 | 0 | 0 | 0 | 117.5 | L56 A57 G60 | L56-N62 WeakPolarHBondContact O-CA 3.46Å; L56-N62 PolarHBondContact O-N 3.44Å; L56-N62 VanDerWaalsContact O-N 3.16Å; A57-N62 WeakPolarHBondContact CA-OD1 3.34Å; A57-N62 VanDerWaalsContact CB-OD1 3.29Å; A57-N62 WeakPolarHBondContact CB-OD1 3.45Å; G60-N62 VanDerWaalsContact C-N 3.26Å; G60-N62 PolarHBondContact O-N 3.09Å |
| 63 | S | 66.1 | Low | 69.6 | Low | 77 Ų | 77 | 58.1 Ų | 58.1 | 54% | 0.538 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -124.5 | -26.6 | 178.7 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | D61 | D61-S63 PolarHBondContact O-N 3.05Š|
| 64 | T | 73.1 | Confident | 69.5 | Low | 15 Ų | 15 | 54 Ų | 54 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.3 | -176 | 79.6 | 0 | 0 | 0 | 0 | 111.2 | D61 R123 L124 D125 | D61-T64 PolarHBondContact N-O 2.82Å; T64-R123 PolarHBondContact OG1-NH1 3.28Å; T64-L124 CarbonylContact C-O 3.56Å; T64-L124 WeakPolarHBondContact CA-O 3.34Å; T64-D125 WeakPolarHBondContact CG2-OD1 3.39Å |
| 65 | I | 75.4 | Confident | 69 | Low | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.9 | 169.5 | -165.8 | 168.7 | 0 | 0 | 0 | 110.6 | L56 Q69 L70 L73 L124 L129 | L56-I65 HydrophobicContact CD2-CB 4.05Å; L56-I65 HydrophobicContact CD2-CG2 4.17Å; I65-Q69 HydrophobicContact CD1-CB 4.1Å; I65-Q69 HydrophobicContact CG1-CB 3.56Å; I65-L70 HydrophobicContact CD1-CB 4.08Å; I65-L70 HydrophobicContact CD1-CD1 4.37Å; I65-L70 HydrophobicContact CG1-CB 4.23Å; I65-L73 HydrophobicContact CD1-CD2 4.35Å; I65-L124 HydrophobicContact CG2-CB 3.96Å; I65-L124 PolarHBondContact N-O 2.97Å; I65-L124 PolarHBondContact O-N 2.9Å; I65-L129 HydrophobicContact CG2-CD2 4.46Å |
| 66 | T | 76.1 | Confident | 68.6 | Low | 32 Ų | 32 | 54.2 Ų | 54.2 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 156.6 | 174.8 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | P68 Q69 L70 R123 | T66-P68 VanDerWaalsContact C-N 3.35Å; T66-Q69 PolarHBondContact O-N 3.38Å; T66-Q69 VanDerWaalsContact O-N 3.17Å; T66-Q69 VanDerWaalsContact OG1-CD 3.27Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.3Å; T66-Q69 PolarHBondContact OG1-N 2.95Å; T66-Q69 PolarHBondContact OG1-OE1 3.13Å; T66-L70 WeakPolarHBondContact O-CB 3.44Å; T66-L70 PolarHBondContact O-N 3.03Å; T66-R123 HydrophobicContact CG2-CG 4.1Å |
| 67 | V | 66.6 | Low | 68.1 | Low | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.2 | -40.5 | 177.8 | 178.1 | 0 | 0 | 0 | 0 | 113.3 | L70 R71 L113 I118 S119 L124 | V67-L70 PolarHBondContact O-N 3.42Å; V67-R71 WeakPolarHBondContact O-CB 3.45Å; V67-R71 PolarHBondContact O-N 3.26Å; V67-L113 HydrophobicContact CG1-CD1 3.79Å; V67-L113 HydrophobicContact CG1-CD2 4.5Å; V67-L113 HydrophobicContact CG2-CD2 4.46Å; V67-I118 HydrophobicContact CG2-CG2 3.73Å; V67-S119 WeakPolarHBondContact CG2-O 3.37Å; V67-L124 HydrophobicContact CG2-CD1 4.16Å |
| 68 | P | 65.1 | Low | 67.4 | Low | 73 Ų | 73 | 57.1 Ų | 57.1 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 173.9 | -24.8 | 36.6 | 0 | 0 | 0 | 114.4 | T66 R71 S72 | T66-P68 VanDerWaalsContact C-N 3.35Å; P68-R71 PolarHBondContact O-N 2.95Å; P68-S72 PolarHBondContact O-N 3.45Å; P68-S72 VanDerWaalsContact O-N 3.09Å |
| 69 | Q | 68.6 | Low | 66.5 | Low | 57 Ų | 57 | 55.4 Ų | 55.4 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.5 | -80.4 | 160.9 | -35.3 | 0 | 0 | 110.9 | Y59 D61 I65 T66 R71 S72 L73 | Y59-Q69 WeakPolarHBondContact O-CB 3.35Å; D61-Q69 PolarHBondContact OD1-NE2 2.89Å; I65-Q69 HydrophobicContact CD1-CB 4.1Å; I65-Q69 HydrophobicContact CG1-CB 3.56Å; T66-Q69 PolarHBondContact O-N 3.38Å; T66-Q69 VanDerWaalsContact O-N 3.17Å; T66-Q69 VanDerWaalsContact OG1-CD 3.27Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.3Å; T66-Q69 PolarHBondContact OG1-N 2.95Å; T66-Q69 PolarHBondContact OG1-OE1 3.13Å; Q69-R71 VanDerWaalsContact C-N 3.33Å; Q69-R71 PolarHBondContact O-N 3.46Å; Q69-S72 WeakPolarHBondContact O-CB 3.25Å; Q69-S72 PolarHBondContact O-N 3.38Å; Q69-S72 VanDerWaalsContact O-N 3.11Å; Q69-L73 PolarHBondContact O-N 2.94Å |
| 70 | L | 67.8 | Low | 65.3 | Low | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 177.7 | -179.5 | 62 | 0 | 0 | 0 | 112.4 | I65 T66 V67 S72 L73 L74 L124 L129 L132 M136 | I65-L70 HydrophobicContact CD1-CB 4.08Å; I65-L70 HydrophobicContact CD1-CD1 4.37Å; I65-L70 HydrophobicContact CG1-CB 4.23Å; T66-L70 WeakPolarHBondContact O-CB 3.44Å; T66-L70 PolarHBondContact O-N 3.03Å; V67-L70 PolarHBondContact O-N 3.42Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 3.26Å; L70-L74 HydrophobicContact CG-CD1 4.37Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 2.68Å; L70-L124 HydrophobicContact CD2-CD1 4.32Å; L70-L124 HydrophobicContact CD2-CD2 3.93Å; L70-L129 HydrophobicContact CD1-CD1 3.78Å; L70-L132 HydrophobicContact CD2-CD2 3.79Å; L70-M136 HydrophobicContact CD1-CE 3.91Å; L70-M136 HydrophobicContact CD1-SD 4.46Å |
| 71 | R | 65.4 | Low | 64.2 | Low | 114 Ų | 114 | 58.7 Ų | 58.7 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 173.4 | -172.9 | -179.4 | -69.7 | 152.7 | 1.4 | 111.6 | V67 P68 Q69 A75 E120 | V67-R71 WeakPolarHBondContact O-CB 3.45Å; V67-R71 PolarHBondContact O-N 3.26Å; P68-R71 PolarHBondContact O-N 2.95Å; Q69-R71 VanDerWaalsContact C-N 3.33Å; Q69-R71 PolarHBondContact O-N 3.46Å; R71-A75 PolarHBondContact O-N 2.88Å; R71-E120 IonicContact CZ-OE1 3.51Å; R71-E120 IonicContact NH1-OE1 3.91Å; R71-E120 PolarHBondContact NH1-OE1 3.45Å; R71-E120 IonicContact NH2-OE1 3.17Å; R71-E120 PolarHBondContact NH2-OE1 2.92Å |
| 72 | S | 64.3 | Low | 62.7 | Low | 72 Ų | 72 | 60.1 Ų | 60.1 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.4 | -40.1 | 174.8 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | P68 Q69 L70 A75 L76 | P68-S72 PolarHBondContact O-N 3.45Å; P68-S72 VanDerWaalsContact O-N 3.09Å; Q69-S72 WeakPolarHBondContact O-CB 3.25Å; Q69-S72 PolarHBondContact O-N 3.38Å; Q69-S72 VanDerWaalsContact O-N 3.11Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 3.32Å; S72-A75 PolarHBondContact O-N 3.45Å; S72-L76 PolarHBondContact O-N 3.03Å |
| 73 | L | 67 | Low | 61.3 | Low | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 174.2 | 175.6 | 60.2 | 0 | 0 | 0 | 111.9 | L55 Y59 I65 Q69 L70 A75 L76 L77 | L55-L73 HydrophobicContact CD1-CD2 4.33Å; L55-L73 HydrophobicContact CD2-CD2 3.65Å; L55-L73 HydrophobicContact CG-CD2 4.1Å; Y59-L73 HydrophobicContact CD1-CD1 4.12Å; Y59-L73 HydrophobicContact CD2-CD1 3.81Å; Y59-L73 HydrophobicContact CD2-CD2 4.42Å; Y59-L73 HydrophobicContact CE1-CD1 4.18Å; Y59-L73 HydrophobicContact CE2-CD1 3.87Å; Y59-L73 HydrophobicContact CG-CD1 3.95Å; Y59-L73 HydrophobicContact CG-CD2 4.44Å; I65-L73 HydrophobicContact CD1-CD2 4.35Å; Q69-L73 PolarHBondContact O-N 2.94Å; L70-L73 PolarHBondContact O-N 3.26Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.04Å; L73-L76 PolarHBondContact O-N 2.76Å; L73-L77 HydrophobicContact CD1-CD1 4.12Å; L73-L77 HydrophobicContact CD1-CG 4.17Å; L73-L77 HydrophobicContact CG-CD1 4.04Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.37Å |
| 74 | L | 64.4 | Low | 59.9 | Low | 45 Ų | 45 | 62.6 Ų | 62.6 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 176.2 | -83.1 | 165.5 | 0 | 0 | 0 | 112.5 | L70 L77 S78 M136 | L70-L74 HydrophobicContact CG-CD1 4.37Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 2.68Å; L74-L77 PolarHBondContact O-N 3.18Å; L74-S78 WeakPolarHBondContact O-CB 3.28Å; L74-S78 PolarHBondContact O-N 3.36Å; L74-S78 PolarHBondContact O-OG 3.47Å; L74-M136 HydrophobicContact CD2-CB 4.15Å; L74-M136 HydrophobicContact CD2-CE 3.67Å; L74-M136 HydrophobicContact CD2-CG 4.05Å; L74-M136 HydrophobicContact CG-CE 3.99Å |
| 75 | A | 59.2 | Low | 57.9 | Low | 47 Ų | 47 | 66.7 Ų | 66.7 | 39% | 0.388 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R71 S72 L73 L77 S78 Q79 | R71-A75 PolarHBondContact O-N 2.88Å; S72-A75 PolarHBondContact O-N 3.45Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.04Å; A75-L77 PolarHBondContact O-N 3.25Å; A75-S78 PolarHBondContact O-N 3.5Å; A75-S78 PolarHBondContact O-OG 3.43Å; A75-Q79 PolarHBondContact O-N 3.06Å; A75-Q79 VanDerWaalsContact O-N 3.08Å |
| 76 | L | 62.4 | Low | 55.9 | Low | 82 Ų | 82 | 75 Ų | 75 | 43% | 0.429 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 177.5 | -69.1 | 169.2 | 0 | 0 | 0 | 112.4 | Y59 S72 L73 Q79 S80 | Y59-L76 HydrophobicContact CE1-CD1 3.89Å; S72-L76 PolarHBondContact O-N 3.03Å; L73-L76 PolarHBondContact O-N 2.76Å; L76-Q79 PolarHBondContact O-N 3.05Å; L76-S80 PolarHBondContact O-N 3.46Å |
| 77 | L | 61.7 | Low | 53.7 | Low | 70 Ų | 70 | 80 Ų | 80 | 37% | 0.366 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.8 | -68.8 | 171 | 0 | 0 | 0 | 112.2 | L73 L74 A75 Q79 S80 Q81 L140 | L73-L77 HydrophobicContact CD1-CD1 4.12Å; L73-L77 HydrophobicContact CD1-CG 4.17Å; L73-L77 HydrophobicContact CG-CD1 4.04Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.37Å; L74-L77 PolarHBondContact O-N 3.18Å; A75-L77 PolarHBondContact O-N 3.25Å; L77-Q79 PolarHBondContact O-N 3.35Å; L77-S80 PolarHBondContact O-N 2.99Å; L77-Q81 PolarHBondContact O-N 3.21Å; L77-L140 HydrophobicContact CB-CD1 4.24Å; L77-L140 HydrophobicContact CB-CD2 4.13Å |
| 78 | S | 57.4 | Low | 52.2 | Low | 47 Ų | 47 | 83.1 Ų | 83.1 | 33% | 0.329 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.2 | -23.6 | 176 | 71.3 | 0 | 0 | 0 | 0 | 113.5 | L74 A75 | L74-S78 WeakPolarHBondContact O-CB 3.28Å; L74-S78 PolarHBondContact O-N 3.36Å; L74-S78 PolarHBondContact O-OG 3.47Å; A75-S78 PolarHBondContact O-N 3.5Å; A75-S78 PolarHBondContact O-OG 3.43Å |
| 79 | Q | 52.4 | Low | 50.4 | Low | 140 Ų | 140 | 90.1 Ų | 90.1 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -81.5 | -44.1 | 177.7 | -163 | 166.7 | 5.8 | 0 | 0 | 111.2 | A75 L76 L77 Q81 S82 | A75-Q79 PolarHBondContact O-N 3.06Å; A75-Q79 VanDerWaalsContact O-N 3.08Å; L76-Q79 PolarHBondContact O-N 3.05Å; L77-Q79 PolarHBondContact O-N 3.35Å; Q79-Q81 VanDerWaalsContact C-N 3.33Å; Q79-Q81 PolarHBondContact O-N 2.97Å; Q79-S82 WeakPolarHBondContact O-CB 3.05Å; Q79-S82 PolarHBondContact O-N 2.96Å; Q79-S82 VanDerWaalsContact O-N 3.16Å |
| 80 | S | 43.6 | Very low | 48.9 | Very low | 72 Ų | 72 | 95.1 Ų | 95.1 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -34.2 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 113.9 | L76 L77 S82 E83 | L76-S80 PolarHBondContact O-N 3.46Å; L77-S80 PolarHBondContact O-N 2.99Å; S80-S82 PolarHBondContact O-N 3.23Å; S80-S82 VanDerWaalsContact O-N 3.14Å; S80-E83 PolarHBondContact O-N 3.49Å; S80-E83 VanDerWaalsContact O-N 3.11Å |
| 81 | Q | 47.6 | Very low | 47 | Very low | 98 Ų | 98 | 104.3 Ų | 104.3 | 46% | 0.458 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -70.6 | -9 | -179.5 | -144.6 | -179.6 | 9.3 | 0 | 0 | 113.4 | L77 Q79 E83 L140 | L77-Q81 PolarHBondContact O-N 3.21Å; Q79-Q81 VanDerWaalsContact C-N 3.33Å; Q79-Q81 PolarHBondContact O-N 2.97Å; Q81-E83 VanDerWaalsContact C-N 3.26Å; Q81-E83 PolarHBondContact O-N 3.48Å; Q81-L140 PolarHBondContact OE1-O 3.06Å |
| 82 | S | 43.6 | Very low | 45.2 | Very low | 96 Ų | 96 | 103 Ų | 103 | 67% | 0.671 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -77.8 | -7.5 | 171.5 | -161.7 | 0 | 0 | 0 | 0 | 113.8 | Q79 S80 | Q79-S82 WeakPolarHBondContact O-CB 3.05Å; Q79-S82 PolarHBondContact O-N 2.96Å; Q79-S82 VanDerWaalsContact O-N 3.16Å; S80-S82 PolarHBondContact O-N 3.23Å; S80-S82 VanDerWaalsContact O-N 3.14Å |
| 83 | E | 38.8 | Very low | 43.7 | Very low | 177 Ų | 177 | 108.9 Ų | 108.9 | 83% | 0.827 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -111.4 | 6.4 | -176.5 | -60.5 | -177.7 | 131.6 | 0 | 0 | 113.1 | S80 Q81 | S80-E83 PolarHBondContact O-N 3.49Å; S80-E83 VanDerWaalsContact O-N 3.11Å; Q81-E83 VanDerWaalsContact C-N 3.26Å; Q81-E83 PolarHBondContact O-N 3.48Å |
| 84 | G | 36.9 | Very low | 41.6 | Very low | 63 Ų | 63 | 114.7 Ų | 114.7 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -160.6 | 47.2 | -163.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 85 | S | 32.5 | Very low | 40.1 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | trans | -155.7 | 104.3 | 159.8 | -167.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 86 | N | 31.7 | Very low | 38.4 | Very low | 174 Ų | 174 | 122.5 Ų | 122.5 | 93% | 0.93 | 69% | 0.69 | S | S | * | * | trans | -159 | 45.2 | 162.4 | -133.3 | 6.7 | 0 | 0 | 0 | 111.4 | ||||
| 87 | D | 31.1 | Very low | 36.9 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | trans | -89.7 | 119.9 | 165.2 | -174.3 | 32.9 | 0 | 0 | 0 | 108.8 | ||||
| 88 | G | 34.4 | Very low | 35.1 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | -94.8 | 125.3 | -172 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 89 | R | 28.4 | Very low | 33.7 | Very low | 220 Ų | 220 | 130.5 Ų | 130.5 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | trans | -136.1 | 127.5 | 161.8 | -65 | -169.4 | -174.4 | -149 | -1.6 | 111.1 | ||||
| 90 | D | 36.1 | Very low | 32.7 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | -62 | 142.7 | 166.5 | -54.2 | -91.3 | 0 | 0 | 0 | 110.9 | ||||
| 91 | E | 29.1 | Very low | 31.9 | Very low | 197 Ų | 197 | 135.8 Ų | 135.8 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -150.8 | 166.3 | 139.6 | -126.9 | -174.1 | 161 | 0 | 0 | 113.9 | ||||
| 92 | A | 27.5 | Very low | 31.1 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -77.4 | 139.9 | -151.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | T94 | A92-T94 PolarHBondContact O-N 3.35Š| ||
| 93 | K | 31.3 | Very low | 30.4 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -44.7 | 117.7 | 157.5 | 174.7 | -175 | -177.5 | 177.3 | 0 | 112.1 | ||||
| 94 | T | 23.8 | Very low | 30.3 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -139.3 | 137.4 | 162.6 | -73.5 | 0 | 0 | 0 | 0 | 110.8 | A92 | A92-T94 PolarHBondContact O-N 3.35Š| ||
| 95 | T | 31.7 | Very low | 30.2 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -98.5 | 121 | -168.7 | -44.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 96 | T | 25.3 | Very low | 30.5 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -138.6 | 148.9 | 161.1 | 46.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 97 | V | 30.7 | Very low | 31.1 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -112.1 | 124.2 | -164.9 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 98 | T | 24.4 | Very low | 32 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | -176.9 | 164.9 | 153.8 | 11.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 99 | P | 27.1 | Very low | 32.6 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | -88.9 | -176.4 | -99.7 | 44.5 | -30.6 | 0 | 0 | 0 | 112.3 | K101 | P99-K101 PolarHBondContact O-N 3.29Š| |||
| 100 | P | 30.3 | Very low | 33.5 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | trans | -71.5 | 124 | -168 | 28.8 | -33.9 | 0 | 0 | 0 | 112.7 | T102 | P100-T102 PolarHBondContact O-N 3.45Š| ||
| 101 | K | 28.4 | Very low | 33.8 | Very low | 212 Ų | 212 | 124.4 Ų | 124.4 | 92% | 0.922 | 71% | 0.714 | S | S | * | * | trans | -76.2 | 69 | 169.6 | -72.3 | -174.5 | 177.8 | 177.8 | 0 | 111.2 | P99 N103 | P99-K101 PolarHBondContact O-N 3.29Å; K101-N103 PolarHBondContact O-N 3.1Å | ||
| 102 | T | 30.1 | Very low | 34.9 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 69% | 0.693 | 68% | 0.679 | S | S | * | * | trans | -70 | 95.7 | 163.6 | 50.5 | 0 | 0 | 0 | 0 | 109.5 | P100 | P100-T102 PolarHBondContact O-N 3.45Š| ||
| 103 | N | 29.7 | Very low | 36 | Very low | 157 Ų | 157 | 114.1 Ų | 114.1 | 84% | 0.84 | 66% | 0.655 | S | S | * | * | trans | -178.4 | 122.3 | 146.8 | -91.7 | -26.1 | 0 | 0 | 0 | 108.6 | K101 S105 | K101-N103 PolarHBondContact O-N 3.1Å; N103-S105 PolarHBondContact O-N 3.19Å | ||
| 104 | S | 34.9 | Very low | 36.9 | Very low | 109 Ų | 109 | 107.9 Ų | 107.9 | 76% | 0.762 | 64% | 0.64 | S | S | * | * | trans | -72.7 | 115.1 | 169.6 | 45.6 | 0 | 0 | 0 | 0 | 109.1 | K106 | S104-K106 VanDerWaalsContact C-N 3.25Å; S104-K106 PolarHBondContact O-N 3.47Å | ||
| 105 | S | 36.3 | Very low | 38.2 | Very low | 89 Ų | 89 | 108.2 Ų | 108.2 | 62% | 0.622 | 64% | 0.635 | S | S | * | * | trans | -70.9 | 81.2 | 175.2 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | N103 T144 | N103-S105 PolarHBondContact O-N 3.19Å; S105-T144 VanDerWaalsContact O-CG2 3.23Å; S105-T144 WeakPolarHBondContact O-CG2 3.39Å | ||
| 106 | K | 38 | Very low | 39.3 | Very low | 180 Ų | 180 | 107 Ų | 107 | 78% | 0.783 | 62% | 0.618 | S | S | * | * | trans | -55.1 | 152.7 | 158.7 | -69.9 | -178.9 | 175.6 | 179.8 | 0 | 108.7 | S104 L108 | S104-K106 VanDerWaalsContact C-N 3.25Å; S104-K106 PolarHBondContact O-N 3.47Å; K106-L108 PolarHBondContact O-N 3.01Å; K106-L108 VanDerWaalsContact O-N 3.14Å | ||
| 107 | C | 45.3 | Very low | 40.5 | Very low | 62 Ų | 62 | 105.8 Ų | 105.8 | 42% | 0.419 | 62% | 0.615 | S | S | . | * | trans | -46.6 | 126 | 167.6 | -82.2 | 0 | 0 | 0 | 0 | 110.3 | P109 T144 C145 | C107-P109 WeakPolarHBondContact O-CD 3.19Å; C107-T144 PolarHBondContact SG-O 3.21Å; C107-C145 WeakPolarHBondContact CA-SG 3.24Å; C107-C145 HydrophobicContact CB-CB 4.47Å; C107-C145 WeakPolarHBondContact CB-SG 3.35Å; C107-C145 WeakPolarHBondContact SG-CA 3.23Å; C107-C145 WeakPolarHBondContact SG-CB 3.28Å; C107-C145 CovalentContact SG-SG 2.05Å; C107-C145 PolarHBondContact SG-SG 3.26Å | ||
| 108 | L | 49.3 | Very low | 41.9 | Very low | 92 Ų | 92 | 101.2 Ų | 101.2 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | trans | -63.9 | 115.1 | 179.4 | -82.1 | 162 | 0 | 0 | 0 | 108.2 | K106 T112 | K106-L108 PolarHBondContact O-N 3.01Å; K106-L108 VanDerWaalsContact O-N 3.14Å; L108-T112 HydrophobicContact CB-CG2 4.33Å; L108-T112 WeakPolarHBondContact CB-OG1 3.27Å; L108-T112 HydrophobicContact CD1-CG2 4.35Å; L108-T112 HydrophobicContact CD2-CG2 3.97Å; L108-T112 HydrophobicContact CG-CG2 4.44Å | ||
| 109 | P | 47.1 | Very low | 43.3 | Very low | 79 Ų | 79 | 97.4 Ų | 97.4 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | trans | -67.3 | 166.8 | -179.3 | 29.6 | -34.8 | 0 | 0 | 0 | 110.5 | C107 D111 T112 | C107-P109 WeakPolarHBondContact O-CD 3.19Å; P109-D111 PolarHBondContact O-N 3.31Å; P109-T112 WeakPolarHBondContact O-CB 3.22Å; P109-T112 PolarHBondContact O-N 2.8Å; P109-T112 PolarHBondContact O-OG1 3.15Å | ||
| 110 | A | 46 | Very low | 44.5 | Very low | 59 Ų | 59 | 97.9 Ų | 97.9 | 49% | 0.488 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.3 | -29 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T112 L113 | A110-T112 PolarHBondContact O-N 3.05Å; A110-L113 PolarHBondContact O-N 3.22Å |
| 111 | D | 43.6 | Very low | 45.6 | Very low | 120 Ų | 120 | 100.5 Ų | 100.5 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -14.9 | 178.6 | -45.6 | -69.7 | 0 | 0 | 0 | 114.1 | P109 L113 A114 | P109-D111 PolarHBondContact O-N 3.31Å; D111-L113 PolarHBondContact O-N 3.03Å; D111-A114 WeakPolarHBondContact O-CB 3.35Å; D111-A114 PolarHBondContact O-N 3.44Å |
| 112 | T | 51.5 | Low | 47.1 | Very low | 30 Ų | 30 | 92 Ų | 92 | 18% | 0.184 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -62.7 | -26.9 | 176.8 | -48.1 | 0 | 0 | 0 | 0 | 112.3 | L108 P109 A110 A114 I115 | L108-T112 HydrophobicContact CB-CG2 4.33Å; L108-T112 WeakPolarHBondContact CB-OG1 3.27Å; L108-T112 HydrophobicContact CD1-CG2 4.35Å; L108-T112 HydrophobicContact CD2-CG2 3.97Å; L108-T112 HydrophobicContact CG-CG2 4.44Å; P109-T112 WeakPolarHBondContact O-CB 3.22Å; P109-T112 PolarHBondContact O-N 2.8Å; P109-T112 PolarHBondContact O-OG1 3.15Å; A110-T112 PolarHBondContact O-N 3.05Å; T112-A114 PolarHBondContact O-N 3.33Å; T112-I115 HydrophobicContact CG2-CD1 4.25Å; T112-I115 WeakPolarHBondContact O-CB 3.48Å; T112-I115 PolarHBondContact O-N 2.92Å; T112-I115 VanDerWaalsContact O-N 3.14Å |
| 113 | L | 52 | Low | 48.7 | Very low | 37 Ų | 37 | 93.3 Ų | 93.3 | 19% | 0.194 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -61.2 | -29.5 | 171.9 | -77.9 | 141.9 | 0 | 0 | 0 | 112.1 | V67 A110 D111 I115 Y116 S117 I118 | V67-L113 HydrophobicContact CG1-CD1 3.79Å; V67-L113 HydrophobicContact CG1-CD2 4.5Å; V67-L113 HydrophobicContact CG2-CD2 4.46Å; A110-L113 PolarHBondContact O-N 3.22Å; D111-L113 PolarHBondContact O-N 3.03Å; L113-I115 VanDerWaalsContact C-N 3.27Å; L113-I115 PolarHBondContact O-N 3.29Å; L113-Y116 CarbonylContact O-C 3.4Å; L113-Y116 PolarHBondContact O-N 3.4Å; L113-Y116 VanDerWaalsContact O-N 3.15Å; L113-S117 PolarHBondContact O-N 3.44Å; L113-I118 CarbonylContact C-O 3.57Å; L113-I118 HydrophobicContact CB-CB 4.24Å; L113-I118 HydrophobicContact CD2-CB 4.08Å; L113-I118 HydrophobicContact CD2-CD1 4.28Å; L113-I118 HydrophobicContact CD2-CG2 3.85Å; L113-I118 PolarHBondContact O-N 3.25Å |
| 114 | A | 49.1 | Very low | 50.6 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.6 | -24.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D111 T112 Y116 S117 | D111-A114 WeakPolarHBondContact O-CB 3.35Å; D111-A114 PolarHBondContact O-N 3.44Å; T112-A114 PolarHBondContact O-N 3.33Å; A114-Y116 PolarHBondContact O-N 3.02Å; A114-S117 WeakPolarHBondContact O-CA 3.44Å; A114-S117 PolarHBondContact O-N 2.9Å |
| 115 | I | 51.3 | Low | 52.3 | Low | 133 Ų | 133 | 85.4 Ų | 85.4 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.3 | -31.6 | 174.6 | -56.1 | -180 | 0 | 0 | 0 | 110.7 | T112 L113 S117 | T112-I115 HydrophobicContact CG2-CD1 4.25Å; T112-I115 WeakPolarHBondContact O-CB 3.48Å; T112-I115 PolarHBondContact O-N 2.92Å; T112-I115 VanDerWaalsContact O-N 3.14Å; L113-I115 VanDerWaalsContact C-N 3.27Å; L113-I115 PolarHBondContact O-N 3.29Å; I115-S117 VanDerWaalsContact C-N 3.3Å |
| 116 | Y | 55.4 | Low | 53.7 | Low | 95 Ų | 95 | 81.5 Ų | 81.5 | 37% | 0.373 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 7.8 | 171.3 | -70.6 | -92.4 | 0 | 0 | 0 | 113.1 | L113 A114 I118 L132 T135 | L113-Y116 CarbonylContact O-C 3.4Å; L113-Y116 PolarHBondContact O-N 3.4Å; L113-Y116 VanDerWaalsContact O-N 3.15Å; A114-Y116 PolarHBondContact O-N 3.02Å; Y116-I118 VanDerWaalsContact C-N 3.29Å; Y116-I118 PolarHBondContact O-N 3.46Å; Y116-L132 HydrophobicContact CD2-CD1 4.33Å; Y116-L132 HydrophobicContact CE2-CD1 4.3Å; Y116-T135 PolarHBondContact OH-OG1 3.3Å; Y116-T135 VanDerWaalsContact OH-OG1 3.11Å |
| 117 | S | 50.8 | Low | 55.2 | Low | 111 Ų | 111 | 77.6 Ų | 77.6 | 78% | 0.776 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 30.4 | -174.7 | -54.6 | 0 | 0 | 0 | 0 | 114.8 | L113 A114 I115 | L113-S117 PolarHBondContact O-N 3.44Å; A114-S117 WeakPolarHBondContact O-CA 3.44Å; A114-S117 PolarHBondContact O-N 2.9Å; I115-S117 VanDerWaalsContact C-N 3.3Å |
| 118 | I | 58.4 | Low | 56.3 | Low | 31 Ų | 31 | 76.1 Ų | 76.1 | 16% | 0.159 | 43% | 0.432 | C | S | . | . | trans | -100 | 118.9 | 179.4 | -55.3 | 177.1 | 0 | 0 | 0 | 109.1 | V67 L113 Y116 L124 | V67-I118 HydrophobicContact CG2-CG2 3.73Å; L113-I118 CarbonylContact C-O 3.57Å; L113-I118 HydrophobicContact CB-CB 4.24Å; L113-I118 HydrophobicContact CD2-CB 4.08Å; L113-I118 HydrophobicContact CD2-CD1 4.28Å; L113-I118 HydrophobicContact CD2-CG2 3.85Å; L113-I118 PolarHBondContact O-N 3.25Å; Y116-I118 VanDerWaalsContact C-N 3.29Å; Y116-I118 PolarHBondContact O-N 3.46Å; I118-L124 HydrophobicContact CD1-CD1 4.38Å; I118-L124 HydrophobicContact CD1-CD2 3.92Å; I118-L124 HydrophobicContact CD1-CG 4.14Å; I118-L124 HydrophobicContact CG2-CD1 3.95Å | ||
| 119 | S | 54 | Low | 57.3 | Low | 54 Ų | 54 | 72.2 Ų | 72.2 | 38% | 0.378 | 41% | 0.411 | S | S | . | . | trans | -92.8 | 167 | 173.4 | 76.9 | 0 | 0 | 0 | 0 | 112.1 | V67 Q121 S122 | V67-S119 WeakPolarHBondContact CG2-O 3.37Å; S119-Q121 PolarHBondContact O-N 3.16Å; S119-Q121 PolarHBondContact OG-N 3.39Å; S119-Q121 PolarHBondContact OG-OE1 2.84Å; S119-S122 PolarHBondContact N-OG 2.86Å; S119-S122 WeakPolarHBondContact O-CB 3.24Å; S119-S122 PolarHBondContact O-N 2.62Å; S119-S122 PolarHBondContact O-OG 2.73Å; S119-S122 PolarHBondContact OG-OG 3.08Å | ||
| 120 | E | 53.7 | Low | 58.5 | Low | 116 Ų | 116 | 75 Ų | 75 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.5 | 176 | -70.4 | -147.9 | 131.3 | 0 | 0 | 114.4 | R71 S122 | R71-E120 IonicContact CZ-OE1 3.51Å; R71-E120 IonicContact NH1-OE1 3.91Å; R71-E120 PolarHBondContact NH1-OE1 3.45Å; R71-E120 IonicContact NH2-OE1 3.17Å; R71-E120 PolarHBondContact NH2-OE1 2.92Å; E120-S122 VanDerWaalsContact C-N 3.33Å |
| 121 | Q | 53.4 | Low | 59.6 | Low | 166 Ų | 166 | 79.5 Ų | 79.5 | 78% | 0.776 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.4 | 170.9 | -52.1 | 84.9 | 8.8 | 0 | 0 | 113.5 | S119 | S119-Q121 PolarHBondContact O-N 3.16Å; S119-Q121 PolarHBondContact OG-N 3.39Å; S119-Q121 PolarHBondContact OG-OE1 2.84Å |
| 122 | S | 60 | Low | 60.9 | Low | 34 Ų | 34 | 74.7 Ų | 74.7 | 24% | 0.238 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 139.9 | -174.5 | -60.6 | 0 | 0 | 0 | 0 | 112 | S119 E120 | S119-S122 PolarHBondContact N-OG 2.86Å; S119-S122 WeakPolarHBondContact O-CB 3.24Å; S119-S122 PolarHBondContact O-N 2.62Å; S119-S122 PolarHBondContact O-OG 2.73Å; S119-S122 PolarHBondContact OG-OG 3.08Å; E120-S122 VanDerWaalsContact C-N 3.33Å |
| 123 | R | 63 | Low | 61.9 | Low | 139 Ų | 139 | 75.9 Ų | 75.9 | 53% | 0.525 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.5 | 168.4 | -77.7 | 176.1 | 170.2 | -109 | -7.8 | 108.8 | D61 T64 T66 | D61-R123 IonicContact OD2-CZ 3.73Å; D61-R123 IonicContact OD2-NH1 3.86Å; D61-R123 PolarHBondContact OD2-NH1 3Å; D61-R123 IonicContact OD2-NH2 3.29Å; D61-R123 PolarHBondContact OD2-NH2 3.43Å; T64-R123 PolarHBondContact OG1-NH1 3.28Å; T66-R123 HydrophobicContact CG2-CG 4.1Å |
| 124 | L | 69.1 | Low | 62.8 | Low | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.9 | 174.1 | -71.4 | 81.6 | 0 | 0 | 0 | 109.5 | T64 I65 V67 L70 I118 L132 | T64-L124 CarbonylContact C-O 3.56Å; T64-L124 WeakPolarHBondContact CA-O 3.34Å; I65-L124 HydrophobicContact CG2-CB 3.96Å; I65-L124 PolarHBondContact N-O 2.97Å; I65-L124 PolarHBondContact O-N 2.9Å; V67-L124 HydrophobicContact CG2-CD1 4.16Å; L70-L124 HydrophobicContact CD2-CD1 4.32Å; L70-L124 HydrophobicContact CD2-CD2 3.93Å; I118-L124 HydrophobicContact CD1-CD1 4.38Å; I118-L124 HydrophobicContact CD1-CD2 3.92Å; I118-L124 HydrophobicContact CD1-CG 4.14Å; I118-L124 HydrophobicContact CG2-CD1 3.95Å; L124-L132 HydrophobicContact CD2-CD2 4.16Å |
| 125 | D | 70.1 | Confident | 63.6 | Low | 92 Ų | 92 | 76.4 Ų | 76.4 | 49% | 0.492 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 164.1 | 166.7 | -54.6 | -22.9 | 0 | 0 | 0 | 110.3 | T64 G128 L129 | T64-D125 WeakPolarHBondContact CG2-OD1 3.39Å; D125-G128 WeakPolarHBondContact O-CA 3.38Å; D125-G128 PolarHBondContact O-N 3.08Å; D125-L129 PolarHBondContact O-N 2.92Å; D125-L129 VanDerWaalsContact O-N 3.11Å |
| 126 | G | 66 | Low | 64.3 | Low | 8 Ų | 8 | 70.9 Ų | 70.9 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -45 | -46.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G128 L129 Q130 | G126-G128 VanDerWaalsContact C-N 3.29Å; G126-G128 PolarHBondContact O-N 3.08Å; G126-L129 PolarHBondContact O-N 2.64Å; G126-Q130 PolarHBondContact O-N 3.33Å |
| 127 | P | 69.8 | Low | 64.9 | Low | 97 Ų | 97 | 71.3 Ų | 71.3 | 63% | 0.63 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.4 | -30.3 | 176.3 | -24.1 | 35.2 | 0 | 0 | 0 | 114.2 | K131 | P127-K131 PolarHBondContact O-N 2.99Å |
| 128 | G | 68.3 | Low | 65.5 | Low | 32 Ų | 32 | 72.8 Ų | 72.8 | 33% | 0.33 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.7 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D125 G126 K131 L132 | D125-G128 WeakPolarHBondContact O-CA 3.38Å; D125-G128 PolarHBondContact O-N 3.08Å; G126-G128 VanDerWaalsContact C-N 3.29Å; G126-G128 PolarHBondContact O-N 3.08Å; G128-K131 PolarHBondContact O-N 3.09Å; G128-L132 PolarHBondContact O-N 3.2Å |
| 129 | L | 70.4 | Confident | 65.7 | Low | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.052 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 175.9 | -171.7 | 59.9 | 0 | 0 | 0 | 112 | L52 L55 L56 I65 L70 D125 G126 K131 L132 C133 M136 | L52-L129 HydrophobicContact CD1-CB 4.44Å; L52-L129 HydrophobicContact CD1-CD2 4.02Å; L52-L129 HydrophobicContact CD1-CG 4.44Å; L55-L129 HydrophobicContact CD2-CD2 3.64Å; L56-L129 HydrophobicContact CD2-CD2 4.32Å; I65-L129 HydrophobicContact CG2-CD2 4.46Å; L70-L129 HydrophobicContact CD1-CD1 3.78Å; D125-L129 PolarHBondContact O-N 2.92Å; D125-L129 VanDerWaalsContact O-N 3.11Å; G126-L129 PolarHBondContact O-N 2.64Å; L129-K131 VanDerWaalsContact C-N 3.26Å; L129-K131 PolarHBondContact O-N 3.04Å; L129-L132 PolarHBondContact O-N 3.18Å; L129-L132 VanDerWaalsContact O-N 3.11Å; L129-C133 PolarHBondContact O-N 3.45Å; L129-M136 HydrophobicContact CD1-CE 4.41Å; L129-M136 HydrophobicContact CD1-SD 3.99Å |
| 130 | Q | 72.4 | Confident | 66 | Low | 137 Ų | 137 | 73.2 Ų | 73.2 | 64% | 0.64 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.4 | -37 | 173.6 | -169.6 | -179.1 | 19.8 | 0 | 0 | 112.2 | G126 L132 | G126-Q130 PolarHBondContact O-N 3.33Å; Q130-L132 VanDerWaalsContact C-N 3.34Å |
| 131 | K | 70 | Confident | 66.1 | Low | 154 Ų | 154 | 74.3 Ų | 74.3 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.9 | -24.2 | 177.1 | -166.9 | 176.3 | -178.4 | -176.8 | 0 | 113.4 | P127 G128 L129 | P127-K131 PolarHBondContact O-N 2.99Å; G128-K131 PolarHBondContact O-N 3.09Å; L129-K131 VanDerWaalsContact C-N 3.26Å; L129-K131 PolarHBondContact O-N 3.04Å |
| 132 | L | 71.1 | Confident | 66.3 | Low | 18 Ų | 18 | 69 Ų | 69 | 9% | 0.094 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -89.1 | -26.7 | 177.9 | -167.4 | 67.7 | 0 | 0 | 0 | 112.8 | L70 Y116 L124 G128 L129 Q130 P134 T135 M136 | L70-L132 HydrophobicContact CD2-CD2 3.79Å; Y116-L132 HydrophobicContact CD2-CD1 4.33Å; Y116-L132 HydrophobicContact CE2-CD1 4.3Å; L124-L132 HydrophobicContact CD2-CD2 4.16Å; G128-L132 PolarHBondContact O-N 3.2Å; L129-L132 PolarHBondContact O-N 3.18Å; L129-L132 VanDerWaalsContact O-N 3.11Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; L132-P134 VanDerWaalsContact C-CD 3.48Å; L132-T135 WeakPolarHBondContact O-CB 3.41Å; L132-T135 PolarHBondContact O-N 3.06Å; L132-M136 HydrophobicContact CB-SD 4.3Å; L132-M136 HydrophobicContact CD2-CG 4.36Å; L132-M136 HydrophobicContact CD2-SD 3.96Å; L132-M136 HydrophobicContact CG-CG 4.02Å; L132-M136 HydrophobicContact CG-SD 3.96Å; L132-M136 PolarHBondContact O-N 3.25Å; L132-M136 VanDerWaalsContact O-N 3.12Å |
| 133 | C | 72 | Confident | 65.9 | Low | 55 Ų | 55 | 69.8 Ų | 69.8 | 37% | 0.372 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -48.2 | -44.9 | -176.5 | -178 | 0 | 0 | 0 | 0 | 115 | L129 T135 M136 L137 | L129-C133 PolarHBondContact O-N 3.45Å; C133-T135 VanDerWaalsContact C-N 3.29Å; C133-T135 PolarHBondContact O-N 2.97Å; C133-M136 PolarHBondContact O-N 2.57Å; C133-L137 WeakPolarHBondContact O-CG 3.49Å; C133-L137 PolarHBondContact O-N 3.15Å |
| 134 | P | 70.6 | Confident | 65.2 | Low | 84 Ų | 84 | 66 Ų | 66 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.5 | -36.1 | 177.3 | -23.8 | 35.1 | 0 | 0 | 0 | 113.5 | L132 Q138 | L132-P134 VanDerWaalsContact C-CD 3.48Å; P134-Q138 WeakPolarHBondContact O-CB 3.28Å; P134-Q138 PolarHBondContact O-N 3.01Å |
| 135 | T | 65.2 | Low | 64.3 | Low | 31 Ų | 31 | 68.2 Ų | 68.2 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.5 | -38.5 | 177.3 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | Y116 L132 C133 Q138 Q139 | Y116-T135 PolarHBondContact OH-OG1 3.3Å; Y116-T135 VanDerWaalsContact OH-OG1 3.11Å; L132-T135 WeakPolarHBondContact O-CB 3.41Å; L132-T135 PolarHBondContact O-N 3.06Å; C133-T135 VanDerWaalsContact C-N 3.29Å; C133-T135 PolarHBondContact O-N 2.97Å; T135-Q138 PolarHBondContact O-N 3.11Å; T135-Q139 WeakPolarHBondContact O-CG 3.45Å; T135-Q139 PolarHBondContact O-N 2.84Å; T135-Q139 VanDerWaalsContact O-N 3.08Å |
| 136 | M | 67.4 | Low | 63.2 | Low | 17 Ų | 17 | 72.3 Ų | 72.3 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 175.9 | -61.6 | 167 | 65.3 | 0 | 0 | 111.2 | L70 L74 L129 L132 C133 Q138 Q139 L140 | L70-M136 HydrophobicContact CD1-CE 3.91Å; L70-M136 HydrophobicContact CD1-SD 4.46Å; L74-M136 HydrophobicContact CD2-CB 4.15Å; L74-M136 HydrophobicContact CD2-CE 3.67Å; L74-M136 HydrophobicContact CD2-CG 4.05Å; L74-M136 HydrophobicContact CG-CE 3.99Å; L129-M136 HydrophobicContact CD1-CE 4.41Å; L129-M136 HydrophobicContact CD1-SD 3.99Å; L132-M136 HydrophobicContact CB-SD 4.3Å; L132-M136 HydrophobicContact CD2-CG 4.36Å; L132-M136 HydrophobicContact CD2-SD 3.96Å; L132-M136 HydrophobicContact CG-CG 4.02Å; L132-M136 HydrophobicContact CG-SD 3.96Å; L132-M136 PolarHBondContact O-N 3.25Å; L132-M136 VanDerWaalsContact O-N 3.12Å; C133-M136 PolarHBondContact O-N 2.57Å; M136-Q138 PolarHBondContact O-N 2.91Å; M136-Q139 PolarHBondContact O-N 2.88Å; M136-L140 WeakPolarHBondContact O-CG 3.17Å; M136-L140 PolarHBondContact O-N 3.28Å; M136-L140 VanDerWaalsContact O-N 3.12Å |
| 137 | L | 66.6 | Low | 62 | Low | 103 Ų | 103 | 77.7 Ų | 77.7 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.1 | -71.2 | 169.1 | 0 | 0 | 0 | 111.8 | C133 Q139 L140 D141 | C133-L137 WeakPolarHBondContact O-CG 3.49Å; C133-L137 PolarHBondContact O-N 3.15Å; L137-Q139 VanDerWaalsContact C-N 3.28Å; L137-Q139 PolarHBondContact O-N 3.49Å; L137-L140 PolarHBondContact O-N 3.28Å; L137-D141 WeakPolarHBondContact O-CB 3.19Å; L137-D141 PolarHBondContact O-N 2.9Å |
| 138 | Q | 63.8 | Low | 60.4 | Low | 142 Ų | 142 | 82.9 Ų | 82.9 | 66% | 0.664 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.4 | -30.9 | 176.7 | -171.3 | -179.9 | 4.3 | 0 | 0 | 113.1 | P134 T135 M136 A142 | P134-Q138 WeakPolarHBondContact O-CB 3.28Å; P134-Q138 PolarHBondContact O-N 3.01Å; T135-Q138 PolarHBondContact O-N 3.11Å; M136-Q138 PolarHBondContact O-N 2.91Å; Q138-A142 VanDerWaalsContact O-CB 3.3Å; Q138-A142 WeakPolarHBondContact O-CB 3.43Å; Q138-A142 PolarHBondContact O-N 3.38Å |
| 139 | Q | 62.7 | Low | 58.7 | Low | 64 Ų | 64 | 88.6 Ų | 88.6 | 30% | 0.299 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.9 | -33.4 | 175.7 | -75.7 | 177.9 | -42.6 | 0 | 0 | 113.2 | T135 M136 L137 | T135-Q139 WeakPolarHBondContact O-CG 3.45Å; T135-Q139 PolarHBondContact O-N 2.84Å; T135-Q139 VanDerWaalsContact O-N 3.08Å; M136-Q139 PolarHBondContact O-N 2.88Å; L137-Q139 VanDerWaalsContact C-N 3.28Å; L137-Q139 PolarHBondContact O-N 3.49Å |
| 140 | L | 61 | Low | 56.9 | Low | 31 Ų | 31 | 90.9 Ų | 90.9 | 16% | 0.162 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -70.4 | -53.8 | 176.3 | -71.3 | 165.5 | 0 | 0 | 0 | 110.4 | L77 Q81 M136 L137 A142 G143 | L77-L140 HydrophobicContact CB-CD1 4.24Å; L77-L140 HydrophobicContact CB-CD2 4.13Å; Q81-L140 PolarHBondContact OE1-O 3.06Å; M136-L140 WeakPolarHBondContact O-CG 3.17Å; M136-L140 PolarHBondContact O-N 3.28Å; M136-L140 VanDerWaalsContact O-N 3.12Å; L137-L140 PolarHBondContact O-N 3.28Å; L140-A142 VanDerWaalsContact C-N 3.28Å; L140-A142 PolarHBondContact O-N 3.26Å; L140-G143 WeakPolarHBondContact O-CA 3.45Å; L140-G143 PolarHBondContact O-N 3.12Å |
| 141 | D | 54.9 | Low | 55.1 | Low | 138 Ų | 138 | 93 Ų | 93 | 74% | 0.738 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -54.8 | -39.4 | 178.2 | -175.6 | 65.4 | 0 | 0 | 0 | 113.2 | L137 G143 | L137-D141 WeakPolarHBondContact O-CB 3.19Å; L137-D141 PolarHBondContact O-N 2.9Å; D141-G143 PolarHBondContact O-N 3.34Å |
| 142 | A | 58.1 | Low | 53.8 | Low | 56 Ų | 56 | 94.9 Ų | 94.9 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q138 L140 T144 | Q138-A142 VanDerWaalsContact O-CB 3.3Å; Q138-A142 WeakPolarHBondContact O-CB 3.43Å; Q138-A142 PolarHBondContact O-N 3.38Å; L140-A142 VanDerWaalsContact C-N 3.28Å; L140-A142 PolarHBondContact O-N 3.26Å; A142-T144 VanDerWaalsContact C-OG1 3.32Å; A142-T144 VanDerWaalsContact CB-OG1 3.28Å; A142-T144 WeakPolarHBondContact CB-OG1 3.28Å; A142-T144 PolarHBondContact O-N 3.19Å; A142-T144 PolarHBondContact O-OG1 3.47Å |
| 143 | G | 51.3 | Low | 52.1 | Low | 49 Ų | 49 | 101.2 Ų | 101.2 | 51% | 0.505 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 11.4 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | L140 D141 C145 | L140-G143 WeakPolarHBondContact O-CA 3.45Å; L140-G143 PolarHBondContact O-N 3.12Å; D141-G143 PolarHBondContact O-N 3.34Å; G143-C145 PolarHBondContact O-N 2.89Å |
| 144 | T | 47.7 | Very low | 50.4 | Low | 61 Ų | 61 | 103.3 Ų | 103.3 | 37% | 0.374 | 55% | 0.554 | S | S | . | * | trans | -84.5 | -13.7 | -153 | -28.3 | 0 | 0 | 0 | 0 | 114.1 | S105 C107 A142 | S105-T144 VanDerWaalsContact O-CG2 3.23Å; S105-T144 WeakPolarHBondContact O-CG2 3.39Å; C107-T144 PolarHBondContact SG-O 3.21Å; A142-T144 VanDerWaalsContact C-OG1 3.32Å; A142-T144 VanDerWaalsContact CB-OG1 3.28Å; A142-T144 WeakPolarHBondContact CB-OG1 3.28Å; A142-T144 PolarHBondContact O-N 3.19Å; A142-T144 PolarHBondContact O-OG1 3.47Å | ||
| 145 | C | 51.3 | Low | 48.7 | Very low | 54 Ų | 54 | 106.3 Ų | 106.3 | 37% | 0.365 | 57% | 0.571 | S | S | . | * | trans | -115.3 | 61 | -177.2 | -65.4 | 0 | 0 | 0 | 0 | 113.8 | C107 G143 T147 | C107-C145 WeakPolarHBondContact CA-SG 3.24Å; C107-C145 HydrophobicContact CB-CB 4.47Å; C107-C145 WeakPolarHBondContact CB-SG 3.35Å; C107-C145 WeakPolarHBondContact SG-CA 3.23Å; C107-C145 WeakPolarHBondContact SG-CB 3.28Å; C107-C145 CovalentContact SG-SG 2.05Å; C107-C145 PolarHBondContact SG-SG 3.26Å; G143-C145 PolarHBondContact O-N 2.89Å; C145-T147 PolarHBondContact O-N 3.21Å | ||
| 146 | K | 46.9 | Very low | 47 | Very low | 177 Ų | 177 | 110.2 Ų | 110.2 | 77% | 0.77 | 59% | 0.591 | S | S | * | * | trans | -67.1 | 113 | 156.4 | -64.9 | -168.2 | 176.1 | -168.1 | 0 | 109.1 | K148 | K146-K148 PolarHBondContact O-N 2.91Å; K146-K148 VanDerWaalsContact O-N 3.13Å | ||
| 147 | T | 39.6 | Very low | 46 | Very low | 122 Ų | 122 | 114.8 Ų | 114.8 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | trans | -64.8 | 108.9 | 177.5 | 6.7 | 0 | 0 | 0 | 0 | 110.4 | C145 K149 | C145-T147 PolarHBondContact O-N 3.21Å; T147-K149 VanDerWaalsContact C-N 3.31Å; T147-K149 PolarHBondContact O-N 3.34Å | ||
| 148 | K | 36.3 | Very low | 45.4 | Very low | 206 Ų | 206 | 113.7 Ų | 113.7 | 90% | 0.896 | 63% | 0.628 | S | S | * | * | trans | -67.4 | 92.8 | 160.7 | -76.5 | -165.5 | 172.4 | -165.6 | 0 | 108.8 | K146 G150 | K146-K148 PolarHBondContact O-N 2.91Å; K146-K148 VanDerWaalsContact O-N 3.13Å; K148-G150 PolarHBondContact O-N 3.47Å | ||
| 149 | K | 32.9 | Very low | 45.2 | Very low | 152 Ų | 152 | 112 Ų | 112 | 66% | 0.661 | 63% | 0.629 | S | S | * | * | trans | -62.8 | 118.8 | 156.7 | -88 | -172.7 | 168.1 | -170.5 | 0 | 107.6 | T147 | T147-K149 VanDerWaalsContact C-N 3.31Å; T147-K149 PolarHBondContact O-N 3.34Å | ||
| 150 | G | 32.7 | Very low | 45.5 | Very low | 57 Ų | 57 | 116.2 Ų | 116.2 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | trans | -82.8 | 143.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | K148 | K148-G150 PolarHBondContact O-N 3.47Š| ||
| 151 | E | 36 | Very low | 46.5 | Very low | 182 Ų | 182 | 115.4 Ų | 115.4 | 85% | 0.85 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 56.3 | 121.3 | 169 | -71.8 | 135.6 | 113.1 | 0 | 0 | 118.8 | ||
| 152 | E | 41.4 | Very low | 48.1 | Very low | 194 Ų | 194 | 111.9 Ų | 111.9 | 91% | 0.907 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 47.8 | 75.3 | 147.1 | -56.3 | -168.8 | 150.5 | 0 | 0 | 118.4 | ||
| 153 | L | 35.1 | Very low | 49.5 | Very low | 150 Ų | 150 | 113.7 Ų | 113.7 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | -176.3 | 88.6 | 114.4 | -173.1 | 65.3 | 0 | 0 | 0 | 108.7 | |||||
| 154 | I | 35.9 | Very low | 51.3 | Low | 99 Ų | 99 | 115 Ų | 115 | 51% | 0.508 | 63% | 0.633 | S | S | . | * | trans | -127.9 | 142.2 | 167.7 | -58.9 | 179.2 | 0 | 0 | 0 | 105.4 | D156 | I154-D156 WeakPolarHBondContact CB-OD1 3.42Å; I154-D156 WeakPolarHBondContact CG2-OD1 3.49Å; I154-D156 PolarHBondContact O-N 3.04Å; I154-D156 VanDerWaalsContact O-N 3.13Å | ||
| 155 | T | 36.5 | Very low | 53.2 | Low | 147 Ų | 147 | 116.1 Ų | 116.1 | 90% | 0.902 | 63% | 0.634 | S | S | * | * | trans | -80.1 | 86 | 163 | -56.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 156 | D | 30 | Very low | 55.2 | Low | 113 Ų | 113 | 113.7 Ų | 113.7 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 135.7 | -166.5 | -69.8 | -55.3 | 0 | 0 | 0 | 111.9 | I154 | I154-D156 WeakPolarHBondContact CB-OD1 3.42Å; I154-D156 WeakPolarHBondContact CG2-OD1 3.49Å; I154-D156 PolarHBondContact O-N 3.04Å; I154-D156 VanDerWaalsContact O-N 3.13Å |
| 157 | P | 46.3 | Very low | 57.5 | Low | 113 Ų | 113 | 109.9 Ų | 109.9 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -59.1 | 138.5 | 154 | 29.8 | -32.6 | 0 | 0 | 0 | 107.3 | ||
| 158 | A | 53.7 | Low | 60.1 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 67% | 0.669 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -47 | 132.4 | -161.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R160 | A158-R160 PolarHBondContact O-N 3.4Š|
| 159 | P | 58.8 | Low | 62.9 | Low | 106 Ų | 106 | 100.5 Ų | 100.5 | 69% | 0.688 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 136.9 | -175 | 24 | -34 | 0 | 0 | 0 | 110.7 | ||
| 160 | R | 69.6 | Low | 65.9 | Low | 153 Ų | 153 | 93.2 Ų | 93.2 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 124.4 | 177.3 | -175.6 | 179.6 | -179.3 | 132.8 | -0.8 | 108.4 | A158 T378 G438 N439 | A158-R160 PolarHBondContact O-N 3.4Å; R160-T378 PolarHBondContact NE-O 2.98Å; R160-G438 PolarHBondContact NH2-O 2.84Å; R160-N439 PolarHBondContact NH2-OD1 2.86Å |
| 161 | P | 82.1 | Confident | 68.9 | Low | 14 Ų | 14 | 94 Ų | 94 | 9% | 0.091 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 152.4 | -174.3 | 21.1 | -32 | 0 | 0 | 0 | 112.7 | E165 V166 F377 V381 | P161-E165 HydrophobicContact CB-CB 4.24Å; P161-V166 HydrophobicContact CB-CG2 3.97Å; P161-V166 HydrophobicContact CG-CG2 3.69Å; P161-F377 VanDerWaalsContact CG-O 3.23Å; P161-F377 WeakPolarHBondContact CG-O 3.3Å; P161-V381 HydrophobicContact CB-CG2 3.69Å; P161-V381 HydrophobicContact CG-CG2 4Å |
| 162 | S | 87.5 | Confident | 71.8 | Confident | 63 Ų | 63 | 89.9 Ų | 89.9 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 145.5 | 172 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | A164 E165 V166 | S162-A164 PolarHBondContact O-N 2.77Å; S162-A164 VanDerWaalsContact O-N 3.08Å; S162-E165 WeakPolarHBondContact CB-OE2 3.38Å; S162-E165 PolarHBondContact N-OE2 3.39Å; S162-E165 WeakPolarHBondContact O-CA 3.41Å; S162-E165 WeakPolarHBondContact O-CB 3.44Å; S162-E165 PolarHBondContact O-N 3.31Å; S162-V166 WeakPolarHBondContact O-CG2 3.15Å; S162-V166 PolarHBondContact O-N 2.93Å |
| 163 | D | 87.3 | Confident | 74.3 | Confident | 94 Ų | 94 | 81.6 Ų | 81.6 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -53 | -35.1 | 174.5 | -70.6 | -51.7 | 0 | 0 | 0 | 111.6 | E165 V166 W167 N439 | D163-E165 VanDerWaalsContact C-N 3.31Å; D163-E165 PolarHBondContact O-N 2.94Å; D163-V166 PolarHBondContact O-N 3.41Å; D163-W167 VanDerWaalsContact O-CD1 3.22Å; D163-W167 PolarHBondContact O-N 2.72Å; D163-N439 PolarHBondContact OD1-ND2 3.23Å |
| 164 | A | 89 | Confident | 77.2 | Confident | 76 Ų | 76 | 74.4 Ų | 74.4 | 63% | 0.628 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.1 | -31 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S162 G168 | S162-A164 PolarHBondContact O-N 2.77Å; S162-A164 VanDerWaalsContact O-N 3.08Å; A164-G168 WeakPolarHBondContact O-CA 3.18Å; A164-G168 PolarHBondContact O-N 3.1Å |
| 165 | E | 89 | Confident | 80 | Confident | 86 Ų | 86 | 72.2 Ų | 72.2 | 40% | 0.402 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -80 | -41.9 | 176.5 | -67.3 | 161.4 | 160.7 | 0 | 0 | 110.4 | P161 S162 D163 G168 Y169 | P161-E165 HydrophobicContact CB-CB 4.24Å; S162-E165 WeakPolarHBondContact CB-OE2 3.38Å; S162-E165 PolarHBondContact N-OE2 3.39Å; S162-E165 WeakPolarHBondContact O-CA 3.41Å; S162-E165 WeakPolarHBondContact O-CB 3.44Å; S162-E165 PolarHBondContact O-N 3.31Å; D163-E165 VanDerWaalsContact C-N 3.31Å; D163-E165 PolarHBondContact O-N 2.94Å; E165-G168 PolarHBondContact O-N 3.13Å; E165-Y169 HydrophobicContact CB-CD2 4.03Å; E165-Y169 HydrophobicContact CB-CE2 3.97Å; E165-Y169 HydrophobicContact CG-CE2 4.36Å; E165-Y169 WeakPolarHBondContact O-CB 3.48Å; E165-Y169 WeakPolarHBondContact O-CD2 3.35Å; E165-Y169 PolarHBondContact O-N 3.15Å |
| 166 | V | 92.7 | Very high | 82.6 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.012 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.7 | -51.6 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 111 | P161 S162 D163 G170 F377 T378 I435 | P161-V166 HydrophobicContact CB-CG2 3.97Å; P161-V166 HydrophobicContact CG-CG2 3.69Å; S162-V166 WeakPolarHBondContact O-CG2 3.15Å; S162-V166 PolarHBondContact O-N 2.93Å; D163-V166 PolarHBondContact O-N 3.41Å; V166-G170 PolarHBondContact O-N 2.66Å; V166-F377 HydrophobicContact CG1-CB 4.02Å; V166-T378 HydrophobicContact CG1-CG2 3.81Å; V166-I435 HydrophobicContact CG1-CB 4.35Å; V166-I435 HydrophobicContact CG1-CD1 3.96Å; V166-I435 HydrophobicContact CG1-CG1 3.74Å; V166-I435 HydrophobicContact CG1-CG2 3.76Å |
| 167 | W | 94.7 | Very high | 85.5 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 37% | 0.367 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 175.9 | -79.1 | 96.7 | 0 | 0 | 0 | 112.3 | D163 L171 M431 I435 | D163-W167 VanDerWaalsContact O-CD1 3.22Å; D163-W167 PolarHBondContact O-N 2.72Å; W167-L171 VanDerWaalsContact O-CB 3.25Å; W167-L171 WeakPolarHBondContact O-CB 3.28Å; W167-L171 WeakPolarHBondContact O-CD1 3.25Å; W167-L171 WeakPolarHBondContact O-CG 3.2Å; W167-L171 PolarHBondContact O-N 3.36Å; W167-M431 HydrophobicContact CE3-CE 3.75Å; W167-M431 HydrophobicContact CZ3-CE 3.52Å; W167-I435 HydrophobicContact CD2-CD1 3.76Å; W167-I435 HydrophobicContact CE3-CD1 3.92Å; W167-I435 HydrophobicContact CG-CD1 4.13Å; W167-I435 HydrophobicContact CZ2-CB 4.33Å; W167-I435 HydrophobicContact CZ2-CD1 4.4Å; W167-I435 HydrophobicContact CZ2-CG2 4.14Å; W167-I435 HydrophobicContact CZ3-CD1 4.32Å |
| 168 | G | 95 | Very high | 87.5 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.2 | -52 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A164 E165 L172 | A164-G168 WeakPolarHBondContact O-CA 3.18Å; A164-G168 PolarHBondContact O-N 3.1Å; E165-G168 PolarHBondContact O-N 3.13Å; G168-L172 WeakPolarHBondContact O-CB 3.4Å; G168-L172 PolarHBondContact O-N 3.35Å |
| 169 | Y | 94.4 | Very high | 89 | Confident | 92 Ų | 92 | 59.6 Ų | 59.6 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.5 | -39.1 | 177 | -66.1 | -58.4 | 0 | 0 | 0 | 111.9 | E165 L172 C173 F377 V381 | E165-Y169 HydrophobicContact CB-CD2 4.03Å; E165-Y169 HydrophobicContact CB-CE2 3.97Å; E165-Y169 HydrophobicContact CG-CE2 4.36Å; E165-Y169 WeakPolarHBondContact O-CB 3.48Å; E165-Y169 WeakPolarHBondContact O-CD2 3.35Å; E165-Y169 PolarHBondContact O-N 3.15Å; Y169-L172 PolarHBondContact O-N 2.62Å; Y169-C173 WeakPolarHBondContact O-CB 3.41Å; Y169-C173 PolarHBondContact O-N 3.48Å; Y169-C173 PolarHBondContact O-SG 3.49Å; Y169-F377 HydrophobicContact CD2-CE1 4.48Å; Y169-F377 HydrophobicContact CG-CE1 4.16Å; Y169-V381 HydrophobicContact CD2-CG1 4.02Å; Y169-V381 HydrophobicContact CE2-CG1 3.98Å; Y169-V381 HydrophobicContact CE2-CG2 4.44Å |
| 170 | G | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -53.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V166 L172 C173 V174 | V166-G170 PolarHBondContact O-N 2.66Å; G170-L172 VanDerWaalsContact C-N 3.33Å; G170-L172 PolarHBondContact O-N 2.94Å; G170-C173 PolarHBondContact O-N 2.87Å; G170-V174 WeakPolarHBondContact O-CG2 3.2Å; G170-V174 PolarHBondContact O-N 3.37Å |
| 171 | L | 96.4 | Very high | 90.1 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 38% | 0.377 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 177.4 | -74.1 | 170.2 | 0 | 0 | 0 | 112.2 | W167 T175 Y428 M431 | W167-L171 VanDerWaalsContact O-CB 3.25Å; W167-L171 WeakPolarHBondContact O-CB 3.28Å; W167-L171 WeakPolarHBondContact O-CD1 3.25Å; W167-L171 WeakPolarHBondContact O-CG 3.2Å; W167-L171 PolarHBondContact O-N 3.36Å; L171-T175 VanDerWaalsContact O-CB 3.24Å; L171-T175 WeakPolarHBondContact O-CB 3.45Å; L171-T175 PolarHBondContact O-N 3.48Å; L171-T175 PolarHBondContact O-OG1 3.26Å; L171-Y428 HydrophobicContact CD2-CD1 3.96Å; L171-Y428 HydrophobicContact CD2-CE1 4.29Å; L171-M431 HydrophobicContact CD2-CE 3.75Å; L171-M431 HydrophobicContact CD2-SD 4.02Å; L171-M431 HydrophobicContact CG-CE 4.1Å; L171-M431 HydrophobicContact CG-SD 4.1Å; L171-M431 PolarHBondContact N-SD 2.89Å |
| 172 | L | 95.9 | Very high | 89.8 | Confident | 96 Ų | 96 | 51.6 Ų | 51.6 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 176.5 | 178 | 61.9 | 0 | 0 | 0 | 111.8 | G168 Y169 G170 T175 L176 | G168-L172 WeakPolarHBondContact O-CB 3.4Å; G168-L172 PolarHBondContact O-N 3.35Å; Y169-L172 PolarHBondContact O-N 2.62Å; G170-L172 VanDerWaalsContact C-N 3.33Å; G170-L172 PolarHBondContact O-N 2.94Å; L172-T175 PolarHBondContact O-N 2.92Å; L172-L176 HydrophobicContact CD1-CD1 4.3Å; L172-L176 HydrophobicContact CD1-CG 4.47Å; L172-L176 HydrophobicContact CG-CD1 4.26Å; L172-L176 WeakPolarHBondContact O-CG 3.33Å; L172-L176 PolarHBondContact O-N 3.35Å |
| 173 | C | 95.6 | Very high | 89.1 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 14% | 0.135 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.9 | -49.6 | 179 | -75.9 | 0 | 0 | 0 | 0 | 111.8 | Y169 G170 T175 L176 I177 F377 S388 | Y169-C173 WeakPolarHBondContact O-CB 3.41Å; Y169-C173 PolarHBondContact O-N 3.48Å; Y169-C173 PolarHBondContact O-SG 3.49Å; G170-C173 PolarHBondContact O-N 2.87Å; C173-T175 VanDerWaalsContact C-N 3.29Å; C173-T175 PolarHBondContact O-N 3.39Å; C173-L176 PolarHBondContact O-N 2.83Å; C173-L176 VanDerWaalsContact O-N 3.13Å; C173-I177 VanDerWaalsContact O-CG1 3.31Å; C173-I177 WeakPolarHBondContact O-CG1 3.5Å; C173-I177 PolarHBondContact O-N 3.14Å; C173-F377 HydrophobicContact CB-CE2 4.22Å; C173-S388 WeakPolarHBondContact CB-OG 3.43Å |
| 174 | V | 95.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 175.1 | 176.4 | 0 | 0 | 0 | 0 | 111 | G170 L176 I177 S178 I373 C427 Y428 M431 | G170-V174 WeakPolarHBondContact O-CG2 3.2Å; G170-V174 PolarHBondContact O-N 3.37Å; V174-L176 VanDerWaalsContact C-N 3.35Å; V174-L176 PolarHBondContact O-N 3.06Å; V174-I177 PolarHBondContact O-N 3.09Å; V174-S178 PolarHBondContact O-N 3.18Å; V174-S178 PolarHBondContact O-OG 2.88Å; V174-S178 VanDerWaalsContact O-OG 3.09Å; V174-I373 HydrophobicContact CG2-CD1 4.05Å; V174-I373 HydrophobicContact CG2-CG2 4.29Å; V174-C427 HydrophobicContact CG1-CB 4.02Å; V174-Y428 HydrophobicContact CB-CE1 4.44Å; V174-Y428 HydrophobicContact CG1-CD1 3.85Å; V174-Y428 HydrophobicContact CG1-CD2 3.64Å; V174-Y428 HydrophobicContact CG1-CE1 3.86Å; V174-Y428 HydrophobicContact CG1-CE2 3.65Å; V174-Y428 HydrophobicContact CG1-CG 3.75Å; V174-M431 HydrophobicContact CG2-CB 3.95Å; V174-M431 HydrophobicContact CG2-CG 4.03Å; V174-M431 HydrophobicContact CG2-SD 4.1Å |
| 175 | T | 93.9 | Very high | 87 | Confident | 53 Ų | 53 | 46 Ų | 46 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | L171 L172 C173 L179 Y428 | L171-T175 VanDerWaalsContact O-CB 3.24Å; L171-T175 WeakPolarHBondContact O-CB 3.45Å; L171-T175 PolarHBondContact O-N 3.48Å; L171-T175 PolarHBondContact O-OG1 3.26Å; L172-T175 PolarHBondContact O-N 2.92Å; C173-T175 VanDerWaalsContact C-N 3.29Å; C173-T175 PolarHBondContact O-N 3.39Å; T175-L179 HydrophobicContact CG2-CD1 3.97Å; T175-L179 HydrophobicContact CG2-CG 4.34Å; T175-L179 VanDerWaalsContact O-CB 3.31Å; T175-L179 WeakPolarHBondContact O-CB 3.46Å; T175-L179 WeakPolarHBondContact O-CG 3.44Å; T175-L179 PolarHBondContact O-N 3.14Å; T175-Y428 WeakPolarHBondContact CA-OH 3.46Å; T175-Y428 PolarHBondContact OG1-OH 3.04Å |
| 176 | L | 91.8 | Very high | 86.2 | Confident | 90 Ų | 90 | 45.8 Ų | 45.8 | 47% | 0.471 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 177.6 | -71.1 | 168 | 0 | 0 | 0 | 111.9 | L172 C173 V174 L179 C180 | L172-L176 HydrophobicContact CD1-CD1 4.3Å; L172-L176 HydrophobicContact CD1-CG 4.47Å; L172-L176 HydrophobicContact CG-CD1 4.26Å; L172-L176 WeakPolarHBondContact O-CG 3.33Å; L172-L176 PolarHBondContact O-N 3.35Å; C173-L176 PolarHBondContact O-N 2.83Å; C173-L176 VanDerWaalsContact O-N 3.13Å; V174-L176 VanDerWaalsContact C-N 3.35Å; V174-L176 PolarHBondContact O-N 3.06Å; L176-L179 PolarHBondContact O-N 3.3Å; L176-C180 PolarHBondContact O-N 3.44Å |
| 177 | I | 91.1 | Very high | 85 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -53.6 | 176.4 | -63.2 | 165.1 | 0 | 0 | 0 | 110.2 | C173 V174 L179 C180 I373 I391 L392 E395 | C173-I177 VanDerWaalsContact O-CG1 3.31Å; C173-I177 WeakPolarHBondContact O-CG1 3.5Å; C173-I177 PolarHBondContact O-N 3.14Å; V174-I177 PolarHBondContact O-N 3.09Å; I177-L179 PolarHBondContact O-N 3.19Å; I177-L179 VanDerWaalsContact O-N 3.13Å; I177-C180 WeakPolarHBondContact O-CB 3.42Å; I177-C180 PolarHBondContact O-N 3.14Å; I177-I373 HydrophobicContact CD1-CD1 3.57Å; I177-I391 HydrophobicContact CD1-CB 4.3Å; I177-I391 HydrophobicContact CD1-CG2 3.92Å; I177-I391 HydrophobicContact CG2-CG2 4.35Å; I177-L392 HydrophobicContact CB-CD1 4.46Å; I177-L392 HydrophobicContact CG1-CB 4.12Å; I177-L392 HydrophobicContact CG1-CD1 3.91Å; I177-E395 HydrophobicContact CG2-CB 3.95Å; I177-E395 HydrophobicContact CG2-CG 3.66Å |
| 178 | S | 88.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -14.8 | 177.4 | -47.6 | 0 | 0 | 0 | 0 | 114.3 | V174 S181 Y428 | V174-S178 PolarHBondContact O-N 3.18Å; V174-S178 PolarHBondContact O-OG 2.88Å; V174-S178 VanDerWaalsContact O-OG 3.09Å; S178-S181 PolarHBondContact O-OG 3.35Å; S178-Y428 WeakPolarHBondContact OG-CE2 3.21Å |
| 179 | L | 85.8 | Confident | 82.6 | Confident | 92 Ų | 92 | 46.8 Ų | 46.8 | 48% | 0.482 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -80 | -27.3 | 169.1 | -78.8 | 172 | 0 | 0 | 0 | 112.1 | T175 L176 I177 L182 I183 | T175-L179 HydrophobicContact CG2-CD1 3.97Å; T175-L179 HydrophobicContact CG2-CG 4.34Å; T175-L179 VanDerWaalsContact O-CB 3.31Å; T175-L179 WeakPolarHBondContact O-CB 3.46Å; T175-L179 WeakPolarHBondContact O-CG 3.44Å; T175-L179 PolarHBondContact O-N 3.14Å; L176-L179 PolarHBondContact O-N 3.3Å; I177-L179 PolarHBondContact O-N 3.19Å; I177-L179 VanDerWaalsContact O-N 3.13Å; L179-L182 HydrophobicContact CD2-CD1 4.35Å; L179-L182 PolarHBondContact O-N 2.86Å; L179-I183 PolarHBondContact O-N 2.92Å |
| 180 | C | 79 | Confident | 81.5 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.9 | -32.9 | 176.9 | -87.2 | 0 | 0 | 0 | 0 | 112.8 | L176 I177 L182 I183 L392 F396 | L176-C180 PolarHBondContact O-N 3.44Å; I177-C180 WeakPolarHBondContact O-CB 3.42Å; I177-C180 PolarHBondContact O-N 3.14Å; C180-L182 PolarHBondContact O-N 2.83Å; C180-I183 VanDerWaalsContact O-CB 3.24Å; C180-I183 WeakPolarHBondContact O-CB 3.32Å; C180-I183 PolarHBondContact O-N 3.44Å; C180-L392 HydrophobicContact CB-CD1 4.32Å; C180-F396 HydrophobicContact CB-CD2 4.46Å |
| 181 | S | 71.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.8 | -37 | 175.5 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | S178 I183 G184 E399 | S178-S181 PolarHBondContact O-OG 3.35Å; S181-I183 PolarHBondContact O-N 3.42Å; S181-G184 PolarHBondContact O-N 3.33Å; S181-E399 WeakPolarHBondContact CB-OE1 3.37Å; S181-E399 VanDerWaalsContact CB-OE2 3.23Å; S181-E399 WeakPolarHBondContact CB-OE2 3.15Å; S181-E399 PolarHBondContact OG-OE1 3.05Å |
| 182 | L | 75.8 | Confident | 78.6 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -18.6 | 171.1 | -59.9 | -179.2 | 0 | 0 | 0 | 113.3 | L179 C180 G184 F421 | L179-L182 HydrophobicContact CD2-CD1 4.35Å; L179-L182 PolarHBondContact O-N 2.86Å; C180-L182 PolarHBondContact O-N 2.83Å; L182-G184 VanDerWaalsContact C-N 3.27Å; L182-G184 PolarHBondContact O-N 3.05Å; L182-F421 HydrophobicContact CD1-CD2 4.42Å; L182-F421 HydrophobicContact CD2-CB 4.39Å; L182-F421 HydrophobicContact CD2-CD2 4.12Å |
| 183 | I | 73.7 | Confident | 77.6 | Confident | 74 Ų | 74 | 58 Ų | 58 | 38% | 0.379 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.3 | -26 | 173.7 | -60.6 | 175 | 0 | 0 | 0 | 111.1 | L179 C180 S181 A185 S186 V187 F396 | L179-I183 PolarHBondContact O-N 2.92Å; C180-I183 VanDerWaalsContact O-CB 3.24Å; C180-I183 WeakPolarHBondContact O-CB 3.32Å; C180-I183 PolarHBondContact O-N 3.44Å; S181-I183 PolarHBondContact O-N 3.42Å; I183-A185 PolarHBondContact O-N 3.18Å; I183-S186 WeakPolarHBondContact O-CA 3.42Å; I183-S186 WeakPolarHBondContact O-CB 3.49Å; I183-S186 PolarHBondContact O-N 2.86Å; I183-V187 HydrophobicContact CG2-CG2 3.95Å; I183-V187 WeakPolarHBondContact O-CG2 3.38Å; I183-V187 PolarHBondContact O-N 3.26Å; I183-F396 HydrophobicContact CG2-CE2 4.49Å |
| 184 | G | 65.9 | Low | 76.7 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -50.7 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S181 L182 S186 V187 V188 | S181-G184 PolarHBondContact O-N 3.33Å; L182-G184 VanDerWaalsContact C-N 3.27Å; L182-G184 PolarHBondContact O-N 3.05Å; G184-S186 VanDerWaalsContact C-N 3.26Å; G184-S186 PolarHBondContact O-N 3.24Å; G184-V187 PolarHBondContact O-N 3.17Å; G184-V188 WeakPolarHBondContact O-CG2 3.39Å; G184-V188 PolarHBondContact O-N 2.96Å |
| 185 | A | 66.7 | Low | 75.9 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -53.8 | -39.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I183 V187 L417 | I183-A185 PolarHBondContact O-N 3.18Å; A185-V187 VanDerWaalsContact C-N 3.34Å; A185-L417 HydrophobicContact CB-CD1 3.61Å; A185-L417 HydrophobicContact CB-CD2 3.77Å; A185-L417 HydrophobicContact CB-CG 4.31Å |
| 186 | S | 70.4 | Confident | 75.3 | Confident | 81 Ų | 81 | 66 Ų | 66 | 57% | 0.566 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -79.9 | -18.1 | -178.2 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | I183 G184 P189 | I183-S186 WeakPolarHBondContact O-CA 3.42Å; I183-S186 WeakPolarHBondContact O-CB 3.49Å; I183-S186 PolarHBondContact O-N 2.86Å; G184-S186 VanDerWaalsContact C-N 3.26Å; G184-S186 PolarHBondContact O-N 3.24Å; S186-P189 WeakPolarHBondContact O-CD 3.23Å |
| 187 | V | 68.1 | Low | 74.8 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 13% | 0.127 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -87.7 | -27.5 | -177.3 | 174.5 | 0 | 0 | 0 | 0 | 112.4 | I183 G184 A185 P189 F190 M191 Y196 L400 | I183-V187 HydrophobicContact CG2-CG2 3.95Å; I183-V187 WeakPolarHBondContact O-CG2 3.38Å; I183-V187 PolarHBondContact O-N 3.26Å; G184-V187 PolarHBondContact O-N 3.17Å; A185-V187 VanDerWaalsContact C-N 3.34Å; V187-P189 VanDerWaalsContact C-CD 3.49Å; V187-F190 WeakPolarHBondContact O-CA 3.42Å; V187-F190 WeakPolarHBondContact O-CB 3.21Å; V187-F190 PolarHBondContact O-N 3.21Å; V187-M191 HydrophobicContact CG1-CG 4.33Å; V187-M191 PolarHBondContact O-N 2.85Å; V187-Y196 HydrophobicContact CG1-CD2 3.98Å; V187-Y196 HydrophobicContact CG1-CE1 4.45Å; V187-Y196 HydrophobicContact CG1-CE2 3.19Å; V187-L400 HydrophobicContact CB-CD1 4.04Å; V187-L400 HydrophobicContact CG1-CD1 3.78Å; V187-L400 HydrophobicContact CG2-CD1 4.42Å |
| 188 | V | 67.8 | Low | 74.5 | Confident | 41 Ų | 41 | 68 Ų | 68 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -40.5 | -51.6 | 176.3 | -170.6 | 0 | 0 | 0 | 0 | 115 | G184 F190 M191 F403 | G184-V188 WeakPolarHBondContact O-CG2 3.39Å; G184-V188 PolarHBondContact O-N 2.96Å; V188-F190 PolarHBondContact O-N 3.38Å; V188-F190 VanDerWaalsContact O-N 3.12Å; V188-M191 PolarHBondContact O-N 3.07Å; V188-F403 HydrophobicContact CG2-CD1 4.43Å; V188-F403 HydrophobicContact CG2-CE1 3.42Å; V188-F403 VanDerWaalsContact CG2-CE1 3.42Å; V188-F403 HydrophobicContact CG2-CZ 3.85Å |
| 189 | P | 72.8 | Confident | 74.4 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 62% | 0.623 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -64 | -16.8 | 179.6 | 24.7 | -35.2 | 0 | 0 | 0 | 114.6 | S186 V187 | S186-P189 WeakPolarHBondContact O-CD 3.23Å; V187-P189 VanDerWaalsContact C-CD 3.49Å |
| 190 | F | 69.4 | Low | 74.4 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -97.8 | -16.9 | -179.7 | -59.2 | -75 | 0 | 0 | 0 | 114 | V187 V188 K192 K193 | V187-F190 WeakPolarHBondContact O-CA 3.42Å; V187-F190 WeakPolarHBondContact O-CB 3.21Å; V187-F190 PolarHBondContact O-N 3.21Å; V188-F190 PolarHBondContact O-N 3.38Å; V188-F190 VanDerWaalsContact O-N 3.12Å; F190-K192 PolarHBondContact O-N 3.39Å; F190-K193 PolarHBondContact O-N 3.04Å |
| 191 | M | 66.6 | Low | 75 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28.1 | -175.2 | -69.8 | -173.6 | 78.1 | 0 | 0 | 114.9 | V187 V188 K193 Y196 V404 | V187-M191 HydrophobicContact CG1-CG 4.33Å; V187-M191 PolarHBondContact O-N 2.85Å; V188-M191 PolarHBondContact O-N 3.07Å; M191-K193 PolarHBondContact O-N 3.16Å; M191-K193 VanDerWaalsContact O-N 3.11Å; M191-Y196 HydrophobicContact CB-CD1 4.09Å; M191-Y196 HydrophobicContact CB-CE1 4.45Å; M191-Y196 HydrophobicContact CE-CE1 4.2Å; M191-Y196 HydrophobicContact CG-CD1 4.02Å; M191-Y196 HydrophobicContact CG-CE1 3.91Å; M191-V404 HydrophobicContact CE-CG2 3.35Å; M191-V404 HydrophobicContact SD-CG2 4.07Å |
| 192 | K | 65.1 | Low | 76 | Confident | 204 Ų | 204 | 69.3 Ų | 69.3 | 89% | 0.887 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -0.9 | -177.5 | -62.4 | -175.6 | 178.5 | -178.5 | 0 | 114.8 | F190 | F190-K192 PolarHBondContact O-N 3.39Š|
| 193 | K | 74.9 | Confident | 76.8 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -97.6 | 139.2 | -178.5 | -64.1 | 179.6 | 179.8 | 179.4 | 0 | 111 | F190 M191 F195 Y196 | F190-K193 PolarHBondContact O-N 3.04Å; M191-K193 PolarHBondContact O-N 3.16Å; M191-K193 VanDerWaalsContact O-N 3.11Å; K193-F195 PolarHBondContact O-N 2.73Å; K193-F195 VanDerWaalsContact O-N 3.15Å; K193-Y196 WeakPolarHBondContact O-CA 3.46Å; K193-Y196 WeakPolarHBondContact O-CB 3.12Å; K193-Y196 PolarHBondContact O-N 3.22Å |
| 194 | T | 76.1 | Confident | 77.8 | Confident | 75 Ų | 75 | 65 Ų | 65 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.1 | -27.2 | 173.2 | -43.3 | 0 | 0 | 0 | 0 | 113.1 | Y196 R198 | T194-Y196 PolarHBondContact O-N 3.12Å; T194-R198 WeakPolarHBondContact O-CD 3.43Å; T194-R198 WeakPolarHBondContact O-CG 3.23Å; T194-R198 PolarHBondContact O-N 2.97Å |
| 195 | F | 79.9 | Confident | 79.2 | Confident | 149 Ų | 149 | 64.8 Ų | 64.8 | 65% | 0.654 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58 | -33.2 | 169.5 | 178.2 | -99.2 | 0 | 0 | 0 | 112.5 | K193 L199 | K193-F195 PolarHBondContact O-N 2.73Å; K193-F195 VanDerWaalsContact O-N 3.15Å; F195-L199 HydrophobicContact CE1-CD2 4.07Å; F195-L199 WeakPolarHBondContact O-CB 3.32Å; F195-L199 PolarHBondContact O-N 3.33Å |
| 196 | Y | 80.4 | Confident | 80.6 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 7% | 0.071 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.1 | -50.9 | -176.4 | -173.8 | -97.6 | 0 | 0 | 0 | 112.8 | V187 M191 K193 T194 R198 L199 L200 L400 | V187-Y196 HydrophobicContact CG1-CD2 3.98Å; V187-Y196 HydrophobicContact CG1-CE1 4.45Å; V187-Y196 HydrophobicContact CG1-CE2 3.19Å; M191-Y196 HydrophobicContact CB-CD1 4.09Å; M191-Y196 HydrophobicContact CB-CE1 4.45Å; M191-Y196 HydrophobicContact CE-CE1 4.2Å; M191-Y196 HydrophobicContact CG-CD1 4.02Å; M191-Y196 HydrophobicContact CG-CE1 3.91Å; K193-Y196 WeakPolarHBondContact O-CA 3.46Å; K193-Y196 WeakPolarHBondContact O-CB 3.12Å; K193-Y196 PolarHBondContact O-N 3.22Å; T194-Y196 PolarHBondContact O-N 3.12Å; Y196-R198 PolarHBondContact O-N 2.87Å; Y196-L199 PolarHBondContact O-N 3.25Å; Y196-L200 HydrophobicContact CE1-CB 4.31Å; Y196-L200 HydrophobicContact CE1-CD2 4.22Å; Y196-L200 PolarHBondContact O-N 3.38Å; Y196-L400 HydrophobicContact CE1-CD2 4.3Å; Y196-L400 WeakPolarHBondContact OH-CD1 3.21Å; Y196-L400 WeakPolarHBondContact OH-CD2 3.18Å |
| 197 | K | 81.1 | Confident | 81.8 | Confident | 85 Ų | 85 | 59.8 Ų | 59.8 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.3 | -38 | 174.6 | -77.8 | -156.3 | 169.6 | -165.7 | 0 | 112.1 | L200 L201 E472 | K197-L200 PolarHBondContact O-N 3.21Å; K197-L201 WeakPolarHBondContact O-CB 3.36Å; K197-L201 PolarHBondContact O-N 3.35Å; K197-E472 IonicContact NZ-OE1 3.33Å; K197-E472 IonicContact NZ-OE2 2.72Å; K197-E472 PolarHBondContact NZ-OE2 2.99Å |
| 198 | R | 85.6 | Confident | 83.1 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.2 | -37 | 177.3 | -71.1 | 171.3 | 174 | -131.3 | -26.4 | 113.8 | T194 Y196 Y202 E473 I487 | T194-R198 WeakPolarHBondContact O-CD 3.43Å; T194-R198 WeakPolarHBondContact O-CG 3.23Å; T194-R198 PolarHBondContact O-N 2.97Å; Y196-R198 PolarHBondContact O-N 2.87Å; R198-Y202 PolarHBondContact O-N 3.49Å; R198-Y202 VanDerWaalsContact O-N 3.1Å; R198-E473 IonicContact CZ-OE2 3.31Å; R198-E473 VanDerWaalsContact CZ-OE2 3.31Å; R198-E473 IonicContact NE-OE1 3.44Å; R198-E473 PolarHBondContact NE-OE1 2.81Å; R198-E473 IonicContact NE-OE2 2.89Å; R198-E473 PolarHBondContact NE-OE2 2.62Å; R198-E473 IonicContact NH2-OE2 2.82Å; R198-E473 PolarHBondContact NH2-OE2 2.82Å; R198-I487 HydrophobicContact CB-CD1 3.85Å; R198-I487 HydrophobicContact CG-CD1 3.9Å |
| 199 | L | 86.5 | Confident | 84.5 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70 | -42 | 174.5 | -175.4 | 62.3 | 0 | 0 | 0 | 110.9 | F195 Y196 Y202 F203 | F195-L199 HydrophobicContact CE1-CD2 4.07Å; F195-L199 WeakPolarHBondContact O-CB 3.32Å; F195-L199 PolarHBondContact O-N 3.33Å; Y196-L199 PolarHBondContact O-N 3.25Å; L199-Y202 WeakPolarHBondContact O-CB 3.33Å; L199-Y202 PolarHBondContact O-N 3.36Å; L199-F203 HydrophobicContact CD1-CD2 4.11Å; L199-F203 HydrophobicContact CD1-CE2 3.61Å; L199-F203 HydrophobicContact CD1-CZ 4.49Å; L199-F203 HydrophobicContact CD2-CE2 4.35Å; L199-F203 HydrophobicContact CG-CD2 4Å; L199-F203 HydrophobicContact CG-CE2 3.74Å; L199-F203 WeakPolarHBondContact O-CD2 3.47Å; L199-F203 PolarHBondContact O-N 2.8Å |
| 200 | L | 86.2 | Confident | 85.6 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 174.9 | -175.8 | 58.6 | 0 | 0 | 0 | 111.5 | Y196 K197 Y202 F203 I204 P397 L400 | Y196-L200 HydrophobicContact CE1-CB 4.31Å; Y196-L200 HydrophobicContact CE1-CD2 4.22Å; Y196-L200 PolarHBondContact O-N 3.38Å; K197-L200 PolarHBondContact O-N 3.21Å; L200-Y202 VanDerWaalsContact C-N 3.26Å; L200-Y202 PolarHBondContact O-N 3.31Å; L200-F203 PolarHBondContact O-N 3.31Å; L200-I204 HydrophobicContact CD1-CD1 4.44Å; L200-I204 HydrophobicContact CD1-CG1 4.44Å; L200-I204 HydrophobicContact CG-CD1 4.02Å; L200-I204 HydrophobicContact CG-CG1 4.49Å; L200-I204 WeakPolarHBondContact O-CG1 3.28Å; L200-I204 PolarHBondContact O-N 3.14Å; L200-P397 HydrophobicContact CD1-CB 4.06Å; L200-L400 HydrophobicContact CD1-CD2 4.2Å; L200-L400 HydrophobicContact CD2-CD2 4.1Å |
| 201 | L | 90.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.8 | -35.9 | 174.4 | -178.2 | 66.8 | 0 | 0 | 0 | 112.7 | K197 A205 M466 V469 T484 I487 Q488 | K197-L201 WeakPolarHBondContact O-CB 3.36Å; K197-L201 PolarHBondContact O-N 3.35Å; L201-A205 VanDerWaalsContact O-CB 3.25Å; L201-A205 WeakPolarHBondContact O-CB 3.44Å; L201-A205 PolarHBondContact O-N 3.41Å; L201-A205 VanDerWaalsContact O-N 3.09Å; L201-M466 HydrophobicContact CD1-CG 3.82Å; L201-M466 WeakPolarHBondContact CD1-O 3.46Å; L201-V469 HydrophobicContact CB-CG1 4.29Å; L201-V469 HydrophobicContact CD1-CB 4.29Å; L201-V469 HydrophobicContact CD1-CG1 4.17Å; L201-T484 HydrophobicContact CD2-CG2 3.51Å; L201-I487 HydrophobicContact CB-CG2 4.26Å; L201-I487 HydrophobicContact CD2-CG2 4.1Å; L201-I487 HydrophobicContact CG-CG2 4.04Å; L201-Q488 HydrophobicContact CD1-CG 4.11Å; L201-Q488 HydrophobicContact CD2-CG 4.3Å; L201-Q488 HydrophobicContact CG-CG 4.26Å |
| 202 | Y | 93.3 | Very high | 88.3 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 172.2 | 176.2 | -94.2 | 0 | 0 | 0 | 111.6 | R198 L199 L200 A205 L206 A490 | R198-Y202 PolarHBondContact O-N 3.49Å; R198-Y202 VanDerWaalsContact O-N 3.1Å; L199-Y202 WeakPolarHBondContact O-CB 3.33Å; L199-Y202 PolarHBondContact O-N 3.36Å; L200-Y202 VanDerWaalsContact C-N 3.26Å; L200-Y202 PolarHBondContact O-N 3.31Å; Y202-A205 PolarHBondContact O-N 3.2Å; Y202-L206 HydrophobicContact CE1-CD2 4.33Å; Y202-L206 WeakPolarHBondContact O-CB 3.47Å; Y202-L206 PolarHBondContact O-N 3.32Å; Y202-A490 HydrophobicContact CD2-CB 4.36Å; Y202-A490 HydrophobicContact CE2-CB 4.13Å |
| 203 | F | 92.5 | Very high | 89.8 | Confident | 52 Ų | 52 | 35.5 Ų | 35.5 | 23% | 0.228 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.9 | -40.2 | 179.3 | -79.1 | -65.9 | 0 | 0 | 0 | 113.3 | L199 L200 A205 L206 A207 F396 P397 | L199-F203 HydrophobicContact CD1-CD2 4.11Å; L199-F203 HydrophobicContact CD1-CE2 3.61Å; L199-F203 HydrophobicContact CD1-CZ 4.49Å; L199-F203 HydrophobicContact CD2-CE2 4.35Å; L199-F203 HydrophobicContact CG-CD2 4Å; L199-F203 HydrophobicContact CG-CE2 3.74Å; L199-F203 WeakPolarHBondContact O-CD2 3.47Å; L199-F203 PolarHBondContact O-N 2.8Å; L200-F203 PolarHBondContact O-N 3.31Å; F203-A205 VanDerWaalsContact C-N 3.31Å; F203-A205 PolarHBondContact O-N 2.94Å; F203-L206 HydrophobicContact CD1-CD2 3.94Å; F203-L206 HydrophobicContact CE1-CD2 4.19Å; F203-L206 WeakPolarHBondContact O-CB 3.3Å; F203-L206 PolarHBondContact O-N 3.31Å; F203-L206 VanDerWaalsContact O-N 3.14Å; F203-A207 PolarHBondContact O-N 3.04Å; F203-F396 HydrophobicContact CB-CD1 4.15Å; F203-F396 AromaticContact CD1-CD1 3.94Å; F203-F396 HydrophobicContact CD1-CD1 3.94Å; F203-F396 HydrophobicContact CD1-CE1 4.38Å; F203-F396 AromaticContact CD2-CD1 3.81Å; F203-F396 HydrophobicContact CD2-CD1 3.81Å; F203-F396 AromaticContact CD2-CE1 3.48Å; F203-F396 HydrophobicContact CD2-CE1 3.48Å; F203-F396 VanDerWaalsContact CD2-CE1 3.48Å; F203-F396 HydrophobicContact CE1-CD1 4.27Å; F203-F396 HydrophobicContact CE1-CE1 4.49Å; F203-F396 HydrophobicContact CE2-CD1 4.14Å; F203-F396 AromaticContact CE2-CE1 3.6Å; F203-F396 HydrophobicContact CE2-CE1 3.6Å; F203-F396 HydrophobicContact CE2-CZ 4.42Å; F203-F396 AromaticContact CG-CD1 3.71Å; F203-F396 HydrophobicContact CG-CD1 3.71Å; F203-F396 AromaticContact CG-CE1 3.91Å; F203-F396 HydrophobicContact CG-CE1 3.91Å; F203-F396 HydrophobicContact CZ-CD1 4.36Å; F203-F396 HydrophobicContact CZ-CE1 4.13Å; F203-P397 HydrophobicContact CB-CB 4.39Å; F203-P397 HydrophobicContact CB-CG 4.36Å |
| 204 | I | 93.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 172.5 | -58.9 | 160.3 | 0 | 0 | 0 | 109.9 | L200 L206 A207 I208 P397 M462 E465 M466 V469 | L200-I204 HydrophobicContact CD1-CD1 4.44Å; L200-I204 HydrophobicContact CD1-CG1 4.44Å; L200-I204 HydrophobicContact CG-CD1 4.02Å; L200-I204 HydrophobicContact CG-CG1 4.49Å; L200-I204 WeakPolarHBondContact O-CG1 3.28Å; L200-I204 PolarHBondContact O-N 3.14Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 2.8Å; I204-A207 WeakPolarHBondContact O-CB 3.41Å; I204-A207 PolarHBondContact O-N 3.29Å; I204-I208 HydrophobicContact CG2-CD1 4.22Å; I204-I208 WeakPolarHBondContact O-CD1 3.31Å; I204-I208 WeakPolarHBondContact O-CG1 3.45Å; I204-I208 PolarHBondContact O-N 2.87Å; I204-I208 VanDerWaalsContact O-N 3.14Å; I204-P397 HydrophobicContact CG1-CB 3.7Å; I204-M462 HydrophobicContact CG2-CB 4.21Å; I204-M462 WeakPolarHBondContact CG2-O 3.34Å; I204-M462 HydrophobicContact CG2-SD 4.03Å; I204-E465 HydrophobicContact CD1-CG 4.23Å; I204-M466 HydrophobicContact CG2-CB 3.79Å; I204-M466 HydrophobicContact CG2-CG 4.39Å; I204-V469 HydrophobicContact CD1-CG2 4.46Å |
| 205 | A | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.2 | -35.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L201 Y202 F203 G209 M466 G491 L492 | L201-A205 VanDerWaalsContact O-CB 3.25Å; L201-A205 WeakPolarHBondContact O-CB 3.44Å; L201-A205 PolarHBondContact O-N 3.41Å; L201-A205 VanDerWaalsContact O-N 3.09Å; Y202-A205 PolarHBondContact O-N 3.2Å; F203-A205 VanDerWaalsContact C-N 3.31Å; F203-A205 PolarHBondContact O-N 2.94Å; A205-G209 PolarHBondContact O-N 3.03Å; A205-M466 HydrophobicContact CB-CG 4.42Å; A205-M466 HydrophobicContact CB-SD 3.72Å; A205-G491 CarbonylContact O-C 3.57Å; A205-L492 HydrophobicContact CB-CG 4.31Å; A205-L492 VanDerWaalsContact O-CA 3.28Å; A205-L492 WeakPolarHBondContact O-CA 3.2Å; A205-L492 WeakPolarHBondContact O-CD2 3.42Å; A205-L492 PolarHBondContact O-N 3.07Å |
| 206 | L | 96.4 | Very high | 92.4 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 7% | 0.068 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 174.3 | -173.7 | 72.2 | 0 | 0 | 0 | 111.2 | Y202 F203 I204 G209 T210 C393 T494 I498 | Y202-L206 HydrophobicContact CE1-CD2 4.33Å; Y202-L206 WeakPolarHBondContact O-CB 3.47Å; Y202-L206 PolarHBondContact O-N 3.32Å; F203-L206 HydrophobicContact CD1-CD2 3.94Å; F203-L206 HydrophobicContact CE1-CD2 4.19Å; F203-L206 WeakPolarHBondContact O-CB 3.3Å; F203-L206 PolarHBondContact O-N 3.31Å; F203-L206 VanDerWaalsContact O-N 3.14Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 2.8Å; L206-G209 CarbonylContact O-C 3.53Å; L206-G209 WeakPolarHBondContact O-CA 3.37Å; L206-G209 PolarHBondContact O-N 2.9Å; L206-G209 VanDerWaalsContact O-N 3.09Å; L206-T210 PolarHBondContact O-N 3.28Å; L206-T210 PolarHBondContact O-OG1 2.95Å; L206-C393 HydrophobicContact CD2-CB 4.33Å; L206-C393 HydrophobicContact CG-CB 4.39Å; L206-T494 HydrophobicContact CD1-CG2 3.88Å; L206-I498 HydrophobicContact CD1-CD1 4.34Å |
| 207 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.2 | -55.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F203 I204 G209 T210 L211 C393 E394 P397 | F203-A207 PolarHBondContact O-N 3.04Å; I204-A207 WeakPolarHBondContact O-CB 3.41Å; I204-A207 PolarHBondContact O-N 3.29Å; A207-G209 PolarHBondContact O-N 3.28Å; A207-T210 PolarHBondContact O-N 3.13Å; A207-T210 PolarHBondContact O-OG1 2.76Å; A207-L211 WeakPolarHBondContact O-CB 3.03Å; A207-L211 VanDerWaalsContact O-CG 3.23Å; A207-L211 WeakPolarHBondContact O-CG 3.05Å; A207-L211 PolarHBondContact O-N 2.84Å; A207-C393 WeakPolarHBondContact CB-O 3.48Å; A207-E394 HydrophobicContact CB-CB 4.01Å; A207-P397 HydrophobicContact CB-CG 4.1Å |
| 208 | I | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -54.7 | -41.2 | 176.2 | -58.8 | 156 | 0 | 0 | 0 | 110.3 | I204 Y212 F244 A458 M462 F463 M466 L492 | I204-I208 HydrophobicContact CG2-CD1 4.22Å; I204-I208 WeakPolarHBondContact O-CD1 3.31Å; I204-I208 WeakPolarHBondContact O-CG1 3.45Å; I204-I208 PolarHBondContact O-N 2.87Å; I204-I208 VanDerWaalsContact O-N 3.14Å; I208-Y212 VanDerWaalsContact O-CB 3.28Å; I208-Y212 WeakPolarHBondContact O-CB 3.38Å; I208-Y212 PolarHBondContact O-N 3.17Å; I208-F244 HydrophobicContact CG2-CZ 4.45Å; I208-A458 HydrophobicContact CG2-CB 4.48Å; I208-M462 HydrophobicContact CD1-CB 4.22Å; I208-M462 HydrophobicContact CG1-CB 3.64Å; I208-F463 HydrophobicContact CD1-CB 4.07Å; I208-F463 HydrophobicContact CD1-CD2 4.39Å; I208-F463 HydrophobicContact CG1-CB 4.47Å; I208-F463 HydrophobicContact CG2-CD2 4.49Å; I208-M466 HydrophobicContact CD1-CB 3.82Å; I208-M466 HydrophobicContact CD1-CE 3.95Å; I208-M466 HydrophobicContact CD1-CG 4.18Å; I208-M466 HydrophobicContact CD1-SD 3.64Å; I208-L492 HydrophobicContact CB-CD2 3.71Å; I208-L492 HydrophobicContact CG2-CD2 3.55Å |
| 209 | G | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A205 L206 A207 S213 G495 F496 | A205-G209 PolarHBondContact O-N 3.03Å; L206-G209 CarbonylContact O-C 3.53Å; L206-G209 WeakPolarHBondContact O-CA 3.37Å; L206-G209 PolarHBondContact O-N 2.9Å; L206-G209 VanDerWaalsContact O-N 3.09Å; A207-G209 PolarHBondContact O-N 3.28Å; G209-S213 WeakPolarHBondContact O-CB 3.37Å; G209-S213 PolarHBondContact O-OG 3.1Å; G209-G495 CarbonylContact O-C 3.56Å; G209-F496 PolarHBondContact O-N 3.22Å |
| 210 | T | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -76.4 | -47.4 | 179.8 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | L206 A207 S213 N214 A390 C393 M499 | L206-T210 PolarHBondContact O-N 3.28Å; L206-T210 PolarHBondContact O-OG1 2.95Å; A207-T210 PolarHBondContact O-N 3.13Å; A207-T210 PolarHBondContact O-OG1 2.76Å; T210-S213 CarbonylContact O-C 3.55Å; T210-S213 PolarHBondContact O-N 3.41Å; T210-N214 WeakPolarHBondContact O-CB 3.2Å; T210-N214 PolarHBondContact O-N 3.34Å; T210-A390 PolarHBondContact OG1-O 2.98Å; T210-C393 HydrophobicContact CG2-CB 3.99Å; T210-C393 WeakPolarHBondContact OG1-CB 3.31Å; T210-M499 HydrophobicContact CG2-CG 4.32Å; T210-M499 HydrophobicContact CG2-SD 4.37Å; T210-M499 WeakPolarHBondContact O-CG 3.38Å |
| 211 | L | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.6 | -54.2 | -173.3 | -63.7 | 173.4 | 0 | 0 | 0 | 113.8 | A207 S213 N214 A215 E394 F454 I457 A458 | A207-L211 WeakPolarHBondContact O-CB 3.03Å; A207-L211 VanDerWaalsContact O-CG 3.23Å; A207-L211 WeakPolarHBondContact O-CG 3.05Å; A207-L211 PolarHBondContact O-N 2.84Å; L211-S213 PolarHBondContact O-N 3.23Å; L211-N214 PolarHBondContact O-N 2.96Å; L211-A215 PolarHBondContact O-N 3Å; L211-E394 HydrophobicContact CD1-CB 3.67Å; L211-E394 HydrophobicContact CD1-CG 4.3Å; L211-E394 WeakPolarHBondContact CD1-OE2 3.26Å; L211-E394 HydrophobicContact CD2-CB 3.95Å; L211-E394 HydrophobicContact CD2-CG 4.11Å; L211-E394 WeakPolarHBondContact CD2-OE1 3.42Å; L211-E394 VanDerWaalsContact CD2-OE2 3.28Å; L211-E394 WeakPolarHBondContact CD2-OE2 3.47Å; L211-E394 HydrophobicContact CG-CB 4.02Å; L211-F454 HydrophobicContact CD2-CD2 3.77Å; L211-F454 HydrophobicContact CD2-CE2 4.02Å; L211-F454 HydrophobicContact CD2-CG 4.36Å; L211-I457 HydrophobicContact CD1-CB 4.46Å; L211-I457 HydrophobicContact CD1-CG2 3.99Å; L211-A458 HydrophobicContact CB-CB 3.9Å; L211-A458 HydrophobicContact CD1-CB 4.24Å |
| 212 | Y | 96.5 | Very high | 94.2 | Very high | 20 Ų | 20 | 14.6 Ų | 14.6 | 8% | 0.078 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.6 | -34.8 | 179.7 | 178 | -84.5 | 0 | 0 | 0 | 110.3 | I208 L216 F241 F244 L455 L459 | I208-Y212 VanDerWaalsContact O-CB 3.28Å; I208-Y212 WeakPolarHBondContact O-CB 3.38Å; I208-Y212 PolarHBondContact O-N 3.17Å; Y212-L216 HydrophobicContact CD1-CD1 3.88Å; Y212-L216 HydrophobicContact CE1-CD1 3.26Å; Y212-L216 HydrophobicContact CE1-CG 4.24Å; Y212-L216 WeakPolarHBondContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CG 3.29Å; Y212-L216 PolarHBondContact O-N 2.94Å; Y212-L216 VanDerWaalsContact O-N 3.14Å; Y212-F241 AromaticContact CD1-CD2 3.49Å; Y212-F241 HydrophobicContact CD1-CD2 3.49Å; Y212-F241 VanDerWaalsContact CD1-CD2 3.49Å; Y212-F241 AromaticContact CD1-CE2 3.91Å; Y212-F241 HydrophobicContact CD1-CE2 3.91Å; Y212-F241 HydrophobicContact CD1-CG 4.49Å; Y212-F241 HydrophobicContact CE1-CB 4.18Å; Y212-F241 AromaticContact CE1-CD2 3.65Å; Y212-F241 HydrophobicContact CE1-CD2 3.65Å; Y212-F241 HydrophobicContact CE1-CE2 4.37Å; Y212-F241 HydrophobicContact CE1-CG 4.23Å; Y212-F244 HydrophobicContact CE1-CB 4.48Å; Y212-F244 HydrophobicContact CE1-CD1 4.3Å; Y212-L455 HydrophobicContact CD2-CD2 3.38Å; Y212-L455 HydrophobicContact CE2-CD2 3.75Å; Y212-L455 HydrophobicContact CG-CD2 4.09Å; Y212-L459 HydrophobicContact CD2-CD1 4.05Å; Y212-L459 HydrophobicContact CD2-CD2 3.72Å; Y212-L459 HydrophobicContact CD2-CG 3.93Å; Y212-L459 HydrophobicContact CE2-CD1 3.92Å; Y212-L459 HydrophobicContact CE2-CD2 3.89Å; Y212-L459 HydrophobicContact CE2-CG 4.22Å |
| 213 | S | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -72 | -39.6 | 173.2 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | G209 T210 L211 A215 L216 F217 | G209-S213 WeakPolarHBondContact O-CB 3.37Å; G209-S213 PolarHBondContact O-OG 3.1Å; T210-S213 CarbonylContact O-C 3.55Å; T210-S213 PolarHBondContact O-N 3.41Å; L211-S213 PolarHBondContact O-N 3.23Å; S213-A215 VanDerWaalsContact C-N 3.34Å; S213-L216 PolarHBondContact O-N 3.47Å; S213-F217 WeakPolarHBondContact O-CB 3.45Å; S213-F217 WeakPolarHBondContact O-CD2 3.29Å; S213-F217 WeakPolarHBondContact O-CG 3.35Å; S213-F217 PolarHBondContact O-N 3.15Å |
| 214 | N | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.8 | -165.8 | 47.1 | 0 | 0 | 0 | 111.3 | T210 L211 Q218 L219 A390 F454 M499 | T210-N214 WeakPolarHBondContact O-CB 3.2Å; T210-N214 PolarHBondContact O-N 3.34Å; L211-N214 PolarHBondContact O-N 2.96Å; N214-Q218 WeakPolarHBondContact O-CA 3.28Å; N214-Q218 WeakPolarHBondContact O-CB 3.39Å; N214-Q218 PolarHBondContact O-N 3.3Å; N214-Q218 PolarHBondContact OD1-OE1 3.43Å; N214-L219 PolarHBondContact O-N 2.89Å; N214-A390 HydrophobicContact CB-CB 3.75Å; N214-F454 HydrophobicContact CB-CD2 4.32Å; N214-F454 WeakPolarHBondContact ND2-CE2 3.43Å; N214-M499 HydrophobicContact CB-CE 3.84Å; N214-M499 WeakPolarHBondContact OD1-CE 3.36Å |
| 215 | A | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -59.3 | -51.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L211 S213 I220 F454 L455 | L211-A215 PolarHBondContact O-N 3Å; S213-A215 VanDerWaalsContact C-N 3.34Å; A215-I220 HydrophobicContact CB-CD1 4.13Å; A215-I220 VanDerWaalsContact O-CB 3.22Å; A215-I220 WeakPolarHBondContact O-CB 3.34Å; A215-I220 VanDerWaalsContact O-CG1 3.28Å; A215-I220 WeakPolarHBondContact O-CG1 3.36Å; A215-I220 PolarHBondContact O-N 3Å; A215-F454 HydrophobicContact CB-CB 4.18Å; A215-L455 HydrophobicContact CB-CD2 3.97Å; A215-L455 HydrophobicContact CB-CG 3.76Å |
| 216 | L | 94.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 23.9 Ų | 23.9 | 13% | 0.126 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -74.4 | -26.9 | -177.1 | -71.4 | -175.6 | 0 | 0 | 0 | 115.5 | Y212 S213 P221 S237 V240 | Y212-L216 HydrophobicContact CD1-CD1 3.88Å; Y212-L216 HydrophobicContact CE1-CD1 3.26Å; Y212-L216 HydrophobicContact CE1-CG 4.24Å; Y212-L216 WeakPolarHBondContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CG 3.29Å; Y212-L216 PolarHBondContact O-N 2.94Å; Y212-L216 VanDerWaalsContact O-N 3.14Å; S213-L216 PolarHBondContact O-N 3.47Å; L216-P221 VanDerWaalsContact O-CG 3.31Å; L216-P221 WeakPolarHBondContact O-CG 3.48Å; L216-S237 VanDerWaalsContact O-CB 3.29Å; L216-S237 WeakPolarHBondContact O-CB 3.23Å; L216-S237 PolarHBondContact O-OG 3.46Å; L216-V240 HydrophobicContact CD1-CB 4.02Å; L216-V240 HydrophobicContact CD1-CG1 3.7Å; L216-V240 HydrophobicContact CD2-CG1 4.16Å |
| 217 | F | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -102.9 | -20.1 | -175.7 | -68 | -48.3 | 0 | 0 | 0 | 114.4 | S213 Y233 V234 A238 F496 M499 L500 T503 | S213-F217 WeakPolarHBondContact O-CB 3.45Å; S213-F217 WeakPolarHBondContact O-CD2 3.29Å; S213-F217 WeakPolarHBondContact O-CG 3.35Å; S213-F217 PolarHBondContact O-N 3.15Å; F217-Y233 WeakPolarHBondContact O-CE2 3.28Å; F217-Y233 PolarHBondContact O-OH 3.16Å; F217-Y233 VanDerWaalsContact O-OH 3.06Å; F217-V234 HydrophobicContact CD1-CG1 4.03Å; F217-V234 HydrophobicContact CE1-CG1 4Å; F217-V234 WeakPolarHBondContact CE1-O 3.4Å; F217-A238 HydrophobicContact CE1-CB 4.1Å; F217-A238 HydrophobicContact CZ-CB 4.11Å; F217-F496 AromaticContact CE2-CD2 3.98Å; F217-F496 HydrophobicContact CE2-CD2 3.98Å; F217-F496 AromaticContact CE2-CE2 3.71Å; F217-F496 HydrophobicContact CE2-CE2 3.71Å; F217-F496 HydrophobicContact CZ-CD2 4.24Å; F217-F496 AromaticContact CZ-CE2 3.51Å; F217-F496 HydrophobicContact CZ-CE2 3.51Å; F217-F496 HydrophobicContact CZ-CZ 4.1Å; F217-M499 HydrophobicContact CD2-CB 4.17Å; F217-L500 HydrophobicContact CE1-CD1 4.17Å; F217-L500 HydrophobicContact CE2-CB 4.01Å; F217-L500 HydrophobicContact CE2-CD1 4.35Å; F217-L500 HydrophobicContact CZ-CB 4.25Å; F217-L500 HydrophobicContact CZ-CD1 3.81Å; F217-T503 HydrophobicContact CB-CG2 4.12Å; F217-T503 WeakPolarHBondContact CB-OG1 3.45Å |
| 218 | Q | 90.9 | Very high | 89.9 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -133.8 | -65 | -172 | -56.2 | -173.5 | 6 | 0 | 0 | 111.2 | N214 I220 P221 E222 S386 T503 | N214-Q218 WeakPolarHBondContact O-CA 3.28Å; N214-Q218 WeakPolarHBondContact O-CB 3.39Å; N214-Q218 PolarHBondContact O-N 3.3Å; N214-Q218 PolarHBondContact OD1-OE1 3.43Å; Q218-I220 PolarHBondContact O-N 3.35Å; Q218-P221 WeakPolarHBondContact O-CD 3.18Å; Q218-E222 WeakPolarHBondContact O-CB 3.4Å; Q218-E222 PolarHBondContact O-N 3.09Å; Q218-S386 PolarHBondContact NE2-OG 3.01Å; Q218-S386 VanDerWaalsContact OE1-CB 3.24Å; Q218-S386 PolarHBondContact OE1-OG 2.96Å; Q218-T503 PolarHBondContact NE2-OG1 3.14Å |
| 219 | L | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -64.7 | -48.3 | -170.7 | -56.7 | 176.6 | 0 | 0 | 0 | 113.2 | N214 A223 F447 A450 F454 | N214-L219 PolarHBondContact O-N 2.89Å; L219-A223 VanDerWaalsContact O-CB 3.28Å; L219-A223 WeakPolarHBondContact O-CB 3.43Å; L219-A223 PolarHBondContact O-N 2.89Å; L219-F447 HydrophobicContact CD2-CD1 3.95Å; L219-F447 WeakPolarHBondContact O-CB 3.19Å; L219-A450 HydrophobicContact CD1-CB 3.96Å; L219-F454 HydrophobicContact CD1-CD1 4.25Å; L219-F454 HydrophobicContact CD1-CD2 3.68Å; L219-F454 HydrophobicContact CD1-CE1 4.34Å; L219-F454 HydrophobicContact CD1-CE2 3.83Å; L219-F454 HydrophobicContact CD1-CG 3.91Å; L219-F454 HydrophobicContact CD1-CZ 4.14Å |
| 220 | I | 93.8 | Very high | 86.7 | Confident | 48 Ų | 48 | 37.7 Ų | 37.7 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.8 | -44.4 | -178.9 | -60.7 | 169.7 | 0 | 0 | 0 | 111.7 | A215 Q218 A223 F224 L455 | A215-I220 HydrophobicContact CB-CD1 4.13Å; A215-I220 VanDerWaalsContact O-CB 3.22Å; A215-I220 WeakPolarHBondContact O-CB 3.34Å; A215-I220 VanDerWaalsContact O-CG1 3.28Å; A215-I220 WeakPolarHBondContact O-CG1 3.36Å; A215-I220 PolarHBondContact O-N 3Å; Q218-I220 PolarHBondContact O-N 3.35Å; I220-A223 WeakPolarHBondContact O-CB 3.2Å; I220-A223 PolarHBondContact O-N 2.91Å; I220-F224 HydrophobicContact CG2-CD2 3.98Å; I220-F224 HydrophobicContact CG2-CE2 3.69Å; I220-F224 WeakPolarHBondContact O-CD2 3.28Å; I220-F224 PolarHBondContact O-N 2.86Å; I220-L455 HydrophobicContact CD1-CD1 3.6Å; I220-L455 HydrophobicContact CD1-CG 4.37Å |
| 221 | P | 90.4 | Very high | 85.5 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 174.6 | -25.9 | 35.8 | 0 | 0 | 0 | 113.9 | L216 Q218 A223 F224 G225 F226 Y233 | L216-P221 VanDerWaalsContact O-CG 3.31Å; L216-P221 WeakPolarHBondContact O-CG 3.48Å; Q218-P221 WeakPolarHBondContact O-CD 3.18Å; P221-A223 VanDerWaalsContact C-N 3.33Å; P221-A223 PolarHBondContact O-N 3.21Å; P221-F224 CarbonylContact O-C 3.56Å; P221-F224 PolarHBondContact O-N 3Å; P221-F224 VanDerWaalsContact O-N 3.17Å; P221-G225 PolarHBondContact O-N 2.84Å; P221-F226 HydrophobicContact CB-CB 4.35Å; P221-F226 PolarHBondContact O-N 2.95Å; P221-Y233 HydrophobicContact CB-CD1 4.23Å; P221-Y233 HydrophobicContact CB-CD2 3.96Å; P221-Y233 HydrophobicContact CB-CE1 3.7Å; P221-Y233 HydrophobicContact CB-CE2 3.48Å; P221-Y233 VanDerWaalsContact CB-CE2 3.48Å; P221-Y233 HydrophobicContact CB-CG 4.35Å; P221-Y233 HydrophobicContact CG-CD2 3.76Å; P221-Y233 HydrophobicContact CG-CE1 4.49Å; P221-Y233 HydrophobicContact CG-CE2 3.37Å |
| 222 | E | 87.3 | Confident | 84.5 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 28% | 0.28 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 177.9 | -167.3 | 68.4 | -151.5 | 0 | 0 | 111.1 | Q218 F224 G225 N444 F447 | Q218-E222 WeakPolarHBondContact O-CB 3.4Å; Q218-E222 PolarHBondContact O-N 3.09Å; E222-F224 VanDerWaalsContact C-N 3.26Å; E222-F224 PolarHBondContact O-N 2.85Å; E222-G225 PolarHBondContact O-N 3.1Å; E222-N444 PolarHBondContact O-ND2 2.86Å; E222-F447 HydrophobicContact CB-CD2 3.89Å; E222-F447 HydrophobicContact CB-CE2 4.35Å; E222-F447 HydrophobicContact CG-CD2 3.41Å; E222-F447 VanDerWaalsContact CG-CD2 3.41Å; E222-F447 HydrophobicContact CG-CE2 3.44Å; E222-F447 VanDerWaalsContact CG-CE2 3.44Å; E222-F447 HydrophobicContact CG-CG 4.42Å; E222-F447 HydrophobicContact CG-CZ 4.45Å |
| 223 | A | 90.5 | Very high | 83.9 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 17% | 0.174 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.3 | -37.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | L219 I220 P221 N444 F447 A448 | L219-A223 VanDerWaalsContact O-CB 3.28Å; L219-A223 WeakPolarHBondContact O-CB 3.43Å; L219-A223 PolarHBondContact O-N 2.89Å; I220-A223 WeakPolarHBondContact O-CB 3.2Å; I220-A223 PolarHBondContact O-N 2.91Å; P221-A223 VanDerWaalsContact C-N 3.33Å; P221-A223 PolarHBondContact O-N 3.21Å; A223-N444 WeakPolarHBondContact CB-O 3.37Å; A223-N444 PolarHBondContact O-ND2 2.97Å; A223-F447 HydrophobicContact CB-CB 4.09Å; A223-A448 HydrophobicContact CB-CB 3.91Å |
| 224 | F | 88.1 | Confident | 83.5 | Confident | 153 Ų | 153 | 48.2 Ų | 48.2 | 67% | 0.671 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -84.6 | -9.6 | 173.7 | -68.4 | -62.8 | 0 | 0 | 0 | 114.2 | I220 P221 E222 F226 | I220-F224 HydrophobicContact CG2-CD2 3.98Å; I220-F224 HydrophobicContact CG2-CE2 3.69Å; I220-F224 WeakPolarHBondContact O-CD2 3.28Å; I220-F224 PolarHBondContact O-N 2.86Å; P221-F224 CarbonylContact O-C 3.56Å; P221-F224 PolarHBondContact O-N 3Å; P221-F224 VanDerWaalsContact O-N 3.17Å; E222-F224 VanDerWaalsContact C-N 3.26Å; E222-F224 PolarHBondContact O-N 2.85Å; F224-F226 HydrophobicContact CB-CD2 3.73Å; F224-F226 HydrophobicContact CB-CE2 3.5Å; F224-F226 HydrophobicContact CB-CG 4.48Å; F224-F226 HydrophobicContact CB-CZ 4.09Å; F224-F226 HydrophobicContact CD2-CE2 4.23Å; F224-F226 HydrophobicContact CG-CE2 4.09Å |
| 225 | G | 81.7 | Confident | 83.2 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 30.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P221 E222 | P221-G225 PolarHBondContact O-N 2.84Å; E222-G225 PolarHBondContact O-N 3.1Å |
| 226 | F | 81.4 | Confident | 82.9 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | trans | -84.4 | 136.2 | 175.4 | -62.7 | -52.8 | 0 | 0 | 0 | 112.1 | P221 F224 D231 Y233 | P221-F226 HydrophobicContact CB-CB 4.35Å; P221-F226 PolarHBondContact O-N 2.95Å; F224-F226 HydrophobicContact CB-CD2 3.73Å; F224-F226 HydrophobicContact CB-CE2 3.5Å; F224-F226 HydrophobicContact CB-CG 4.48Å; F224-F226 HydrophobicContact CB-CZ 4.09Å; F224-F226 HydrophobicContact CD2-CE2 4.23Å; F224-F226 HydrophobicContact CG-CE2 4.09Å; F226-D231 VanDerWaalsContact CA-OD2 3.31Å; F226-D231 WeakPolarHBondContact CA-OD2 3.26Å; F226-D231 HydrophobicContact CB-CB 4.47Å; F226-D231 WeakPolarHBondContact CB-OD2 3.49Å; F226-Y233 HydrophobicContact CB-CD1 3.64Å; F226-Y233 HydrophobicContact CB-CE1 3.82Å; F226-Y233 WeakPolarHBondContact O-CE1 3.21Å | ||
| 227 | D | 69.4 | Low | 82.8 | Confident | 73 Ų | 73 | 57.4 Ų | 57.4 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | trans | -93.5 | 124.7 | 178.2 | -174.7 | -41.8 | 0 | 0 | 0 | 110.4 | M229 V230 D231 | D227-M229 PolarHBondContact O-N 3.22Å; D227-M229 WeakPolarHBondContact OD1-CA 3.16Å; D227-M229 VanDerWaalsContact OD1-CB 3.31Å; D227-M229 WeakPolarHBondContact OD1-CB 3.49Å; D227-M229 PolarHBondContact OD1-N 3.04Å; D227-V230 HydrophobicContact CB-CB 4.11Å; D227-V230 HydrophobicContact CB-CG2 3.99Å; D227-V230 PolarHBondContact O-N 3.16Å; D227-V230 VanDerWaalsContact O-N 3.13Å; D227-D231 PolarHBondContact N-OD2 3.36Å; D227-D231 PolarHBondContact O-N 2.84Å | ||
| 228 | P | 65.4 | Low | 82.9 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.4 | -178.1 | 23.7 | -32.7 | 0 | 0 | 0 | 114 | Y233 V234 T503 | P228-Y233 VanDerWaalsContact CA-CE1 3.41Å; P228-Y233 HydrophobicContact CB-CE1 3.92Å; P228-Y233 VanDerWaalsContact N-CE1 3.33Å; P228-V234 HydrophobicContact CB-CG2 3.74Å; P228-T503 HydrophobicContact CB-CG2 4.33Å |
| 229 | M | 63.3 | Low | 83 | Confident | 104 Ų | 104 | 63.1 Ų | 63.1 | 51% | 0.512 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -19.3 | 179.2 | -58.6 | -65.3 | 154 | 0 | 0 | 113 | D227 | D227-M229 PolarHBondContact O-N 3.22Å; D227-M229 WeakPolarHBondContact OD1-CA 3.16Å; D227-M229 VanDerWaalsContact OD1-CB 3.31Å; D227-M229 WeakPolarHBondContact OD1-CB 3.49Å; D227-M229 PolarHBondContact OD1-N 3.04Å |
| 230 | V | 63.3 | Low | 83.1 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 58% | 0.576 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -51 | -174.1 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | D227 F232 | D227-V230 HydrophobicContact CB-CB 4.11Å; D227-V230 HydrophobicContact CB-CG2 3.99Å; D227-V230 PolarHBondContact O-N 3.16Å; D227-V230 VanDerWaalsContact O-N 3.13Å; V230-F232 VanDerWaalsContact C-N 3.26Å; V230-F232 VanDerWaalsContact O-CD2 3.28Å; V230-F232 WeakPolarHBondContact O-CD2 3.43Å; V230-F232 PolarHBondContact O-N 3.45Å |
| 231 | D | 70.7 | Confident | 83.2 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 34% | 0.337 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -82.7 | -0.9 | -167.5 | -67.5 | -57.8 | 0 | 0 | 0 | 114.4 | F226 D227 Y233 K236 | F226-D231 VanDerWaalsContact CA-OD2 3.31Å; F226-D231 WeakPolarHBondContact CA-OD2 3.26Å; F226-D231 HydrophobicContact CB-CB 4.47Å; F226-D231 WeakPolarHBondContact CB-OD2 3.49Å; D227-D231 PolarHBondContact N-OD2 3.36Å; D227-D231 PolarHBondContact O-N 2.84Å; D231-Y233 HydrophobicContact CB-CD1 4.18Å; D231-Y233 PolarHBondContact O-N 3.42Å; D231-K236 PolarHBondContact O-NZ 3.49Å |
| 232 | F | 75 | Confident | 83.4 | Confident | 143 Ų | 143 | 66 Ų | 66 | 63% | 0.627 | 37% | 0.369 | S | S | * | . | trans | 51.6 | 17.7 | -172.1 | -69.3 | -92.7 | 0 | 0 | 0 | 114.1 | V230 V234 S235 | V230-F232 VanDerWaalsContact C-N 3.26Å; V230-F232 VanDerWaalsContact O-CD2 3.28Å; V230-F232 WeakPolarHBondContact O-CD2 3.43Å; V230-F232 PolarHBondContact O-N 3.45Å; F232-V234 VanDerWaalsContact C-N 3.26Å; F232-V234 PolarHBondContact O-N 2.97Å; F232-S235 PolarHBondContact O-N 3.47Å; F232-S235 PolarHBondContact O-OG 2.89Å | ||
| 233 | Y | 84.5 | Confident | 83.8 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 7% | 0.067 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64 | -30.3 | -168.1 | 75.6 | -109.2 | 0 | 0 | 0 | 112.9 | F217 P221 F226 P228 D231 S235 K236 S237 | F217-Y233 WeakPolarHBondContact O-CE2 3.28Å; F217-Y233 PolarHBondContact O-OH 3.16Å; F217-Y233 VanDerWaalsContact O-OH 3.06Å; P221-Y233 HydrophobicContact CB-CD1 4.23Å; P221-Y233 HydrophobicContact CB-CD2 3.96Å; P221-Y233 HydrophobicContact CB-CE1 3.7Å; P221-Y233 HydrophobicContact CB-CE2 3.48Å; P221-Y233 VanDerWaalsContact CB-CE2 3.48Å; P221-Y233 HydrophobicContact CB-CG 4.35Å; P221-Y233 HydrophobicContact CG-CD2 3.76Å; P221-Y233 HydrophobicContact CG-CE1 4.49Å; P221-Y233 HydrophobicContact CG-CE2 3.37Å; F226-Y233 HydrophobicContact CB-CD1 3.64Å; F226-Y233 HydrophobicContact CB-CE1 3.82Å; F226-Y233 WeakPolarHBondContact O-CE1 3.21Å; P228-Y233 VanDerWaalsContact CA-CE1 3.41Å; P228-Y233 HydrophobicContact CB-CE1 3.92Å; P228-Y233 VanDerWaalsContact N-CE1 3.33Å; D231-Y233 HydrophobicContact CB-CD1 4.18Å; D231-Y233 PolarHBondContact O-N 3.42Å; Y233-S235 PolarHBondContact O-N 3.43Å; Y233-S235 VanDerWaalsContact O-N 3.12Å; Y233-K236 CarbonylContact O-C 3.08Å; Y233-K236 WeakPolarHBondContact O-CA 3.36Å; Y233-K236 WeakPolarHBondContact O-CB 3.03Å; Y233-K236 PolarHBondContact O-N 3.3Å; Y233-S237 PolarHBondContact O-N 3.49Å |
| 234 | V | 87.1 | Confident | 84 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 11% | 0.109 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -53 | -38.7 | 179.7 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | F217 P228 F232 K236 A238 L500 T503 | F217-V234 HydrophobicContact CD1-CG1 4.03Å; F217-V234 HydrophobicContact CE1-CG1 4Å; F217-V234 WeakPolarHBondContact CE1-O 3.4Å; P228-V234 HydrophobicContact CB-CG2 3.74Å; F232-V234 VanDerWaalsContact C-N 3.26Å; F232-V234 PolarHBondContact O-N 2.97Å; V234-K236 PolarHBondContact O-N 3.04Å; V234-A238 WeakPolarHBondContact O-CB 3.45Å; V234-A238 PolarHBondContact O-N 3.1Å; V234-L500 HydrophobicContact CG1-CD1 3.82Å; V234-T503 HydrophobicContact CG1-CG2 4.23Å; V234-T503 HydrophobicContact CG2-CG2 3.8Å |
| 235 | S | 88.2 | Confident | 84.3 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67 | -33.9 | 175.5 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | F232 Y233 V239 | F232-S235 PolarHBondContact O-N 3.47Å; F232-S235 PolarHBondContact O-OG 2.89Å; Y233-S235 PolarHBondContact O-N 3.43Å; Y233-S235 VanDerWaalsContact O-N 3.12Å; S235-V239 WeakPolarHBondContact O-CG2 3.49Å; S235-V239 PolarHBondContact O-N 3.25Å |
| 236 | K | 90.7 | Very high | 84.9 | Confident | 128 Ų | 128 | 63 Ų | 63 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -74.5 | -47 | 178.3 | -53.9 | 169.1 | -171.6 | 150.9 | 0 | 110 | D231 Y233 V234 A238 V239 V240 | D231-K236 PolarHBondContact O-NZ 3.49Å; Y233-K236 CarbonylContact O-C 3.08Å; Y233-K236 WeakPolarHBondContact O-CA 3.36Å; Y233-K236 WeakPolarHBondContact O-CB 3.03Å; Y233-K236 PolarHBondContact O-N 3.3Å; V234-K236 PolarHBondContact O-N 3.04Å; K236-A238 VanDerWaalsContact C-N 3.31Å; K236-A238 PolarHBondContact O-N 3.46Å; K236-V239 WeakPolarHBondContact O-CB 3.32Å; K236-V239 PolarHBondContact O-N 3.17Å; K236-V240 PolarHBondContact O-N 3.04Å |
| 237 | S | 92 | Very high | 85.5 | Confident | 17 Ų | 17 | 66.5 Ų | 66.5 | 12% | 0.119 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.5 | -38 | 174.1 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | L216 Y233 V239 V240 F241 | L216-S237 VanDerWaalsContact O-CB 3.29Å; L216-S237 WeakPolarHBondContact O-CB 3.23Å; L216-S237 PolarHBondContact O-OG 3.46Å; Y233-S237 PolarHBondContact O-N 3.49Å; S237-V239 VanDerWaalsContact C-N 3.29Å; S237-V239 PolarHBondContact O-N 2.86Å; S237-V240 WeakPolarHBondContact O-CB 3.39Å; S237-V240 PolarHBondContact O-N 3.24Å; S237-V240 VanDerWaalsContact O-N 3.16Å; S237-F241 PolarHBondContact O-N 2.97Å |
| 238 | A | 93.6 | Very high | 86.5 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 21% | 0.207 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -32.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | F217 V234 K236 G242 F496 | F217-A238 HydrophobicContact CE1-CB 4.1Å; F217-A238 HydrophobicContact CZ-CB 4.11Å; V234-A238 WeakPolarHBondContact O-CB 3.45Å; V234-A238 PolarHBondContact O-N 3.1Å; K236-A238 VanDerWaalsContact C-N 3.31Å; K236-A238 PolarHBondContact O-N 3.46Å; A238-G242 PolarHBondContact O-N 2.74Å; A238-F496 HydrophobicContact CB-CZ 4.16Å |
| 239 | V | 94.4 | Very high | 87.8 | Confident | 108 Ų | 108 | 65.6 Ų | 65.6 | 66% | 0.655 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -72.9 | -33.6 | 172.6 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | S235 K236 S237 G242 G243 | S235-V239 WeakPolarHBondContact O-CG2 3.49Å; S235-V239 PolarHBondContact O-N 3.25Å; K236-V239 WeakPolarHBondContact O-CB 3.32Å; K236-V239 PolarHBondContact O-N 3.17Å; S237-V239 VanDerWaalsContact C-N 3.29Å; S237-V239 PolarHBondContact O-N 2.86Å; V239-G242 PolarHBondContact O-N 3.26Å; V239-G243 PolarHBondContact O-N 3.02Å |
| 240 | V | 95.2 | Very high | 89.1 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 172.2 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | L216 K236 S237 G242 G243 F244 | L216-V240 HydrophobicContact CD1-CB 4.02Å; L216-V240 HydrophobicContact CD1-CG1 3.7Å; L216-V240 HydrophobicContact CD2-CG1 4.16Å; K236-V240 PolarHBondContact O-N 3.04Å; S237-V240 WeakPolarHBondContact O-CB 3.39Å; S237-V240 PolarHBondContact O-N 3.24Å; S237-V240 VanDerWaalsContact O-N 3.16Å; V240-G242 VanDerWaalsContact C-N 3.35Å; V240-G242 PolarHBondContact O-N 3.13Å; V240-G243 PolarHBondContact O-N 2.77Å; V240-F244 PolarHBondContact O-N 2.94Å |
| 241 | F | 94.4 | Very high | 90.3 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 171.3 | -170.7 | -76.3 | 0 | 0 | 0 | 112.1 | Y212 S237 G243 F244 Y245 F496 | Y212-F241 AromaticContact CD1-CD2 3.49Å; Y212-F241 HydrophobicContact CD1-CD2 3.49Å; Y212-F241 VanDerWaalsContact CD1-CD2 3.49Å; Y212-F241 AromaticContact CD1-CE2 3.91Å; Y212-F241 HydrophobicContact CD1-CE2 3.91Å; Y212-F241 HydrophobicContact CD1-CG 4.49Å; Y212-F241 HydrophobicContact CE1-CB 4.18Å; Y212-F241 AromaticContact CE1-CD2 3.65Å; Y212-F241 HydrophobicContact CE1-CD2 3.65Å; Y212-F241 HydrophobicContact CE1-CE2 4.37Å; Y212-F241 HydrophobicContact CE1-CG 4.23Å; S237-F241 PolarHBondContact O-N 2.97Å; F241-G243 PolarHBondContact O-N 3.17Å; F241-F244 PolarHBondContact O-N 2.93Å; F241-Y245 HydrophobicContact CE1-CD2 4.39Å; F241-Y245 HydrophobicContact CE1-CG 4.34Å; F241-Y245 WeakPolarHBondContact O-CB 3.1Å; F241-Y245 PolarHBondContact O-N 2.89Å; F241-F496 HydrophobicContact CB-CD2 3.95Å; F241-F496 HydrophobicContact CB-CE2 3.56Å; F241-F496 HydrophobicContact CB-CZ 4.46Å; F241-F496 AromaticContact CD1-CD2 3.52Å; F241-F496 HydrophobicContact CD1-CD2 3.52Å; F241-F496 AromaticContact CD1-CE2 3.71Å; F241-F496 HydrophobicContact CD1-CE2 3.71Å; F241-F496 AromaticContact CD1-CG 3.95Å; F241-F496 HydrophobicContact CD1-CG 3.95Å; F241-F496 HydrophobicContact CD1-CZ 4.32Å; F241-F496 HydrophobicContact CD2-CB 4.43Å; F241-F496 AromaticContact CD2-CD2 3.35Å; F241-F496 HydrophobicContact CD2-CD2 3.35Å; F241-F496 AromaticContact CD2-CE2 3.91Å; F241-F496 HydrophobicContact CD2-CE2 3.91Å; F241-F496 HydrophobicContact CD2-CG 4.2Å; F241-F496 HydrophobicContact CE1-CB 3.96Å; F241-F496 HydrophobicContact CE1-CD1 4.5Å; F241-F496 AromaticContact CE1-CD2 3.83Å; F241-F496 HydrophobicContact CE1-CD2 3.83Å; F241-F496 HydrophobicContact CE1-CE2 4.43Å; F241-F496 AromaticContact CE1-CG 3.84Å; F241-F496 HydrophobicContact CE1-CG 3.84Å; F241-F496 HydrophobicContact CE2-CB 3.87Å; F241-F496 AromaticContact CE2-CD2 3.69Å; F241-F496 HydrophobicContact CE2-CD2 3.69Å; F241-F496 HydrophobicContact CE2-CG 4.12Å; F241-F496 AromaticContact CG-CD2 3.3Å; F241-F496 HydrophobicContact CG-CD2 3.3Å; F241-F496 AromaticContact CG-CE2 3.44Å; F241-F496 HydrophobicContact CG-CE2 3.44Å; F241-F496 VanDerWaalsContact CG-CE2 3.44Å; F241-F496 HydrophobicContact CG-CG 4.17Å; F241-F496 HydrophobicContact CG-CZ 4.41Å; F241-F496 HydrophobicContact CZ-CB 3.63Å; F241-F496 AromaticContact CZ-CD2 3.93Å; F241-F496 HydrophobicContact CZ-CD2 3.93Å; F241-F496 AromaticContact CZ-CG 3.95Å; F241-F496 HydrophobicContact CZ-CG 3.95Å |
| 242 | G | 95.1 | Very high | 91 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.9 | -35.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A238 V239 V240 L246 | A238-G242 PolarHBondContact O-N 2.74Å; V239-G242 PolarHBondContact O-N 3.26Å; V240-G242 VanDerWaalsContact C-N 3.35Å; V240-G242 PolarHBondContact O-N 3.13Å; G242-L246 WeakPolarHBondContact O-CB 3.46Å; G242-L246 PolarHBondContact O-N 2.9Å |
| 243 | G | 95.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.3 | -53.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V239 V240 F241 Y245 L246 F247 | V239-G243 PolarHBondContact O-N 3.02Å; V240-G243 PolarHBondContact O-N 2.77Å; F241-G243 PolarHBondContact O-N 3.17Å; G243-Y245 PolarHBondContact O-N 3.06Å; G243-L246 PolarHBondContact O-N 3.19Å; G243-F247 WeakPolarHBondContact O-CD2 3.48Å; G243-F247 PolarHBondContact O-N 3.35Å; G243-F247 VanDerWaalsContact O-N 3.16Å |
| 244 | F | 94.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 17% | 0.171 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.1 | -51 | 175.2 | 162.2 | -107 | 0 | 0 | 0 | 111.8 | I208 Y212 V240 F241 L246 F247 F248 L459 F463 | I208-F244 HydrophobicContact CG2-CZ 4.45Å; Y212-F244 HydrophobicContact CE1-CB 4.48Å; Y212-F244 HydrophobicContact CE1-CD1 4.3Å; V240-F244 PolarHBondContact O-N 2.94Å; F241-F244 PolarHBondContact O-N 2.93Å; F244-L246 VanDerWaalsContact C-N 3.35Å; F244-L246 PolarHBondContact O-N 3.33Å; F244-F247 PolarHBondContact O-N 2.96Å; F244-F248 PolarHBondContact O-N 2.82Å; F244-L459 HydrophobicContact CD2-CD2 4.23Å; F244-L459 HydrophobicContact CE2-CD2 3.74Å; F244-L459 HydrophobicContact CZ-CD2 4.1Å; F244-F463 HydrophobicContact CE2-CD2 4.27Å; F244-F463 AromaticContact CE2-CE2 3.99Å; F244-F463 HydrophobicContact CE2-CE2 3.99Å; F244-F463 HydrophobicContact CE2-CZ 4.37Å; F244-F463 AromaticContact CZ-CD2 3.83Å; F244-F463 HydrophobicContact CZ-CD2 3.83Å; F244-F463 AromaticContact CZ-CE2 3.73Å; F244-F463 HydrophobicContact CZ-CE2 3.73Å |
| 245 | Y | 95 | Very high | 91.4 | Very high | 49 Ų | 49 | 64.3 Ų | 64.3 | 19% | 0.192 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 179.8 | 178.3 | -95.3 | 0 | 0 | 0 | 112.6 | F241 G243 F248 F249 N489 L493 | F241-Y245 HydrophobicContact CE1-CD2 4.39Å; F241-Y245 HydrophobicContact CE1-CG 4.34Å; F241-Y245 WeakPolarHBondContact O-CB 3.1Å; F241-Y245 PolarHBondContact O-N 2.89Å; G243-Y245 PolarHBondContact O-N 3.06Å; Y245-F248 HydrophobicContact CD2-CD1 4.24Å; Y245-F248 HydrophobicContact CE2-CD1 4.39Å; Y245-F248 PolarHBondContact O-N 2.99Å; Y245-F249 HydrophobicContact CE1-CB 4.43Å; Y245-F249 HydrophobicContact CE1-CD2 4.47Å; Y245-F249 WeakPolarHBondContact O-CB 3.48Å; Y245-F249 PolarHBondContact O-N 3.06Å; Y245-N489 WeakPolarHBondContact CE2-OD1 3.22Å; Y245-N489 PolarHBondContact OH-OD1 3.38Å; Y245-L493 HydrophobicContact CD2-CD2 4.12Å; Y245-L493 HydrophobicContact CE1-CD2 4.44Å; Y245-L493 HydrophobicContact CE2-CD1 4.32Å; Y245-L493 HydrophobicContact CE2-CD2 3.75Å; Y245-L493 HydrophobicContact CE2-CG 3.96Å |
| 246 | L | 94.9 | Very high | 90.9 | Very high | 103 Ų | 103 | 62.5 Ų | 62.5 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 176 | 177.6 | 63.3 | 0 | 0 | 0 | 112 | G242 G243 F244 T250 | G242-L246 WeakPolarHBondContact O-CB 3.46Å; G242-L246 PolarHBondContact O-N 2.9Å; G243-L246 PolarHBondContact O-N 3.19Å; F244-L246 VanDerWaalsContact C-N 3.35Å; F244-L246 PolarHBondContact O-N 3.33Å; L246-T250 VanDerWaalsContact O-CB 3.25Å; L246-T250 WeakPolarHBondContact O-CB 3.36Å; L246-T250 PolarHBondContact O-N 3.48Å; L246-T250 PolarHBondContact O-OG1 3.15Å |
| 247 | F | 93.2 | Very high | 90.5 | Very high | 163 Ų | 163 | 61.3 Ų | 61.3 | 72% | 0.715 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.5 | -47.8 | 176.3 | -86.8 | -80.4 | 0 | 0 | 0 | 111.6 | G243 F244 F249 T250 E251 | G243-F247 WeakPolarHBondContact O-CD2 3.48Å; G243-F247 PolarHBondContact O-N 3.35Å; G243-F247 VanDerWaalsContact O-N 3.16Å; F244-F247 PolarHBondContact O-N 2.96Å; F247-F249 PolarHBondContact O-N 2.68Å; F247-T250 PolarHBondContact O-N 3.38Å; F247-E251 WeakPolarHBondContact O-CB 3.4Å; F247-E251 PolarHBondContact O-N 3.16Å |
| 248 | F | 91.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 2% | 0.022 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -53.4 | -51.3 | 173.6 | 163.1 | -99.5 | 0 | 0 | 0 | 112.2 | F244 Y245 T250 E251 K252 F463 M466 Q488 L492 | F244-F248 PolarHBondContact O-N 2.82Å; Y245-F248 HydrophobicContact CD2-CD1 4.24Å; Y245-F248 HydrophobicContact CE2-CD1 4.39Å; Y245-F248 PolarHBondContact O-N 2.99Å; F248-T250 PolarHBondContact O-N 2.91Å; F248-E251 PolarHBondContact O-N 3.23Å; F248-K252 HydrophobicContact CD2-CG 4.22Å; F248-K252 HydrophobicContact CE2-CD 4.33Å; F248-K252 HydrophobicContact CE2-CG 3.99Å; F248-K252 HydrophobicContact CZ-CG 4.22Å; F248-K252 WeakPolarHBondContact O-CB 3.47Å; F248-K252 VanDerWaalsContact O-CG 3.22Å; F248-K252 WeakPolarHBondContact O-CG 3.4Å; F248-K252 PolarHBondContact O-N 3.26Å; F248-F463 AromaticContact CD2-CE2 3.58Å; F248-F463 HydrophobicContact CD2-CE2 3.58Å; F248-F463 AromaticContact CD2-CZ 3.79Å; F248-F463 HydrophobicContact CD2-CZ 3.79Å; F248-F463 HydrophobicContact CE2-CE2 4.08Å; F248-F463 HydrophobicContact CG-CE2 4.38Å; F248-M466 HydrophobicContact CE2-CE 3.84Å; F248-M466 HydrophobicContact CZ-CE 4.41Å; F248-Q488 HydrophobicContact CZ-CB 4.13Å; F248-L492 HydrophobicContact CD1-CD1 4.13Å; F248-L492 HydrophobicContact CE1-CD1 3.58Å; F248-L492 HydrophobicContact CE2-CD1 4.16Å; F248-L492 HydrophobicContact CZ-CD1 3.59Å |
| 249 | F | 91.7 | Very high | 88.7 | Confident | 82 Ų | 82 | 68.5 Ų | 68.5 | 36% | 0.36 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 180 | -176 | -90 | 0 | 0 | 0 | 111.5 | Y245 F247 K252 V253 F485 | Y245-F249 HydrophobicContact CE1-CB 4.43Å; Y245-F249 HydrophobicContact CE1-CD2 4.47Å; Y245-F249 WeakPolarHBondContact O-CB 3.48Å; Y245-F249 PolarHBondContact O-N 3.06Å; F247-F249 PolarHBondContact O-N 2.68Å; F249-K252 PolarHBondContact O-N 3.36Å; F249-V253 HydrophobicContact CD1-CG2 3.98Å; F249-V253 HydrophobicContact CE1-CG2 3.68Å; F249-V253 HydrophobicContact CE2-CG2 4.49Å; F249-V253 HydrophobicContact CZ-CG2 3.96Å; F249-V253 WeakPolarHBondContact O-CB 3.08Å; F249-V253 WeakPolarHBondContact O-CG2 3.37Å; F249-V253 PolarHBondContact O-N 3.1Å; F249-F485 AromaticContact CD2-CZ 3.79Å; F249-F485 HydrophobicContact CD2-CZ 3.79Å; F249-F485 HydrophobicContact CE2-CE1 4.32Å; F249-F485 AromaticContact CE2-CZ 3.78Å; F249-F485 HydrophobicContact CE2-CZ 3.78Å |
| 250 | T | 90.1 | Very high | 87.3 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 178.8 | -59 | 0 | 0 | 0 | 0 | 111.8 | L246 F247 F248 V253 L254 | L246-T250 VanDerWaalsContact O-CB 3.25Å; L246-T250 WeakPolarHBondContact O-CB 3.36Å; L246-T250 PolarHBondContact O-N 3.48Å; L246-T250 PolarHBondContact O-OG1 3.15Å; F247-T250 PolarHBondContact O-N 3.38Å; F248-T250 PolarHBondContact O-N 2.91Å; T250-V253 PolarHBondContact O-N 3.39Å; T250-L254 VanDerWaalsContact O-CB 3.3Å; T250-L254 WeakPolarHBondContact O-CB 3.22Å; T250-L254 PolarHBondContact O-N 3.37Å |
| 251 | E | 88.9 | Confident | 85.5 | Confident | 84 Ų | 84 | 74 Ų | 74 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 177.2 | -168.7 | -152.2 | 113.7 | 0 | 0 | 111.4 | F247 F248 L254 K255 | F247-E251 WeakPolarHBondContact O-CB 3.4Å; F247-E251 PolarHBondContact O-N 3.16Å; F248-E251 PolarHBondContact O-N 3.23Å; E251-L254 PolarHBondContact O-N 3.29Å; E251-K255 WeakPolarHBondContact O-CG 3.19Å; E251-K255 PolarHBondContact O-N 3.14Å; E251-K255 VanDerWaalsContact OE1-CE 3.28Å; E251-K255 WeakPolarHBondContact OE1-CE 3.4Å; E251-K255 IonicContact OE1-NZ 2.72Å; E251-K255 PolarHBondContact OE1-NZ 2.88Å |
| 252 | K | 85.2 | Confident | 83.6 | Confident | 5 Ų | 5 | 81.4 Ų | 81.4 | 2% | 0.022 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 178.2 | -67.6 | -81.7 | 174.2 | 156.5 | 0 | 112 | F248 F249 K255 V256 N467 F485 | F248-K252 HydrophobicContact CD2-CG 4.22Å; F248-K252 HydrophobicContact CE2-CD 4.33Å; F248-K252 HydrophobicContact CE2-CG 3.99Å; F248-K252 HydrophobicContact CZ-CG 4.22Å; F248-K252 WeakPolarHBondContact O-CB 3.47Å; F248-K252 VanDerWaalsContact O-CG 3.22Å; F248-K252 WeakPolarHBondContact O-CG 3.4Å; F248-K252 PolarHBondContact O-N 3.26Å; F249-K252 PolarHBondContact O-N 3.36Å; K252-K255 WeakPolarHBondContact O-CB 3.25Å; K252-K255 PolarHBondContact O-N 3.31Å; K252-V256 WeakPolarHBondContact O-CG2 3.21Å; K252-V256 PolarHBondContact O-N 3Å; K252-N467 VanDerWaalsContact CE-OD1 3.23Å; K252-N467 WeakPolarHBondContact CE-OD1 3.43Å; K252-N467 PolarHBondContact NZ-OD1 3.33Å; K252-F485 HydrophobicContact CB-CD2 3.71Å; K252-F485 HydrophobicContact CB-CE2 3.34Å; K252-F485 HydrophobicContact CB-CZ 4.3Å; K252-F485 HydrophobicContact CD-CD2 4.22Å; K252-F485 HydrophobicContact CG-CD2 4.06Å; K252-F485 HydrophobicContact CG-CE2 3.91Å |
| 253 | V | 86.5 | Confident | 81.5 | Confident | 49 Ų | 49 | 83 Ų | 83 | 30% | 0.297 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 175.7 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | F249 T250 K255 V256 L257 F485 | F249-V253 HydrophobicContact CD1-CG2 3.98Å; F249-V253 HydrophobicContact CE1-CG2 3.68Å; F249-V253 HydrophobicContact CE2-CG2 4.49Å; F249-V253 HydrophobicContact CZ-CG2 3.96Å; F249-V253 WeakPolarHBondContact O-CB 3.08Å; F249-V253 WeakPolarHBondContact O-CG2 3.37Å; F249-V253 PolarHBondContact O-N 3.1Å; T250-V253 PolarHBondContact O-N 3.39Å; V253-K255 PolarHBondContact O-N 3.09Å; V253-V256 WeakPolarHBondContact O-CB 3.38Å; V253-V256 PolarHBondContact O-N 2.87Å; V253-L257 HydrophobicContact CG1-CD1 3.95Å; V253-L257 HydrophobicContact CG1-CG 4.43Å; V253-L257 WeakPolarHBondContact O-CG 3.5Å; V253-L257 PolarHBondContact O-N 3.24Å; V253-F485 HydrophobicContact CG2-CZ 4.45Å |
| 254 | L | 86.5 | Confident | 78.8 | Confident | 98 Ų | 98 | 85.6 Ų | 85.6 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.3 | -178.4 | 60.1 | 0 | 0 | 0 | 111.4 | T250 E251 V256 L257 L258 | T250-L254 VanDerWaalsContact O-CB 3.3Å; T250-L254 WeakPolarHBondContact O-CB 3.22Å; T250-L254 PolarHBondContact O-N 3.37Å; E251-L254 PolarHBondContact O-N 3.29Å; L254-V256 PolarHBondContact O-N 2.68Å; L254-L257 PolarHBondContact O-N 2.99Å; L254-L258 HydrophobicContact CD1-CD1 3.99Å; L254-L258 HydrophobicContact CD1-CG 4.12Å; L254-L258 HydrophobicContact CG-CD1 3.94Å; L254-L258 HydrophobicContact CG-CG 4.48Å; L254-L258 WeakPolarHBondContact O-CB 3.4Å; L254-L258 VanDerWaalsContact O-CG 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.26Å; L254-L258 PolarHBondContact O-N 3.41Å |
| 255 | K | 81.8 | Confident | 76.2 | Confident | 104 Ų | 104 | 91.8 Ų | 91.8 | 45% | 0.452 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 172.7 | -76.5 | 171.2 | 172.6 | 175.4 | 0 | 112 | E251 K252 V253 K259 | E251-K255 WeakPolarHBondContact O-CG 3.19Å; E251-K255 PolarHBondContact O-N 3.14Å; E251-K255 VanDerWaalsContact OE1-CE 3.28Å; E251-K255 WeakPolarHBondContact OE1-CE 3.4Å; E251-K255 IonicContact OE1-NZ 2.72Å; E251-K255 PolarHBondContact OE1-NZ 2.88Å; K252-K255 WeakPolarHBondContact O-CB 3.25Å; K252-K255 PolarHBondContact O-N 3.31Å; V253-K255 PolarHBondContact O-N 3.09Å; K255-K259 VanDerWaalsContact O-CB 3.25Å; K255-K259 WeakPolarHBondContact O-CB 3.42Å; K255-K259 PolarHBondContact O-N 2.68Å |
| 256 | V | 78 | Confident | 73.2 | Confident | 35 Ų | 35 | 94.3 Ų | 94.3 | 21% | 0.212 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -57.3 | -54.1 | 173.4 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | K252 V253 L254 L258 K259 Q260 F481 | K252-V256 WeakPolarHBondContact O-CG2 3.21Å; K252-V256 PolarHBondContact O-N 3Å; V253-V256 WeakPolarHBondContact O-CB 3.38Å; V253-V256 PolarHBondContact O-N 2.87Å; L254-V256 PolarHBondContact O-N 2.68Å; V256-L258 VanDerWaalsContact C-N 3.32Å; V256-L258 PolarHBondContact O-N 2.99Å; V256-K259 PolarHBondContact O-N 3.13Å; V256-Q260 WeakPolarHBondContact O-CB 3.48Å; V256-Q260 PolarHBondContact O-N 3.01Å; V256-F481 HydrophobicContact CG2-CD1 3.64Å; V256-F481 HydrophobicContact CG2-CE1 3.11Å; V256-F481 HydrophobicContact CG2-CE2 4.48Å; V256-F481 HydrophobicContact CG2-CZ 3.62Å |
| 257 | L | 81.9 | Confident | 70.7 | Confident | 102 Ų | 102 | 98.6 Ų | 98.6 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | -172.9 | -68.4 | 170.6 | 0 | 0 | 0 | 112.3 | V253 L254 K261 | V253-L257 HydrophobicContact CG1-CD1 3.95Å; V253-L257 HydrophobicContact CG1-CG 4.43Å; V253-L257 WeakPolarHBondContact O-CG 3.5Å; V253-L257 PolarHBondContact O-N 3.24Å; L254-L257 PolarHBondContact O-N 2.99Å; L257-K261 PolarHBondContact O-N 3.13Å |
| 258 | L | 80.6 | Confident | 68 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.5 | -44.9 | 175.6 | -66.6 | 172.7 | 0 | 0 | 0 | 112 | L254 V256 Q260 K261 Q262 | L254-L258 HydrophobicContact CD1-CD1 3.99Å; L254-L258 HydrophobicContact CD1-CG 4.12Å; L254-L258 HydrophobicContact CG-CD1 3.94Å; L254-L258 HydrophobicContact CG-CG 4.48Å; L254-L258 WeakPolarHBondContact O-CB 3.4Å; L254-L258 VanDerWaalsContact O-CG 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.26Å; L254-L258 PolarHBondContact O-N 3.41Å; V256-L258 VanDerWaalsContact C-N 3.32Å; V256-L258 PolarHBondContact O-N 2.99Å; L258-Q260 VanDerWaalsContact C-N 3.33Å; L258-Q260 PolarHBondContact O-N 3.43Å; L258-K261 PolarHBondContact O-N 2.97Å; L258-K261 VanDerWaalsContact O-N 3.15Å; L258-Q262 PolarHBondContact O-N 3.41Å |
| 259 | K | 69.3 | Low | 65.7 | Low | 92 Ų | 92 | 104.9 Ų | 104.9 | 40% | 0.4 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -38.6 | 178.7 | -159.9 | 159.9 | -178.9 | 165 | 0 | 110.9 | K255 V256 Q262 G263 E474 | K255-K259 VanDerWaalsContact O-CB 3.25Å; K255-K259 WeakPolarHBondContact O-CB 3.42Å; K255-K259 PolarHBondContact O-N 2.68Å; V256-K259 PolarHBondContact O-N 3.13Å; K259-Q262 PolarHBondContact O-N 3.37Å; K259-G263 PolarHBondContact O-N 3.02Å; K259-E474 IonicContact NZ-OE2 2.7Å; K259-E474 PolarHBondContact NZ-OE2 3.18Å |
| 260 | Q | 63.4 | Low | 62.7 | Low | 137 Ų | 137 | 112 Ų | 112 | 64% | 0.64 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.1 | -37 | 173.4 | -171.8 | 176.5 | 1.1 | 0 | 0 | 113 | V256 L258 Q262 G263 | V256-Q260 WeakPolarHBondContact O-CB 3.48Å; V256-Q260 PolarHBondContact O-N 3.01Å; L258-Q260 VanDerWaalsContact C-N 3.33Å; L258-Q260 PolarHBondContact O-N 3.43Å; Q260-Q262 PolarHBondContact O-N 2.87Å; Q260-G263 PolarHBondContact O-N 3.31Å |
| 261 | K | 57.9 | Low | 60.1 | Low | 162 Ų | 162 | 114 Ų | 114 | 70% | 0.704 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.8 | -34.7 | 179.7 | -169.8 | 178 | 179.8 | -176.3 | 0 | 112.8 | L257 L258 | L257-K261 PolarHBondContact O-N 3.13Å; L258-K261 PolarHBondContact O-N 2.97Å; L258-K261 VanDerWaalsContact O-N 3.15Å |
| 262 | Q | 55.2 | Low | 57.3 | Low | 161 Ų | 161 | 113.4 Ų | 113.4 | 75% | 0.752 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.6 | -34.3 | 175.4 | -72.2 | 178.6 | -26.6 | 0 | 0 | 112.5 | L258 K259 Q260 S264 | L258-Q262 PolarHBondContact O-N 3.41Å; K259-Q262 PolarHBondContact O-N 3.37Å; Q260-Q262 PolarHBondContact O-N 2.87Å; Q262-S264 PolarHBondContact O-N 3.36Å |
| 263 | G | 50.5 | Low | 54.9 | Low | 68 Ų | 68 | 117.3 Ų | 117.3 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -11.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | K259 Q260 | K259-G263 PolarHBondContact O-N 3.02Å; Q260-G263 PolarHBondContact O-N 3.31Å |
| 264 | S | 40.2 | Very low | 52.4 | Low | 85 Ų | 85 | 122.6 Ų | 122.6 | 59% | 0.594 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -5.2 | -171.5 | -166.9 | 0 | 0 | 0 | 0 | 115.6 | Q262 | Q262-S264 PolarHBondContact O-N 3.36Š|
| 265 | H | 39.4 | Very low | 49.8 | Very low | 169 Ų | 169 | 125.5 Ų | 125.5 | 78% | 0.782 | 68% | 0.682 | S | S | * | * | trans | -140.6 | 59.9 | -170.9 | -68.4 | -56.9 | 0 | 0 | 0 | 113.6 | ||||
| 266 | S | 31.3 | Very low | 47.3 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | trans | -129 | 65.3 | 171.3 | -157.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 267 | H | 42.9 | Very low | 45 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 89% | 0.894 | 73% | 0.729 | S | S | * | * | trans | -135.9 | 74 | 170.1 | -74.3 | -38.6 | 0 | 0 | 0 | 110.3 | ||||
| 268 | S | 35.6 | Very low | 42.5 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -122.4 | 105.1 | 168.4 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | Y270 | S268-Y270 PolarHBondContact O-N 2.87Š| ||
| 269 | H | 42 | Very low | 40.6 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -68.7 | 128.6 | 171.5 | -69.8 | -101.5 | 0 | 0 | 0 | 109.9 | ||||
| 270 | Y | 30.2 | Very low | 38.8 | Very low | 231 Ų | 231 | 135.9 Ų | 135.9 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | trans | -143.4 | 157.2 | 145.9 | -143.7 | -97.7 | 0 | 0 | 0 | 110.2 | S268 | S268-Y270 PolarHBondContact O-N 2.87Š| ||
| 271 | S | 34.2 | Very low | 37.2 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -146.6 | 148.1 | -173.2 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 272 | G | 31.3 | Very low | 35.9 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | 122.2 | 134.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 273 | A | 35.3 | Very low | 34.7 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | -75.3 | 162.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 274 | D | 32.1 | Very low | 33.8 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | -175.2 | -174.5 | 92.7 | -105.3 | -45.1 | 0 | 0 | 0 | 113.8 | |||||
| 275 | H | 32.8 | Very low | 33.3 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 150.9 | -162.2 | -109.1 | -114 | 0 | 0 | 0 | 117.6 | ||||
| 276 | Y | 29.9 | Very low | 32.7 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | 51.2 | 120.9 | 144.9 | -100.8 | -116.3 | 0 | 0 | 0 | 120.9 | ||||
| 277 | S | 29.1 | Very low | 32.7 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | 173.6 | 150.7 | 107.6 | -73.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 278 | A | 29.7 | Very low | 32 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -124.9 | 161.5 | 161 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 279 | P | 41 | Very low | 31.6 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -152 | 175 | 73.2 | 41 | -21.5 | 0 | 0 | 0 | 117.9 | |||||
| 280 | D | 30.2 | Very low | 31 | Very low | 119 Ų | 119 | 145 Ų | 145 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | 65.4 | 125.2 | 148 | -89.4 | -48.9 | 0 | 0 | 0 | 123.5 | ||||
| 281 | R | 30.5 | Very low | 30.9 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | 72.5 | 147.1 | 138.1 | -72 | 165.2 | -151.5 | -126.5 | -0.9 | 119.8 | ||||
| 282 | D | 29.9 | Very low | 30.7 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | cis | -130.5 | 144.1 | 1.6 | -77.9 | -56.8 | 0 | 0 | 0 | 108.3 | ||||
| 283 | A | 30.3 | Very low | 30.5 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | 84.5 | 101.1 | 63.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 284 | E | 31.3 | Very low | 30.2 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | 160.8 | 98.1 | 158.5 | -97.4 | -175.9 | 175.3 | 0 | 0 | 105.7 | ||||
| 285 | E | 29.9 | Very low | 30.1 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | 89.2 | 136.7 | 57.2 | -164.9 | 160.7 | -103.6 | 0 | 0 | 113.5 | |||||
| 286 | G | 27.6 | Very low | 29.8 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 158.8 | 94.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 287 | E | 30.3 | Very low | 29.5 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 150.4 | -153.6 | -63.1 | 171.2 | 95.3 | 0 | 0 | 116.1 | ||||
| 288 | K | 29.3 | Very low | 29.3 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -89.1 | 148.6 | 151 | -71 | -177.7 | 174.6 | -173.9 | 0 | 108.8 | ||||
| 289 | L | 26.6 | Very low | 29.1 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -127.5 | 113.4 | 150.4 | -139.9 | 76.2 | 0 | 0 | 0 | 110.1 | ||||
| 290 | Q | 29.3 | Very low | 28.3 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 77% | 0.771 | 82% | 0.817 | S | S | * | * | trans | -122.3 | 110.2 | 175.4 | -173.7 | 171.5 | 4.2 | 0 | 0 | 106.3 | N292 | Q290-N292 PolarHBondContact O-N 3.13Š| ||
| 291 | Q | 27.6 | Very low | 28 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -93.2 | 90.3 | -157 | -167.7 | 170 | 42.3 | 0 | 0 | 112.6 | ||||
| 292 | N | 29.8 | Very low | 27.6 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | trans | -71.6 | 138.2 | 156.1 | -90.1 | 11.7 | 0 | 0 | 0 | 109.3 | Q290 | Q290-N292 PolarHBondContact O-N 3.13Š| ||
| 293 | G | 28.6 | Very low | 27.2 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -122.6 | 100.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 294 | E | 29 | Very low | 27 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -128.7 | 123.1 | 164.2 | -74.6 | -165.8 | 105.8 | 0 | 0 | 110.4 | ||||
| 295 | A | 28.3 | Very low | 26.6 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -156.2 | 134 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 296 | G | 27.3 | Very low | 26.3 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | cis | -161.8 | 164.1 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 297 | G | 23.5 | Very low | 26.2 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -96.8 | 178.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 298 | L | 24.2 | Very low | 26 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | trans | -157.7 | 167.5 | 158.5 | -139.3 | 79.5 | 0 | 0 | 0 | 110.9 | ||||
| 299 | A | 25.8 | Very low | 25.9 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | 73.5 | 49.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 300 | Q | 24.2 | Very low | 25.9 | Very low | 200 Ų | 200 | 136.6 Ų | 136.6 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | 22.6 | 123.6 | 118.3 | -178.8 | 179.5 | -1.6 | 0 | 0 | 119.4 | |||||
| 301 | G | 23.7 | Very low | 25.7 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -178.7 | 93.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 302 | K | 22.6 | Very low | 25.5 | Very low | 200 Ų | 200 | 136.1 Ų | 136.1 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | 43.7 | 120.5 | 156.7 | -79.4 | -167.8 | 163.5 | -167.8 | 0 | 120.3 | ||||
| 303 | V | 23 | Very low | 25.2 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 68% | 0.679 | 83% | 0.827 | S | S | * | * | 103.7 | 149.4 | 54.4 | 153.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 304 | D | 24.3 | Very low | 24.9 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | trans | 73.9 | 141.4 | -178.5 | -49.2 | -33.1 | 0 | 0 | 0 | 116.2 | ||||
| 305 | E | 24.1 | Very low | 25.2 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | cis | -161.5 | 161 | -31.4 | -146.9 | -171.6 | 131.4 | 0 | 0 | 110.6 | ||||
| 306 | A | 24.3 | Very low | 25 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | 68.8 | 139.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 307 | S | 24.4 | Very low | 24.9 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | 86.2 | 90.3 | 143.7 | -149.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 308 | E | 26.1 | Very low | 24.9 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | 30.6 | 132.4 | 122.4 | -55.7 | -174.8 | 131.9 | 0 | 0 | 121.8 | |||||
| 309 | G | 26.5 | Very low | 25.3 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 174.6 | 101.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 310 | E | 26.9 | Very low | 25.3 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -72.1 | 138.2 | 167 | -69 | 178.7 | 74.3 | 0 | 0 | 111.5 | ||||
| 311 | L | 25.6 | Very low | 25.2 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | -165.6 | 149.1 | 120.2 | -137.3 | 68 | 0 | 0 | 0 | 112.6 | |||||
| 312 | M | 22.7 | Very low | 25.2 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -99.7 | 171.8 | 164.2 | -63.9 | -169.1 | 80 | 0 | 0 | 111.2 | ||||
| 313 | L | 23.7 | Very low | 25.4 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | 99.4 | 132 | 160.5 | -55.6 | 169.1 | 0 | 0 | 0 | 118.1 | ||||
| 314 | S | 23 | Very low | 25.5 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -85.7 | -171.6 | 167.8 | -22.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 315 | P | 35 | Very low | 26.2 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | cis | -133.1 | 147 | -16.9 | 31.4 | -13 | 0 | 0 | 0 | 114.8 | ||||
| 316 | G | 23.9 | Very low | 26.4 | Very low | 74 Ų | 74 | 145.5 Ų | 145.5 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | 73.4 | 116.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 317 | Q | 25.6 | Very low | 26.6 | Very low | 204 Ų | 204 | 146 Ų | 146 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | trans | -157.2 | 144.4 | 145 | -114.9 | 161.6 | -4.4 | 0 | 0 | 111.5 | ||||
| 318 | A | 22.7 | Very low | 26.9 | Very low | 92 Ų | 92 | 146 Ų | 146 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -129.2 | 170.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 319 | P | 34.3 | Very low | 27 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | cis | -127.7 | 177.1 | -0.7 | 42.1 | -28.7 | 0 | 0 | 0 | 113.5 | ||||
| 320 | Q | 24.5 | Very low | 27.2 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | trans | -162.2 | 166.6 | 139.2 | -113.8 | 164.7 | 20.4 | 0 | 0 | 112.4 | ||||
| 321 | E | 22.6 | Very low | 27.3 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | -130.7 | 161.7 | -165 | -146.3 | -177.3 | 141.3 | 0 | 0 | 111 | ||||
| 322 | S | 23.6 | Very low | 27.5 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | 69.4 | 152.8 | -177.8 | 80.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 323 | E | 27.4 | Very low | 27.8 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | cis | -129.2 | 172.4 | 11.6 | -68.1 | -178.3 | 102.7 | 0 | 0 | 114 | ||||
| 324 | R | 25.1 | Very low | 28.3 | Very low | 238 Ų | 238 | 135.9 Ų | 135.9 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | -129.1 | 160.6 | 162.7 | -90.1 | -169.6 | -177.9 | -169.7 | 2.5 | 106.7 | ||||
| 325 | P | 39.3 | Very low | 28.6 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | cis | -140.2 | -149.6 | 33.6 | 42.4 | -20 | 0 | 0 | 0 | 111.5 | ||||
| 326 | D | 27.3 | Very low | 29 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 83% | 0.831 | S | S | * | * | cis | -165.2 | 168 | -9.6 | -137.1 | 36.7 | 0 | 0 | 0 | 106.7 | ||||
| 327 | S | 28.2 | Very low | 29.5 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 83% | 0.83 | S | S | * | * | cis | -159.9 | 162.8 | -32.1 | 44.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 328 | A | 30.2 | Very low | 30.1 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | trans | -152.9 | 147.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 329 | A | 29.1 | Very low | 30.9 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 88% | 0.884 | 83% | 0.827 | S | S | * | * | trans | -131.8 | 142 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 330 | A | 30.4 | Very low | 31.2 | Very low | 101 Ų | 101 | 132 Ų | 132 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -141.7 | 120 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 331 | A | 29.4 | Very low | 32.4 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -20 | 121.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 332 | R | 30 | Very low | 33.5 | Very low | 250 Ų | 250 | 129.2 Ų | 129.2 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | 86.4 | 95.1 | 79.9 | -81.7 | -177.5 | 166.6 | -171.6 | -2.2 | 115.5 | |||||
| 333 | S | 29.1 | Very low | 34.8 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -158.4 | 141.6 | 139.9 | -174.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 334 | G | 33.8 | Very low | 35.5 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | 135.7 | -17.2 | 7.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 335 | G | 29 | Very low | 36.4 | Very low | 72 Ų | 72 | 120.2 Ų | 120.2 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | -89.6 | 121.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G337 | G335-G337 PolarHBondContact O-N 3.24Å; G335-G337 VanDerWaalsContact O-N 3.16Å | ||
| 336 | R | 42.6 | Very low | 36.6 | Very low | 257 Ų | 257 | 119.7 Ų | 119.7 | 97% | 0.97 | 75% | 0.753 | S | S | * | * | trans | -79.8 | 83.2 | 163.7 | -76.9 | 165.1 | 63.4 | 175.8 | -0.3 | 109.3 | ||||
| 337 | G | 35.6 | Very low | 37.3 | Very low | 70 Ų | 70 | 118 Ų | 118 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | -102.8 | 121.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G335 G339 | G335-G337 PolarHBondContact O-N 3.24Å; G335-G337 VanDerWaalsContact O-N 3.16Å; G337-G339 PolarHBondContact O-N 3.46Å | ||
| 338 | G | 37.6 | Very low | 38.4 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 95% | 0.948 | 74% | 0.737 | S | S | * | * | trans | -76.9 | 65 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 339 | G | 40.9 | Very low | 39.3 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | -68.2 | 132.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G337 Y341 | G337-G339 PolarHBondContact O-N 3.46Å; G339-Y341 PolarHBondContact O-N 3.09Å | ||
| 340 | C | 40.3 | Very low | 40.4 | Very low | 76 Ų | 76 | 120.4 Ų | 120.4 | 51% | 0.514 | 73% | 0.725 | S | S | . | * | trans | -66.8 | 125.1 | -178.7 | -143.8 | 0 | 0 | 0 | 0 | 110.4 | W342 L343 | C340-W342 PolarHBondContact O-N 3.15Å; C340-W342 VanDerWaalsContact O-N 3.08Å; C340-W342 VanDerWaalsContact SG-CD1 3.59Å; C340-L343 HydrophobicContact CB-CD1 4.39Å; C340-L343 PolarHBondContact O-N 3.13Å; C340-L343 VanDerWaalsContact O-N 3.11Å | ||
| 341 | Y | 49.8 | Very low | 41.6 | Very low | 186 Ų | 186 | 116.5 Ų | 116.5 | 73% | 0.729 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -64.3 | -18.3 | -172 | 53.9 | -94.6 | 0 | 0 | 0 | 114.2 | G339 L343 | G339-Y341 PolarHBondContact O-N 3.09Å; Y341-L343 VanDerWaalsContact C-N 3.26Å; Y341-L343 PolarHBondContact O-N 2.93Å |
| 342 | W | 44.1 | Very low | 43 | Very low | 138 Ų | 138 | 113.6 Ų | 113.6 | 52% | 0.523 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -64.1 | -23.8 | 174.2 | -56.8 | 83.1 | 0 | 0 | 0 | 114 | C340 K344 Q414 | C340-W342 PolarHBondContact O-N 3.15Å; C340-W342 VanDerWaalsContact O-N 3.08Å; C340-W342 VanDerWaalsContact SG-CD1 3.59Å; W342-K344 PolarHBondContact O-N 3.14Å; W342-Q414 HydrophobicContact CE3-CB 4.45Å; W342-Q414 HydrophobicContact CE3-CG 4.25Å; W342-Q414 HydrophobicContact CZ3-CG 4.18Å |
| 343 | L | 50.9 | Low | 45.1 | Very low | 107 Ų | 107 | 107.6 Ų | 107.6 | 56% | 0.56 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -79.9 | 9 | -176.9 | -76.5 | 162.7 | 0 | 0 | 0 | 114.2 | C340 Y341 G345 | C340-L343 HydrophobicContact CB-CD1 4.39Å; C340-L343 PolarHBondContact O-N 3.13Å; C340-L343 VanDerWaalsContact O-N 3.11Å; Y341-L343 VanDerWaalsContact C-N 3.26Å; Y341-L343 PolarHBondContact O-N 2.93Å; L343-G345 VanDerWaalsContact C-N 3.28Å; L343-G345 PolarHBondContact O-N 3.1Å; L343-G345 VanDerWaalsContact O-N 3.14Å |
| 344 | K | 42.8 | Very low | 47 | Very low | 198 Ų | 198 | 106.3 Ų | 106.3 | 86% | 0.861 | 64% | 0.643 | S | S | * | * | trans | -91.8 | 50.5 | -173.3 | -155.4 | 164.4 | -174.9 | 173.8 | 0 | 113.6 | W342 | W342-K344 PolarHBondContact O-N 3.14Š| ||
| 345 | G | 44.8 | Very low | 48.8 | Very low | 44 Ų | 44 | 102.9 Ų | 102.9 | 45% | 0.454 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -90.4 | -171.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L343 | L343-G345 VanDerWaalsContact C-N 3.28Å; L343-G345 PolarHBondContact O-N 3.1Å; L343-G345 VanDerWaalsContact O-N 3.14Å |
| 346 | T | 42.8 | Very low | 51.2 | Low | 102 Ų | 102 | 105.4 Ų | 105.4 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -56.8 | 156.9 | 176.3 | 32.4 | 0 | 0 | 0 | 0 | 113.5 | Y348 | T346-Y348 PolarHBondContact O-N 2.9Š|
| 347 | T | 41.7 | Very low | 52.9 | Low | 107 Ų | 107 | 98.9 Ų | 98.9 | 66% | 0.656 | 58% | 0.576 | S | S | * | * | trans | -57.1 | 129.3 | -176.9 | 30.3 | 0 | 0 | 0 | 0 | 112.7 | S349 | T347-S349 PolarHBondContact O-N 3.29Š| ||
| 348 | Y | 50.9 | Low | 55.1 | Low | 111 Ų | 111 | 96.6 Ų | 96.6 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -8.2 | -172.3 | -116 | -73.2 | 0 | 0 | 0 | 116.5 | T346 W356 F419 | T346-Y348 PolarHBondContact O-N 2.9Å; Y348-W356 HydrophobicContact CD1-CZ2 4.45Å; Y348-W356 AromaticContact CE1-CZ2 3.68Å; Y348-W356 HydrophobicContact CE1-CZ2 3.68Å; Y348-F419 HydrophobicContact CE1-CZ 4.33Å; Y348-F419 WeakPolarHBondContact OH-CZ 3.42Å |
| 349 | S | 50.7 | Low | 57.2 | Low | 110 Ų | 110 | 93 Ų | 93 | 77% | 0.769 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -28.7 | -175.1 | -59.8 | 0 | 0 | 0 | 0 | 114.3 | T347 | T347-S349 PolarHBondContact O-N 3.29Š|
| 350 | D | 50.4 | Low | 59.4 | Low | 140 Ų | 140 | 95.9 Ų | 95.9 | 75% | 0.749 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -106 | -2.6 | -176.1 | -55.3 | -59.8 | 0 | 0 | 0 | 113 | G352 | D350-G352 PolarHBondContact O-N 2.99Š|
| 351 | I | 55.7 | Low | 61.7 | Low | 18 Ų | 18 | 95.8 Ų | 95.8 | 9% | 0.092 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -76.6 | 85.4 | 168.4 | -61.4 | 172.4 | 0 | 0 | 0 | 106 | M411 | I351-M411 HydrophobicContact CG2-CG 3.91Å; I351-M411 HydrophobicContact CG2-SD 4.11Å |
| 352 | G | 58.8 | Low | 63.5 | Low | 34 Ų | 34 | 87 Ų | 87 | 35% | 0.351 | 47% | 0.471 | S | S | . | . | trans | -65.6 | 164.7 | -150.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | D350 L354 A355 | D350-G352 PolarHBondContact O-N 2.99Å; G352-L354 PolarHBondContact O-N 3.34Å; G352-A355 PolarHBondContact O-N 3.31Å | ||
| 353 | T | 75.3 | Confident | 65.8 | Low | 124 Ų | 124 | 81.1 Ų | 81.1 | 76% | 0.761 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -43.5 | -32.8 | 179.4 | -45 | 0 | 0 | 0 | 0 | 114.2 | A355 W356 M357 | T353-A355 PolarHBondContact O-N 3.07Å; T353-W356 PolarHBondContact O-N 3Å; T353-M357 WeakPolarHBondContact O-CB 3.47Å; T353-M357 PolarHBondContact O-N 3.12Å |
| 354 | L | 67.7 | Low | 67.8 | Low | 99 Ų | 99 | 81.1 Ų | 81.1 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 176.4 | -177.3 | 62.6 | 0 | 0 | 0 | 113.1 | G352 W356 M357 I358 | G352-L354 PolarHBondContact O-N 3.34Å; L354-W356 PolarHBondContact O-N 2.98Å; L354-M357 HydrophobicContact CD1-CE 4.05Å; L354-M357 PolarHBondContact O-N 2.69Å; L354-I358 HydrophobicContact CD1-CD1 4.04Å; L354-I358 HydrophobicContact CD1-CG1 4.41Å; L354-I358 HydrophobicContact CG-CD1 3.92Å; L354-I358 VanDerWaalsContact O-CG1 3.27Å; L354-I358 WeakPolarHBondContact O-CG1 3.45Å; L354-I358 PolarHBondContact O-N 3.42Å |
| 355 | A | 72.3 | Confident | 70.1 | Confident | 5 Ų | 5 | 72.6 Ų | 72.6 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.2 | -37.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G352 T353 T359 L406 M411 | G352-A355 PolarHBondContact O-N 3.31Å; T353-A355 PolarHBondContact O-N 3.07Å; A355-T359 PolarHBondContact O-N 3.16Å; A355-T359 PolarHBondContact O-OG1 2.99Å; A355-L406 HydrophobicContact CB-CD2 3.83Å; A355-M411 HydrophobicContact CB-SD 3.88Å |
| 356 | W | 78.8 | Confident | 72.4 | Confident | 125 Ų | 125 | 70.5 Ų | 70.5 | 47% | 0.473 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 172.9 | -82.1 | 112.8 | 0 | 0 | 0 | 112.7 | Y348 T353 L354 L360 F419 | Y348-W356 HydrophobicContact CD1-CZ2 4.45Å; Y348-W356 AromaticContact CE1-CZ2 3.68Å; Y348-W356 HydrophobicContact CE1-CZ2 3.68Å; T353-W356 PolarHBondContact O-N 3Å; L354-W356 PolarHBondContact O-N 2.98Å; W356-L360 VanDerWaalsContact O-CB 3.23Å; W356-L360 WeakPolarHBondContact O-CB 3.34Å; W356-L360 PolarHBondContact O-N 2.94Å; W356-F419 HydrophobicContact CE3-CE1 4.2Å; W356-F419 AromaticContact CH2-CE1 3.84Å; W356-F419 HydrophobicContact CH2-CE1 3.84Å; W356-F419 HydrophobicContact CH2-CZ 4.18Å; W356-F419 HydrophobicContact CZ2-CE1 4.21Å; W356-F419 HydrophobicContact CZ2-CZ 4.24Å; W356-F419 AromaticContact CZ3-CE1 3.83Å; W356-F419 HydrophobicContact CZ3-CE1 3.83Å |
| 357 | M | 80 | Confident | 74.9 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 59% | 0.591 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.1 | -44.1 | 176.3 | -172.4 | -172.1 | 83.2 | 0 | 0 | 111.2 | T353 L354 L360 S361 | T353-M357 WeakPolarHBondContact O-CB 3.47Å; T353-M357 PolarHBondContact O-N 3.12Å; L354-M357 HydrophobicContact CD1-CE 4.05Å; L354-M357 PolarHBondContact O-N 2.69Å; M357-L360 PolarHBondContact O-N 2.91Å; M357-S361 WeakPolarHBondContact O-CB 3.24Å; M357-S361 PolarHBondContact O-N 3.01Å |
| 358 | I | 80 | Confident | 77.5 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 12% | 0.118 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.5 | -60.7 | 174.6 | -69.9 | 163.7 | 0 | 0 | 0 | 109.5 | L354 L360 S361 D362 D402 I405 | L354-I358 HydrophobicContact CD1-CD1 4.04Å; L354-I358 HydrophobicContact CD1-CG1 4.41Å; L354-I358 HydrophobicContact CG-CD1 3.92Å; L354-I358 VanDerWaalsContact O-CG1 3.27Å; L354-I358 WeakPolarHBondContact O-CG1 3.45Å; L354-I358 PolarHBondContact O-N 3.42Å; I358-L360 PolarHBondContact O-N 2.91Å; I358-L360 VanDerWaalsContact O-N 3.08Å; I358-S361 PolarHBondContact O-N 2.93Å; I358-D362 WeakPolarHBondContact O-CB 3.32Å; I358-D362 PolarHBondContact O-N 3.17Å; I358-D402 HydrophobicContact CG2-CB 4.28Å; I358-D402 WeakPolarHBondContact CG2-OD1 3.47Å; I358-I405 HydrophobicContact CD1-CB 4.43Å; I358-I405 HydrophobicContact CD1-CG2 3.48Å; I358-I405 VanDerWaalsContact CD1-CG2 3.48Å |
| 359 | T | 82.2 | Confident | 79.6 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.7 | -34.1 | -177.9 | -41.4 | 0 | 0 | 0 | 0 | 112.8 | A355 G363 F419 | A355-T359 PolarHBondContact O-N 3.16Å; A355-T359 PolarHBondContact O-OG1 2.99Å; T359-G363 PolarHBondContact O-N 3.49Å; T359-F419 HydrophobicContact CG2-CB 4.22Å; T359-F419 HydrophobicContact CG2-CD1 3.72Å; T359-F419 HydrophobicContact CG2-CG 4.48Å |
| 360 | L | 88.3 | Confident | 81.8 | Confident | 132 Ų | 132 | 54.3 Ų | 54.3 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -75.6 | -34.7 | 178.7 | -175.6 | 64.6 | 0 | 0 | 0 | 112.9 | W356 M357 I358 L364 | W356-L360 VanDerWaalsContact O-CB 3.23Å; W356-L360 WeakPolarHBondContact O-CB 3.34Å; W356-L360 PolarHBondContact O-N 2.94Å; M357-L360 PolarHBondContact O-N 2.91Å; I358-L360 PolarHBondContact O-N 2.91Å; I358-L360 VanDerWaalsContact O-N 3.08Å; L360-L364 WeakPolarHBondContact O-CB 3.24Å; L360-L364 PolarHBondContact O-N 3.27Å |
| 361 | S | 87.9 | Confident | 83.9 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.3 | -42.8 | 174.7 | -166.5 | 0 | 0 | 0 | 0 | 111.1 | M357 I358 L364 H365 | M357-S361 WeakPolarHBondContact O-CB 3.24Å; M357-S361 PolarHBondContact O-N 3.01Å; I358-S361 PolarHBondContact O-N 2.93Å; S361-L364 PolarHBondContact O-N 2.97Å; S361-H365 PolarHBondContact O-CE1 2.83Å; S361-H365 PolarHBondContact O-N 3.37Å |
| 362 | D | 88.5 | Confident | 85.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.6 | -60.6 | 171 | 170.8 | 14.5 | 0 | 0 | 0 | 110.5 | I358 L364 H365 N366 S423 | I358-D362 WeakPolarHBondContact O-CB 3.32Å; I358-D362 PolarHBondContact O-N 3.17Å; D362-L364 PolarHBondContact O-N 3.47Å; D362-H365 WeakPolarHBondContact CA-CE1 3.44Å; D362-H365 WeakPolarHBondContact CA-ND1 3.42Å; D362-H365 WeakPolarHBondContact CA-NE2 3.31Å; D362-H365 VanDerWaalsContact O-CG 3.32Å; D362-H365 PolarHBondContact O-N 3Å; D362-H365 PolarHBondContact O-ND1 3.34Å; D362-H365 IonicContact OD1-NE2 2.72Å; D362-H365 PolarHBondContact OD1-NE2 2.99Å; D362-N366 PolarHBondContact O-N 3.12Å; D362-S423 WeakPolarHBondContact OD1-CB 3.45Å; D362-S423 PolarHBondContact OD1-OG 2.73Å; D362-S423 WeakPolarHBondContact OD2-CB 3.34Å; D362-S423 PolarHBondContact OD2-OG 2.97Å |
| 363 | G | 91.5 | Very high | 87.6 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -10.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T359 F367 S423 C426 | T359-G363 PolarHBondContact O-N 3.49Å; G363-F367 WeakPolarHBondContact O-CB 3.22Å; G363-F367 PolarHBondContact O-N 2.81Å; G363-S423 WeakPolarHBondContact CA-OG 3.39Å; G363-S423 PolarHBondContact N-OG 2.85Å; G363-C426 VanDerWaalsContact O-CB 3.23Å; G363-C426 WeakPolarHBondContact O-CB 3.39Å |
| 364 | L | 91.9 | Very high | 88.6 | Confident | 108 Ų | 108 | 40.2 Ų | 40.2 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -91.5 | -36.3 | 173 | -175.2 | 145.7 | 0 | 0 | 0 | 112.5 | L360 S361 D362 I368 | L360-L364 WeakPolarHBondContact O-CB 3.24Å; L360-L364 PolarHBondContact O-N 3.27Å; S361-L364 PolarHBondContact O-N 2.97Å; D362-L364 PolarHBondContact O-N 3.47Å; L364-I368 HydrophobicContact CD2-CD1 3.92Å; L364-I368 WeakPolarHBondContact O-CG1 3.26Å; L364-I368 PolarHBondContact O-N 3.13Å |
| 365 | H | 92.1 | Very high | 89.8 | Confident | 19 Ų | 19 | 35.5 Ų | 35.5 | 9% | 0.088 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66 | -52.2 | 168.8 | 74.5 | -117.2 | 0 | 0 | 0 | 109.2 | S361 D362 F367 I368 D369 E395 H398 D402 M453 I457 | S361-H365 PolarHBondContact O-CE1 2.83Å; S361-H365 PolarHBondContact O-N 3.37Å; D362-H365 WeakPolarHBondContact CA-CE1 3.44Å; D362-H365 WeakPolarHBondContact CA-ND1 3.42Å; D362-H365 WeakPolarHBondContact CA-NE2 3.31Å; D362-H365 VanDerWaalsContact O-CG 3.32Å; D362-H365 PolarHBondContact O-N 3Å; D362-H365 PolarHBondContact O-ND1 3.34Å; D362-H365 IonicContact OD1-NE2 2.72Å; D362-H365 PolarHBondContact OD1-NE2 2.99Å; H365-F367 CarbonylContact O-C 3.37Å; H365-F367 PolarHBondContact O-N 3.15Å; H365-I368 CarbonylContact O-C 3.59Å; H365-I368 WeakPolarHBondContact O-CA 3.31Å; H365-I368 WeakPolarHBondContact O-CB 3.47Å; H365-I368 PolarHBondContact O-N 3.34Å; H365-D369 IonicContact CD2-OD2 2.71Å; H365-D369 PolarHBondContact O-N 3.41Å; H365-E395 IonicContact CD2-OE1 3.72Å; H365-H398 AromaticContact NE2-ND1 3.65Å; H365-D402 IonicContact NE2-OD2 2.62Å; H365-M453 HydrophobicContact CB-CE 3.98Å; H365-I457 HydrophobicContact CB-CD1 3.97Å |
| 366 | N | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -51.5 | -36.9 | -179.8 | -113.7 | -88.3 | 0 | 0 | 0 | 112.3 | D362 G370 E395 A424 C427 | D362-N366 PolarHBondContact O-N 3.12Å; N366-G370 PolarHBondContact O-N 2.96Å; N366-E395 VanDerWaalsContact CG-OE1 3.32Å; N366-E395 PolarHBondContact ND2-OE1 3.12Å; N366-E395 PolarHBondContact ND2-OE2 2.97Å; N366-E395 VanDerWaalsContact ND2-OE2 3.13Å; N366-E395 PolarHBondContact OD1-OE1 3.04Å; N366-A424 WeakPolarHBondContact OD1-CA 3.28Å; N366-C427 HydrophobicContact CB-CB 4.45Å; N366-C427 WeakPolarHBondContact O-CA 3.47Å; N366-C427 WeakPolarHBondContact O-CB 3.35Å; N366-C427 WeakPolarHBondContact OD1-CB 3.35Å |
| 367 | F | 95.7 | Very high | 91.5 | Very high | 67 Ų | 67 | 29.4 Ų | 29.4 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65 | -43 | 171.9 | 177.9 | -93.9 | 0 | 0 | 0 | 114 | G363 H365 D369 L371 C426 L429 G430 F433 | G363-F367 WeakPolarHBondContact O-CB 3.22Å; G363-F367 PolarHBondContact O-N 2.81Å; H365-F367 CarbonylContact O-C 3.37Å; H365-F367 PolarHBondContact O-N 3.15Å; F367-D369 VanDerWaalsContact C-N 3.34Å; F367-L371 WeakPolarHBondContact O-CB 3.47Å; F367-L371 PolarHBondContact O-N 3.19Å; F367-C426 HydrophobicContact CB-CB 4.24Å; F367-L429 HydrophobicContact CD2-CB 4.26Å; F367-L429 HydrophobicContact CE2-CB 4.34Å; F367-G430 WeakPolarHBondContact O-CA 3.4Å; F367-F433 HydrophobicContact CE2-CD2 4.27Å; F367-F433 HydrophobicContact CZ-CB 4.3Å; F367-F433 HydrophobicContact CZ-CD2 4.4Å; F367-F433 HydrophobicContact CZ-CG 4.34Å |
| 368 | I | 95 | Very high | 92 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 12% | 0.118 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.9 | -34.5 | 176.8 | -62.7 | 167.3 | 0 | 0 | 0 | 110.8 | L364 H365 L371 A372 M453 | L364-I368 HydrophobicContact CD2-CD1 3.92Å; L364-I368 WeakPolarHBondContact O-CG1 3.26Å; L364-I368 PolarHBondContact O-N 3.13Å; H365-I368 CarbonylContact O-C 3.59Å; H365-I368 WeakPolarHBondContact O-CA 3.31Å; H365-I368 WeakPolarHBondContact O-CB 3.47Å; H365-I368 PolarHBondContact O-N 3.34Å; I368-L371 CarbonylContact O-C 3.57Å; I368-L371 VanDerWaalsContact O-CB 3.3Å; I368-L371 WeakPolarHBondContact O-CB 3.41Å; I368-L371 PolarHBondContact O-N 3.5Å; I368-A372 WeakPolarHBondContact O-CB 3.46Å; I368-A372 PolarHBondContact O-N 2.9Å; I368-M453 HydrophobicContact CB-CE 3.97Å; I368-M453 HydrophobicContact CD1-CG 4.12Å; I368-M453 HydrophobicContact CG2-CB 4.25Å; I368-M453 HydrophobicContact CG2-CE 3.92Å; I368-M453 HydrophobicContact CG2-CG 4.05Å |
| 369 | D | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.1 | -44.2 | 176.5 | -64 | -50.5 | 0 | 0 | 0 | 111.6 | H365 F367 L371 A372 I373 I391 M453 F454 | H365-D369 IonicContact CD2-OD2 2.71Å; H365-D369 PolarHBondContact O-N 3.41Å; F367-D369 VanDerWaalsContact C-N 3.34Å; D369-L371 VanDerWaalsContact C-N 3.32Å; D369-L371 PolarHBondContact O-N 2.98Å; D369-A372 PolarHBondContact O-N 3.48Å; D369-I373 VanDerWaalsContact O-CG1 3.31Å; D369-I373 WeakPolarHBondContact O-CG1 3.46Å; D369-I373 PolarHBondContact O-N 3.24Å; D369-I391 HydrophobicContact CB-CD1 3.96Å; D369-I391 HydrophobicContact CB-CG1 4.21Å; D369-I391 HydrophobicContact CB-CG2 3.97Å; D369-M453 VanDerWaalsContact CG-CE 3.48Å; D369-M453 WeakPolarHBondContact OD1-CE 3.47Å; D369-M453 VanDerWaalsContact OD2-CE 3.23Å; D369-M453 WeakPolarHBondContact OD2-CE 3.21Å; D369-F454 WeakPolarHBondContact OD1-CE1 3.37Å; D369-F454 WeakPolarHBondContact OD1-CZ 3.48Å |
| 370 | G | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.2 | -48.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N366 A372 I373 G374 C427 M431 | N366-G370 PolarHBondContact O-N 2.96Å; G370-A372 VanDerWaalsContact C-N 3.29Å; G370-A372 PolarHBondContact O-N 2.9Å; G370-I373 PolarHBondContact O-N 3.42Å; G370-G374 PolarHBondContact O-N 2.91Å; G370-C427 WeakPolarHBondContact CA-O 3.36Å; G370-C427 WeakPolarHBondContact CA-SG 3.17Å; G370-C427 PolarHBondContact N-SG 3.46Å; G370-M431 WeakPolarHBondContact O-CA 3.49Å; G370-M431 PolarHBondContact O-N 3.47Å |
| 371 | L | 96.1 | Very high | 92.6 | Very high | 20 Ų | 20 | 19.3 Ų | 19.3 | 11% | 0.105 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58 | -41.7 | 179.2 | -165.5 | 80.9 | 0 | 0 | 0 | 111.6 | F367 I368 D369 A375 G430 F433 I446 L449 | F367-L371 WeakPolarHBondContact O-CB 3.47Å; F367-L371 PolarHBondContact O-N 3.19Å; I368-L371 CarbonylContact O-C 3.57Å; I368-L371 VanDerWaalsContact O-CB 3.3Å; I368-L371 WeakPolarHBondContact O-CB 3.41Å; I368-L371 PolarHBondContact O-N 3.5Å; D369-L371 VanDerWaalsContact C-N 3.32Å; D369-L371 PolarHBondContact O-N 2.98Å; L371-A375 WeakPolarHBondContact O-CB 3.43Å; L371-A375 PolarHBondContact O-N 2.71Å; L371-G430 WeakPolarHBondContact CA-O 3.46Å; L371-G430 VanDerWaalsContact N-C 3.29Å; L371-G430 PolarHBondContact N-O 2.67Å; L371-F433 HydrophobicContact CD1-CB 3.77Å; L371-I446 HydrophobicContact CB-CG2 4.47Å; L371-I446 HydrophobicContact CD2-CG1 4.41Å; L371-I446 HydrophobicContact CD2-CG2 3.84Å; L371-I446 HydrophobicContact CG-CG1 4.49Å; L371-I446 HydrophobicContact CG-CG2 3.72Å; L371-L449 HydrophobicContact CD2-CD2 4.18Å |
| 372 | A | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I368 D369 G370 S376 T387 A450 F454 | I368-A372 WeakPolarHBondContact O-CB 3.46Å; I368-A372 PolarHBondContact O-N 2.9Å; D369-A372 PolarHBondContact O-N 3.48Å; G370-A372 VanDerWaalsContact C-N 3.29Å; G370-A372 PolarHBondContact O-N 2.9Å; A372-S376 WeakPolarHBondContact O-CB 3.28Å; A372-S376 PolarHBondContact O-N 3.24Å; A372-S376 PolarHBondContact O-OG 2.95Å; A372-T387 HydrophobicContact CB-CG2 4.13Å; A372-A450 HydrophobicContact CB-CB 3.7Å; A372-F454 HydrophobicContact CB-CE1 4.43Å; A372-F454 HydrophobicContact CB-CZ 4.33Å |
| 373 | I | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59 | -51.1 | 173.9 | -69.6 | 167.3 | 0 | 0 | 0 | 110.3 | V174 I177 D369 G370 A375 S376 F377 I391 M431 | V174-I373 HydrophobicContact CG2-CD1 4.05Å; V174-I373 HydrophobicContact CG2-CG2 4.29Å; I177-I373 HydrophobicContact CD1-CD1 3.57Å; D369-I373 VanDerWaalsContact O-CG1 3.31Å; D369-I373 WeakPolarHBondContact O-CG1 3.46Å; D369-I373 PolarHBondContact O-N 3.24Å; G370-I373 PolarHBondContact O-N 3.42Å; I373-A375 PolarHBondContact O-N 2.98Å; I373-S376 PolarHBondContact O-N 3.35Å; I373-F377 HydrophobicContact CG2-CD2 3.74Å; I373-F377 HydrophobicContact CG2-CE2 3.83Å; I373-F377 WeakPolarHBondContact O-CD2 3Å; I373-F377 PolarHBondContact O-N 2.82Å; I373-I391 HydrophobicContact CD1-CD1 3.66Å; I373-I391 HydrophobicContact CG1-CD1 3.44Å; I373-I391 VanDerWaalsContact CG1-CD1 3.44Å; I373-M431 HydrophobicContact CG2-CG 4.46Å |
| 374 | G | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G370 T378 | G370-G374 PolarHBondContact O-N 2.91Å; G374-T378 PolarHBondContact O-N 3.21Å |
| 375 | A | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L371 I373 F377 T378 A379 P443 I446 F447 | L371-A375 WeakPolarHBondContact O-CB 3.43Å; L371-A375 PolarHBondContact O-N 2.71Å; I373-A375 PolarHBondContact O-N 2.98Å; A375-F377 PolarHBondContact O-N 2.98Å; A375-T378 PolarHBondContact O-N 3.18Å; A375-T378 VanDerWaalsContact O-N 3.13Å; A375-T378 PolarHBondContact O-OG1 3.02Å; A375-A379 PolarHBondContact O-N 3.08Å; A375-P443 HydrophobicContact CB-CB 4.11Å; A375-I446 HydrophobicContact CB-CB 3.9Å; A375-I446 HydrophobicContact CB-CD1 3.8Å; A375-I446 HydrophobicContact CB-CG1 4.47Å; A375-I446 HydrophobicContact CB-CG2 3.61Å; A375-F447 HydrophobicContact CB-CD1 4.31Å; A375-F447 HydrophobicContact CB-CE1 3.67Å; A375-F447 HydrophobicContact CB-CZ 4.16Å |
| 376 | S | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | -178.5 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | A372 I373 T378 A379 S380 T387 F447 | A372-S376 WeakPolarHBondContact O-CB 3.28Å; A372-S376 PolarHBondContact O-N 3.24Å; A372-S376 PolarHBondContact O-OG 2.95Å; I373-S376 PolarHBondContact O-N 3.35Å; S376-T378 PolarHBondContact O-N 3.04Å; S376-A379 PolarHBondContact O-N 3.02Å; S376-S380 PolarHBondContact O-N 3Å; S376-T387 PolarHBondContact OG-OG1 2.99Å; S376-F447 WeakPolarHBondContact OG-CE1 3.46Å |
| 377 | F | 93.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.2 | -32.7 | 173.7 | -82.6 | -67.7 | 0 | 0 | 0 | 113.2 | P161 V166 Y169 C173 I373 A375 A379 V381 I385 | P161-F377 VanDerWaalsContact CG-O 3.23Å; P161-F377 WeakPolarHBondContact CG-O 3.3Å; V166-F377 HydrophobicContact CG1-CB 4.02Å; Y169-F377 HydrophobicContact CD2-CE1 4.48Å; Y169-F377 HydrophobicContact CG-CE1 4.16Å; C173-F377 HydrophobicContact CB-CE2 4.22Å; I373-F377 HydrophobicContact CG2-CD2 3.74Å; I373-F377 HydrophobicContact CG2-CE2 3.83Å; I373-F377 WeakPolarHBondContact O-CD2 3Å; I373-F377 PolarHBondContact O-N 2.82Å; A375-F377 PolarHBondContact O-N 2.98Å; F377-A379 PolarHBondContact O-N 3.5Å; F377-V381 HydrophobicContact CE1-CG1 4.33Å; F377-I385 HydrophobicContact CE1-CG1 4.03Å; F377-I385 HydrophobicContact CZ-CG1 3.94Å |
| 378 | T | 90.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.5 | -19.8 | 173 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | R160 V166 G374 A375 S376 I435 | R160-T378 PolarHBondContact NE-O 2.98Å; V166-T378 HydrophobicContact CG1-CG2 3.81Å; G374-T378 PolarHBondContact O-N 3.21Å; A375-T378 PolarHBondContact O-N 3.18Å; A375-T378 VanDerWaalsContact O-N 3.13Å; A375-T378 PolarHBondContact O-OG1 3.02Å; S376-T378 PolarHBondContact O-N 3.04Å; T378-I435 HydrophobicContact CG2-CB 4.3Å; T378-I435 HydrophobicContact CG2-CG2 4.02Å |
| 379 | A | 86.9 | Confident | 92.5 | Very high | 32 Ų | 32 | 11.9 Ų | 11.9 | 26% | 0.264 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -85.9 | -57.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A375 S376 F377 Q383 F447 | A375-A379 PolarHBondContact O-N 3.08Å; S376-A379 PolarHBondContact O-N 3.02Å; F377-A379 PolarHBondContact O-N 3.5Å; A379-Q383 VanDerWaalsContact CB-OE1 3.27Å; A379-F447 HydrophobicContact CB-CE2 4.27Å; A379-F447 HydrophobicContact CB-CZ 3.98Å |
| 380 | S | 88 | Confident | 92.5 | Very high | 27 Ų | 27 | 11.9 Ų | 11.9 | 19% | 0.189 | 7% | 0.071 | C | C | . | . | trans | -157.9 | 153.7 | 172.4 | 68 | 0 | 0 | 0 | 0 | 113.4 | S376 F382 Q383 G384 | S376-S380 PolarHBondContact O-N 3Å; S380-F382 PolarHBondContact O-N 3.03Å; S380-Q383 PolarHBondContact O-N 3.49Å; S380-Q383 VanDerWaalsContact OG-CB 3.22Å; S380-Q383 WeakPolarHBondContact OG-CB 3.33Å; S380-Q383 PolarHBondContact OG-N 2.94Å; S380-Q383 VanDerWaalsContact OG-N 3.1Å; S380-G384 PolarHBondContact O-N 3.48Å | ||
| 381 | V | 88.4 | Confident | 92.4 | Very high | 19 Ų | 19 | 11.9 Ų | 11.9 | 12% | 0.115 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.1 | -39.8 | 173.3 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | P161 Y169 F377 G384 I385 L511 | P161-V381 HydrophobicContact CB-CG2 3.69Å; P161-V381 HydrophobicContact CG-CG2 4Å; Y169-V381 HydrophobicContact CD2-CG1 4.02Å; Y169-V381 HydrophobicContact CE2-CG1 3.98Å; Y169-V381 HydrophobicContact CE2-CG2 4.44Å; F377-V381 HydrophobicContact CE1-CG1 4.33Å; V381-G384 PolarHBondContact O-N 2.9Å; V381-I385 HydrophobicContact CG1-CD1 3.94Å; V381-I385 WeakPolarHBondContact O-CG1 3.35Å; V381-I385 PolarHBondContact O-N 3.38Å; V381-L511 HydrophobicContact CG1-CB 4.37Å; V381-L511 HydrophobicContact CG1-CD1 4.06Å |
| 382 | F | 87.1 | Confident | 92.2 | Very high | 23 Ų | 23 | 13.8 Ų | 13.8 | 10% | 0.101 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.1 | -50.6 | 179.9 | -176.7 | -91.7 | 0 | 0 | 0 | 112.3 | S380 G384 I385 S386 L502 S506 I509 L511 | S380-F382 PolarHBondContact O-N 3.03Å; F382-G384 VanDerWaalsContact C-N 3.33Å; F382-G384 PolarHBondContact O-N 2.92Å; F382-I385 PolarHBondContact O-N 3.27Å; F382-S386 VanDerWaalsContact O-CB 3.29Å; F382-S386 WeakPolarHBondContact O-CB 3.29Å; F382-S386 PolarHBondContact O-N 2.86Å; F382-L502 HydrophobicContact CE1-CB 4.44Å; F382-L502 WeakPolarHBondContact CE1-O 3.04Å; F382-L502 HydrophobicContact CE2-CD2 4.03Å; F382-L502 HydrophobicContact CZ-CB 3.83Å; F382-L502 HydrophobicContact CZ-CD2 3.78Å; F382-L502 HydrophobicContact CZ-CG 4.43Å; F382-L502 WeakPolarHBondContact CZ-O 3.48Å; F382-S506 WeakPolarHBondContact CD1-OG 3.44Å; F382-I509 HydrophobicContact CD2-CB 4.43Å; F382-I509 HydrophobicContact CD2-CD1 4.46Å; F382-I509 HydrophobicContact CE2-CB 4.49Å; F382-I509 HydrophobicContact CE2-CD1 3.71Å; F382-I509 HydrophobicContact CZ-CD1 4.47Å; F382-L511 HydrophobicContact CB-CD1 4.47Å; F382-L511 HydrophobicContact CD2-CD1 4.35Å |
| 383 | Q | 87.3 | Confident | 92.1 | Very high | 14 Ų | 14 | 14.7 Ų | 14.7 | 7% | 0.065 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.5 | -37.6 | 179.1 | -171.8 | -175.2 | -6.4 | 0 | 0 | 111.8 | A379 S380 S386 T387 F447 | A379-Q383 VanDerWaalsContact CB-OE1 3.27Å; S380-Q383 PolarHBondContact O-N 3.49Å; S380-Q383 VanDerWaalsContact OG-CB 3.22Å; S380-Q383 WeakPolarHBondContact OG-CB 3.33Å; S380-Q383 PolarHBondContact OG-N 2.94Å; S380-Q383 VanDerWaalsContact OG-N 3.1Å; Q383-S386 PolarHBondContact O-N 2.97Å; Q383-T387 WeakPolarHBondContact O-CB 3.37Å; Q383-T387 PolarHBondContact O-N 3.01Å; Q383-T387 PolarHBondContact O-OG1 2.98Å; Q383-F447 VanDerWaalsContact NE2-CZ 3.25Å |
| 384 | G | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.9 | -50.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S380 V381 F382 S388 | S380-G384 PolarHBondContact O-N 3.48Å; V381-G384 PolarHBondContact O-N 2.9Å; F382-G384 VanDerWaalsContact C-N 3.33Å; F382-G384 PolarHBondContact O-N 2.92Å; G384-S388 VanDerWaalsContact O-CB 3.32Å; G384-S388 WeakPolarHBondContact O-CB 3.5Å; G384-S388 PolarHBondContact O-N 3.19Å; G384-S388 PolarHBondContact O-OG 2.92Å |
| 385 | I | 92.6 | Very high | 91.6 | Very high | 59 Ų | 59 | 14.8 Ų | 14.8 | 30% | 0.303 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.7 | -70.4 | 170.3 | 0 | 0 | 0 | 110.9 | F377 V381 F382 S388 V389 L511 | F377-I385 HydrophobicContact CE1-CG1 4.03Å; F377-I385 HydrophobicContact CZ-CG1 3.94Å; V381-I385 HydrophobicContact CG1-CD1 3.94Å; V381-I385 WeakPolarHBondContact O-CG1 3.35Å; V381-I385 PolarHBondContact O-N 3.38Å; F382-I385 PolarHBondContact O-N 3.27Å; I385-S388 WeakPolarHBondContact O-CB 3.5Å; I385-S388 PolarHBondContact O-N 2.56Å; I385-V389 HydrophobicContact CG2-CG2 4.4Å; I385-V389 WeakPolarHBondContact O-CG2 3.4Å; I385-V389 PolarHBondContact O-N 2.75Å; I385-L511 HydrophobicContact CD1-CD1 3.75Å |
| 386 | S | 91.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | -177.4 | -179.3 | 0 | 0 | 0 | 0 | 112.7 | Q218 F382 Q383 V389 A390 M499 | Q218-S386 PolarHBondContact NE2-OG 3.01Å; Q218-S386 VanDerWaalsContact OE1-CB 3.24Å; Q218-S386 PolarHBondContact OE1-OG 2.96Å; F382-S386 VanDerWaalsContact O-CB 3.29Å; F382-S386 WeakPolarHBondContact O-CB 3.29Å; F382-S386 PolarHBondContact O-N 2.86Å; Q383-S386 PolarHBondContact O-N 2.97Å; S386-V389 PolarHBondContact O-N 3.47Å; S386-A390 PolarHBondContact O-N 3.25Å; S386-A390 VanDerWaalsContact O-N 3.1Å; S386-M499 VanDerWaalsContact OG-CE 3.28Å; S386-M499 WeakPolarHBondContact OG-CE 3.3Å |
| 387 | T | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.5 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | A372 S376 Q383 V389 A390 I391 F454 | A372-T387 HydrophobicContact CB-CG2 4.13Å; S376-T387 PolarHBondContact OG-OG1 2.99Å; Q383-T387 WeakPolarHBondContact O-CB 3.37Å; Q383-T387 PolarHBondContact O-N 3.01Å; Q383-T387 PolarHBondContact O-OG1 2.98Å; T387-V389 VanDerWaalsContact C-N 3.3Å; T387-V389 PolarHBondContact O-N 2.77Å; T387-A390 WeakPolarHBondContact O-CB 3.45Å; T387-A390 PolarHBondContact O-N 2.81Å; T387-A390 VanDerWaalsContact O-N 3.15Å; T387-I391 HydrophobicContact CG2-CD1 3.81Å; T387-I391 WeakPolarHBondContact O-CD1 3.48Å; T387-I391 WeakPolarHBondContact O-CG1 3.38Å; T387-I391 PolarHBondContact O-N 3.29Å; T387-I391 VanDerWaalsContact O-N 3.09Å; T387-F454 HydrophobicContact CG2-CZ 4.47Å |
| 388 | S | 95.5 | Very high | 90.6 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.7 | -34 | 175.6 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | C173 G384 I385 L392 | C173-S388 WeakPolarHBondContact CB-OG 3.43Å; G384-S388 VanDerWaalsContact O-CB 3.32Å; G384-S388 WeakPolarHBondContact O-CB 3.5Å; G384-S388 PolarHBondContact O-N 3.19Å; G384-S388 PolarHBondContact O-OG 2.92Å; I385-S388 WeakPolarHBondContact O-CB 3.5Å; I385-S388 PolarHBondContact O-N 2.56Å; S388-L392 WeakPolarHBondContact O-CB 3.32Å; S388-L392 PolarHBondContact O-N 2.95Å |
| 389 | V | 93.8 | Very high | 90.3 | Very high | 47 Ų | 47 | 17.7 Ų | 17.7 | 29% | 0.285 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -69.9 | -36.1 | 174.5 | 166.2 | 0 | 0 | 0 | 0 | 111.5 | I385 S386 T387 C393 I498 L502 | I385-V389 HydrophobicContact CG2-CG2 4.4Å; I385-V389 WeakPolarHBondContact O-CG2 3.4Å; I385-V389 PolarHBondContact O-N 2.75Å; S386-V389 PolarHBondContact O-N 3.47Å; T387-V389 VanDerWaalsContact C-N 3.3Å; T387-V389 PolarHBondContact O-N 2.77Å; V389-C393 PolarHBondContact O-N 2.94Å; V389-C393 PolarHBondContact O-SG 3.4Å; V389-I498 HydrophobicContact CG1-CG2 4.09Å; V389-L502 HydrophobicContact CG1-CD1 4.5Å |
| 390 | A | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.4 | -47.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T210 N214 S386 T387 C393 E394 M499 | T210-A390 PolarHBondContact OG1-O 2.98Å; N214-A390 HydrophobicContact CB-CB 3.75Å; S386-A390 PolarHBondContact O-N 3.25Å; S386-A390 VanDerWaalsContact O-N 3.1Å; T387-A390 WeakPolarHBondContact O-CB 3.45Å; T387-A390 PolarHBondContact O-N 2.81Å; T387-A390 VanDerWaalsContact O-N 3.15Å; A390-C393 WeakPolarHBondContact O-CB 3.23Å; A390-C393 PolarHBondContact O-N 3.48Å; A390-E394 PolarHBondContact O-N 3Å; A390-M499 HydrophobicContact CB-CE 4.22Å; A390-M499 HydrophobicContact CB-SD 4.16Å |
| 391 | I | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 178 | -63.7 | 158.1 | 0 | 0 | 0 | 111.1 | I177 D369 I373 T387 C393 E394 E395 F454 | I177-I391 HydrophobicContact CD1-CB 4.3Å; I177-I391 HydrophobicContact CD1-CG2 3.92Å; I177-I391 HydrophobicContact CG2-CG2 4.35Å; D369-I391 HydrophobicContact CB-CD1 3.96Å; D369-I391 HydrophobicContact CB-CG1 4.21Å; D369-I391 HydrophobicContact CB-CG2 3.97Å; I373-I391 HydrophobicContact CD1-CD1 3.66Å; I373-I391 HydrophobicContact CG1-CD1 3.44Å; I373-I391 VanDerWaalsContact CG1-CD1 3.44Å; T387-I391 HydrophobicContact CG2-CD1 3.81Å; T387-I391 WeakPolarHBondContact O-CD1 3.48Å; T387-I391 WeakPolarHBondContact O-CG1 3.38Å; T387-I391 PolarHBondContact O-N 3.29Å; T387-I391 VanDerWaalsContact O-N 3.09Å; I391-C393 PolarHBondContact O-N 2.9Å; I391-E394 WeakPolarHBondContact CA-OE1 3.16Å; I391-E394 WeakPolarHBondContact O-CG 3.27Å; I391-E394 PolarHBondContact O-N 3.12Å; I391-E395 HydrophobicContact CG2-CG 3.64Å; I391-E395 WeakPolarHBondContact O-CG 3.38Å; I391-E395 PolarHBondContact O-N 2.92Å; I391-F454 HydrophobicContact CD1-CZ 3.92Å; I391-F454 HydrophobicContact CG1-CE2 4.01Å; I391-F454 HydrophobicContact CG1-CZ 3.59Å |
| 392 | L | 93.3 | Very high | 89.7 | Confident | 60 Ų | 60 | 16.4 Ų | 16.4 | 31% | 0.314 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -56.6 | -25.6 | 176.7 | -176 | 65.5 | 0 | 0 | 0 | 113 | I177 C180 S388 | I177-L392 HydrophobicContact CB-CD1 4.46Å; I177-L392 HydrophobicContact CG1-CB 4.12Å; I177-L392 HydrophobicContact CG1-CD1 3.91Å; C180-L392 HydrophobicContact CB-CD1 4.32Å; S388-L392 WeakPolarHBondContact O-CB 3.32Å; S388-L392 PolarHBondContact O-N 2.95Å |
| 393 | C | 92.1 | Very high | 89.6 | Confident | 18 Ų | 18 | 15.4 Ų | 15.4 | 12% | 0.122 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -82.4 | -22.1 | 175.5 | -65.3 | 0 | 0 | 0 | 0 | 114 | L206 A207 T210 V389 A390 I391 P397 | L206-C393 HydrophobicContact CD2-CB 4.33Å; L206-C393 HydrophobicContact CG-CB 4.39Å; A207-C393 WeakPolarHBondContact CB-O 3.48Å; T210-C393 HydrophobicContact CG2-CB 3.99Å; T210-C393 WeakPolarHBondContact OG1-CB 3.31Å; V389-C393 PolarHBondContact O-N 2.94Å; V389-C393 PolarHBondContact O-SG 3.4Å; A390-C393 WeakPolarHBondContact O-CB 3.23Å; A390-C393 PolarHBondContact O-N 3.48Å; I391-C393 PolarHBondContact O-N 2.9Å; C393-P397 WeakPolarHBondContact O-CD 3.47Å |
| 394 | E | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -91 | -40.1 | 176.2 | 89.6 | -166.3 | 110.8 | 0 | 0 | 113.4 | A207 L211 A390 I391 F396 P397 H398 | A207-E394 HydrophobicContact CB-CB 4.01Å; L211-E394 HydrophobicContact CD1-CB 3.67Å; L211-E394 HydrophobicContact CD1-CG 4.3Å; L211-E394 WeakPolarHBondContact CD1-OE2 3.26Å; L211-E394 HydrophobicContact CD2-CB 3.95Å; L211-E394 HydrophobicContact CD2-CG 4.11Å; L211-E394 WeakPolarHBondContact CD2-OE1 3.42Å; L211-E394 VanDerWaalsContact CD2-OE2 3.28Å; L211-E394 WeakPolarHBondContact CD2-OE2 3.47Å; L211-E394 HydrophobicContact CG-CB 4.02Å; A390-E394 PolarHBondContact O-N 3Å; I391-E394 WeakPolarHBondContact CA-OE1 3.16Å; I391-E394 WeakPolarHBondContact O-CG 3.27Å; I391-E394 PolarHBondContact O-N 3.12Å; E394-F396 VanDerWaalsContact C-N 3.29Å; E394-F396 PolarHBondContact O-N 3.43Å; E394-P397 WeakPolarHBondContact O-CD 3.33Å; E394-P397 WeakPolarHBondContact O-CG 3.38Å; E394-H398 WeakPolarHBondContact O-CB 2.88Å; E394-H398 PolarHBondContact O-N 3.18Å |
| 395 | E | 89.5 | Confident | 88.9 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.6 | -36.6 | -178.7 | -69.3 | -80.2 | -165.4 | 0 | 0 | 111.1 | I177 H365 N366 I391 H398 E399 | I177-E395 HydrophobicContact CG2-CB 3.95Å; I177-E395 HydrophobicContact CG2-CG 3.66Å; H365-E395 IonicContact CD2-OE1 3.72Å; N366-E395 VanDerWaalsContact CG-OE1 3.32Å; N366-E395 PolarHBondContact ND2-OE1 3.12Å; N366-E395 PolarHBondContact ND2-OE2 2.97Å; N366-E395 VanDerWaalsContact ND2-OE2 3.13Å; N366-E395 PolarHBondContact OD1-OE1 3.04Å; I391-E395 HydrophobicContact CG2-CG 3.64Å; I391-E395 WeakPolarHBondContact O-CG 3.38Å; I391-E395 PolarHBondContact O-N 2.92Å; E395-H398 PolarHBondContact O-N 2.99Å; E395-E399 VanDerWaalsContact O-CB 3.25Å; E395-E399 WeakPolarHBondContact O-CB 3.35Å; E395-E399 WeakPolarHBondContact O-CG 3.31Å; E395-E399 PolarHBondContact O-N 3.43Å; E395-E399 WeakPolarHBondContact OE2-CG 3.33Å |
| 396 | F | 87.2 | Confident | 88.4 | Confident | 41 Ų | 41 | 17.1 Ų | 17.1 | 18% | 0.18 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 179.3 | -176.8 | -95.2 | 0 | 0 | 0 | 114.2 | C180 I183 F203 E394 | C180-F396 HydrophobicContact CB-CD2 4.46Å; I183-F396 HydrophobicContact CG2-CE2 4.49Å; F203-F396 HydrophobicContact CB-CD1 4.15Å; F203-F396 AromaticContact CD1-CD1 3.94Å; F203-F396 HydrophobicContact CD1-CD1 3.94Å; F203-F396 HydrophobicContact CD1-CE1 4.38Å; F203-F396 AromaticContact CD2-CD1 3.81Å; F203-F396 HydrophobicContact CD2-CD1 3.81Å; F203-F396 AromaticContact CD2-CE1 3.48Å; F203-F396 HydrophobicContact CD2-CE1 3.48Å; F203-F396 VanDerWaalsContact CD2-CE1 3.48Å; F203-F396 HydrophobicContact CE1-CD1 4.27Å; F203-F396 HydrophobicContact CE1-CE1 4.49Å; F203-F396 HydrophobicContact CE2-CD1 4.14Å; F203-F396 AromaticContact CE2-CE1 3.6Å; F203-F396 HydrophobicContact CE2-CE1 3.6Å; F203-F396 HydrophobicContact CE2-CZ 4.42Å; F203-F396 AromaticContact CG-CD1 3.71Å; F203-F396 HydrophobicContact CG-CD1 3.71Å; F203-F396 AromaticContact CG-CE1 3.91Å; F203-F396 HydrophobicContact CG-CE1 3.91Å; F203-F396 HydrophobicContact CZ-CD1 4.36Å; F203-F396 HydrophobicContact CZ-CE1 4.13Å; E394-F396 VanDerWaalsContact C-N 3.29Å; E394-F396 PolarHBondContact O-N 3.43Å |
| 397 | P | 86.1 | Confident | 88 | Confident | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -73.7 | -37.6 | 168.7 | 24.2 | -30.7 | 0 | 0 | 0 | 114.3 | L200 F203 I204 A207 C393 E394 G401 | L200-P397 HydrophobicContact CD1-CB 4.06Å; F203-P397 HydrophobicContact CB-CB 4.39Å; F203-P397 HydrophobicContact CB-CG 4.36Å; I204-P397 HydrophobicContact CG1-CB 3.7Å; A207-P397 HydrophobicContact CB-CG 4.1Å; C393-P397 WeakPolarHBondContact O-CD 3.47Å; E394-P397 WeakPolarHBondContact O-CD 3.33Å; E394-P397 WeakPolarHBondContact O-CG 3.38Å; P397-G401 PolarHBondContact O-N 3.26Å |
| 398 | H | 86.1 | Confident | 87.4 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 7% | 0.065 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.5 | -60.6 | -178.8 | -109.4 | -74.4 | 0 | 0 | 0 | 112.5 | H365 E394 E395 L400 G401 D402 D461 M462 | H365-H398 AromaticContact NE2-ND1 3.65Å; E394-H398 WeakPolarHBondContact O-CB 2.88Å; E394-H398 PolarHBondContact O-N 3.18Å; E395-H398 PolarHBondContact O-N 2.99Å; H398-L400 PolarHBondContact O-N 3.37Å; H398-G401 WeakPolarHBondContact O-CA 3.46Å; H398-G401 PolarHBondContact O-N 3.11Å; H398-D402 IonicContact ND1-OD2 3.89Å; H398-D402 PolarHBondContact O-N 3.39Å; H398-D461 IonicContact CE1-OD2 2.99Å; H398-M462 VanDerWaalsContact NE2-CE 3.32Å; H398-M462 WeakPolarHBondContact NE2-CE 3.18Å |
| 399 | E | 85.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.3 | -28.4 | -177.3 | -72.1 | -99.2 | -135.3 | 0 | 0 | 111.8 | S181 E395 F403 N420 | S181-E399 WeakPolarHBondContact CB-OE1 3.37Å; S181-E399 VanDerWaalsContact CB-OE2 3.23Å; S181-E399 WeakPolarHBondContact CB-OE2 3.15Å; S181-E399 PolarHBondContact OG-OE1 3.05Å; E395-E399 VanDerWaalsContact O-CB 3.25Å; E395-E399 WeakPolarHBondContact O-CB 3.35Å; E395-E399 WeakPolarHBondContact O-CG 3.31Å; E395-E399 PolarHBondContact O-N 3.43Å; E395-E399 WeakPolarHBondContact OE2-CG 3.33Å; E399-F403 WeakPolarHBondContact O-CB 3.44Å; E399-F403 PolarHBondContact O-N 3.06Å; E399-F403 VanDerWaalsContact O-N 3.09Å; E399-N420 PolarHBondContact O-ND2 2.92Å; E399-N420 WeakPolarHBondContact OE2-CB 3.31Å; E399-N420 PolarHBondContact OE2-ND2 2.64Å |
| 400 | L | 84.2 | Confident | 86.1 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -80.3 | -37.1 | 174.8 | -167.6 | 141 | 0 | 0 | 0 | 113.5 | V187 Y196 L200 H398 V404 | V187-L400 HydrophobicContact CB-CD1 4.04Å; V187-L400 HydrophobicContact CG1-CD1 3.78Å; V187-L400 HydrophobicContact CG2-CD1 4.42Å; Y196-L400 HydrophobicContact CE1-CD2 4.3Å; Y196-L400 WeakPolarHBondContact OH-CD1 3.21Å; Y196-L400 WeakPolarHBondContact OH-CD2 3.18Å; L200-L400 HydrophobicContact CD1-CD2 4.2Å; L200-L400 HydrophobicContact CD2-CD2 4.1Å; H398-L400 PolarHBondContact O-N 3.37Å; L400-V404 HydrophobicContact CD2-CG2 4.46Å; L400-V404 VanDerWaalsContact O-CG2 3.26Å; L400-V404 WeakPolarHBondContact O-CG2 3.2Å; L400-V404 PolarHBondContact O-N 3.14Å |
| 401 | G | 82.6 | Confident | 85.6 | Confident | 28 Ų | 28 | 28.5 Ų | 28.5 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.1 | -52 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | P397 H398 F403 V404 I405 | P397-G401 PolarHBondContact O-N 3.26Å; H398-G401 WeakPolarHBondContact O-CA 3.46Å; H398-G401 PolarHBondContact O-N 3.11Å; G401-F403 PolarHBondContact O-N 3.21Å; G401-V404 WeakPolarHBondContact O-CA 3.47Å; G401-V404 WeakPolarHBondContact O-CB 3.31Å; G401-V404 PolarHBondContact O-N 3.49Å; G401-I405 WeakPolarHBondContact O-CG1 3.46Å; G401-I405 PolarHBondContact O-N 3.06Å |
| 402 | D | 84.1 | Confident | 85.3 | Confident | 19 Ų | 19 | 31 Ų | 31 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 180 | -72.1 | -49.6 | 0 | 0 | 0 | 112.1 | I358 H365 H398 V404 I405 L406 | I358-D402 HydrophobicContact CG2-CB 4.28Å; I358-D402 WeakPolarHBondContact CG2-OD1 3.47Å; H365-D402 IonicContact NE2-OD2 2.62Å; H398-D402 IonicContact ND1-OD2 3.89Å; H398-D402 PolarHBondContact O-N 3.39Å; D402-V404 PolarHBondContact O-N 2.86Å; D402-I405 PolarHBondContact O-N 3.19Å; D402-I405 VanDerWaalsContact O-N 3.1Å; D402-L406 WeakPolarHBondContact O-CB 3.4Å; D402-L406 VanDerWaalsContact O-CG 3.26Å; D402-L406 WeakPolarHBondContact O-CG 3.47Å; D402-L406 PolarHBondContact O-N 3.04Å |
| 403 | F | 85.2 | Confident | 84.9 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.7 | -39.5 | 171.9 | 174.8 | -94.7 | 0 | 0 | 0 | 112.6 | V188 E399 G401 L407 I413 A416 L417 | V188-F403 HydrophobicContact CG2-CD1 4.43Å; V188-F403 HydrophobicContact CG2-CE1 3.42Å; V188-F403 VanDerWaalsContact CG2-CE1 3.42Å; V188-F403 HydrophobicContact CG2-CZ 3.85Å; E399-F403 WeakPolarHBondContact O-CB 3.44Å; E399-F403 PolarHBondContact O-N 3.06Å; E399-F403 VanDerWaalsContact O-N 3.09Å; G401-F403 PolarHBondContact O-N 3.21Å; F403-L407 HydrophobicContact CD1-CD1 4.26Å; F403-L407 HydrophobicContact CE1-CD1 3.44Å; F403-L407 VanDerWaalsContact CE1-CD1 3.44Å; F403-L407 HydrophobicContact CE1-CG 4.08Å; F403-L407 HydrophobicContact CE2-CG 4.45Å; F403-L407 HydrophobicContact CZ-CD1 3.61Å; F403-L407 HydrophobicContact CZ-CD2 4.34Å; F403-L407 HydrophobicContact CZ-CG 4Å; F403-L407 WeakPolarHBondContact O-CG 3.45Å; F403-L407 PolarHBondContact O-N 3.08Å; F403-L407 VanDerWaalsContact O-N 3.16Å; F403-I413 HydrophobicContact CE2-CG2 4.34Å; F403-I413 HydrophobicContact CZ-CG1 4.46Å; F403-I413 HydrophobicContact CZ-CG2 4.17Å; F403-A416 HydrophobicContact CD2-CB 3.72Å; F403-A416 HydrophobicContact CE2-CB 3.71Å; F403-L417 HydrophobicContact CD2-CD2 3.81Å; F403-L417 HydrophobicContact CD2-CG 4.27Å; F403-L417 HydrophobicContact CE2-CD2 3.69Å; F403-L417 HydrophobicContact CE2-CG 3.8Å |
| 404 | V | 81.7 | Confident | 84.6 | Confident | 37 Ų | 37 | 36.8 Ų | 36.8 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.9 | -39.1 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | M191 L400 G401 D402 L407 N408 | M191-V404 HydrophobicContact CE-CG2 3.35Å; M191-V404 HydrophobicContact SD-CG2 4.07Å; L400-V404 HydrophobicContact CD2-CG2 4.46Å; L400-V404 VanDerWaalsContact O-CG2 3.26Å; L400-V404 WeakPolarHBondContact O-CG2 3.2Å; L400-V404 PolarHBondContact O-N 3.14Å; G401-V404 WeakPolarHBondContact O-CA 3.47Å; G401-V404 WeakPolarHBondContact O-CB 3.31Å; G401-V404 PolarHBondContact O-N 3.49Å; D402-V404 PolarHBondContact O-N 2.86Å; V404-L407 PolarHBondContact O-N 3.4Å; V404-N408 WeakPolarHBondContact O-CB 3.34Å; V404-N408 VanDerWaalsContact O-CG 3.25Å; V404-N408 PolarHBondContact O-N 2.86Å; V404-N408 PolarHBondContact O-ND2 3.06Å |
| 405 | I | 82 | Confident | 84.3 | Confident | 71 Ų | 71 | 38 Ų | 38 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67 | -42.1 | 177.7 | -61.9 | 162.3 | 0 | 0 | 0 | 110.6 | I358 G401 D402 L407 N408 A409 | I358-I405 HydrophobicContact CD1-CB 4.43Å; I358-I405 HydrophobicContact CD1-CG2 3.48Å; I358-I405 VanDerWaalsContact CD1-CG2 3.48Å; G401-I405 WeakPolarHBondContact O-CG1 3.46Å; G401-I405 PolarHBondContact O-N 3.06Å; D402-I405 PolarHBondContact O-N 3.19Å; D402-I405 VanDerWaalsContact O-N 3.1Å; I405-L407 PolarHBondContact O-N 2.8Å; I405-N408 CarbonylContact O-C 3.58Å; I405-N408 PolarHBondContact O-N 3.36Å; I405-N408 VanDerWaalsContact O-N 3.16Å; I405-A409 WeakPolarHBondContact O-CB 3.11Å; I405-A409 PolarHBondContact O-N 3.49Å |
| 406 | L | 82.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 175.8 | -65.1 | 173.2 | 0 | 0 | 0 | 111.9 | A355 D402 A409 M411 A416 F419 | A355-L406 HydrophobicContact CB-CD2 3.83Å; D402-L406 WeakPolarHBondContact O-CB 3.4Å; D402-L406 VanDerWaalsContact O-CG 3.26Å; D402-L406 WeakPolarHBondContact O-CG 3.47Å; D402-L406 PolarHBondContact O-N 3.04Å; L406-A409 PolarHBondContact O-N 3.12Å; L406-M411 HydrophobicContact CB-SD 4Å; L406-M411 HydrophobicContact CD2-CE 4.32Å; L406-M411 HydrophobicContact CD2-SD 3.68Å; L406-M411 HydrophobicContact CG-SD 4.37Å; L406-M411 VanDerWaalsContact O-CB 3.31Å; L406-M411 WeakPolarHBondContact O-CB 3.28Å; L406-M411 PolarHBondContact O-N 3.13Å; L406-A416 HydrophobicContact CB-CB 3.94Å; L406-A416 HydrophobicContact CD1-CB 4.43Å; L406-F419 HydrophobicContact CD1-CB 4.24Å |
| 407 | L | 83.6 | Confident | 83.9 | Confident | 50 Ų | 50 | 37.7 Ų | 37.7 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 171.1 | -74.4 | -173.1 | 0 | 0 | 0 | 112.4 | F403 V404 I405 A409 G410 M411 I413 A416 | F403-L407 HydrophobicContact CD1-CD1 4.26Å; F403-L407 HydrophobicContact CE1-CD1 3.44Å; F403-L407 VanDerWaalsContact CE1-CD1 3.44Å; F403-L407 HydrophobicContact CE1-CG 4.08Å; F403-L407 HydrophobicContact CE2-CG 4.45Å; F403-L407 HydrophobicContact CZ-CD1 3.61Å; F403-L407 HydrophobicContact CZ-CD2 4.34Å; F403-L407 HydrophobicContact CZ-CG 4Å; F403-L407 WeakPolarHBondContact O-CG 3.45Å; F403-L407 PolarHBondContact O-N 3.08Å; F403-L407 VanDerWaalsContact O-N 3.16Å; V404-L407 PolarHBondContact O-N 3.4Å; I405-L407 PolarHBondContact O-N 2.8Å; L407-A409 VanDerWaalsContact C-N 3.27Å; L407-A409 PolarHBondContact O-N 2.87Å; L407-G410 PolarHBondContact O-N 3.19Å; L407-M411 WeakPolarHBondContact CD2-O 3.49Å; L407-I413 HydrophobicContact CD1-CG1 4.46Å; L407-I413 HydrophobicContact CD2-CB 4.48Å; L407-I413 HydrophobicContact CD2-CG1 3.81Å; L407-A416 HydrophobicContact CD2-CB 4.31Å |
| 408 | N | 81.3 | Confident | 83.9 | Confident | 133 Ų | 133 | 42.6 Ų | 42.6 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.4 | -27.7 | 177.9 | -71.3 | -26.2 | 0 | 0 | 0 | 112.4 | V404 I405 G410 | V404-N408 WeakPolarHBondContact O-CB 3.34Å; V404-N408 VanDerWaalsContact O-CG 3.25Å; V404-N408 PolarHBondContact O-N 2.86Å; V404-N408 PolarHBondContact O-ND2 3.06Å; I405-N408 CarbonylContact O-C 3.58Å; I405-N408 PolarHBondContact O-N 3.36Å; I405-N408 VanDerWaalsContact O-N 3.16Å; N408-G410 PolarHBondContact O-N 3.39Å |
| 409 | A | 80.4 | Confident | 83.9 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 3.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I405 L406 L407 | I405-A409 WeakPolarHBondContact O-CB 3.11Å; I405-A409 PolarHBondContact O-N 3.49Å; L406-A409 PolarHBondContact O-N 3.12Å; L407-A409 VanDerWaalsContact C-N 3.27Å; L407-A409 PolarHBondContact O-N 2.87Å |
| 410 | G | 81.4 | Confident | 83.9 | Confident | 58 Ų | 58 | 42.4 Ų | 42.4 | 60% | 0.598 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 8.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L407 N408 | L407-G410 PolarHBondContact O-N 3.19Å; N408-G410 PolarHBondContact O-N 3.39Å |
| 411 | M | 83.6 | Confident | 83.9 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | trans | -75.4 | 145.4 | 176 | -61.8 | 170 | 62.3 | 0 | 0 | 110.7 | I351 A355 L406 L407 Q415 F419 | I351-M411 HydrophobicContact CG2-CG 3.91Å; I351-M411 HydrophobicContact CG2-SD 4.11Å; A355-M411 HydrophobicContact CB-SD 3.88Å; L406-M411 HydrophobicContact CB-SD 4Å; L406-M411 HydrophobicContact CD2-CE 4.32Å; L406-M411 HydrophobicContact CD2-SD 3.68Å; L406-M411 HydrophobicContact CG-SD 4.37Å; L406-M411 VanDerWaalsContact O-CB 3.31Å; L406-M411 WeakPolarHBondContact O-CB 3.28Å; L406-M411 PolarHBondContact O-N 3.13Å; L407-M411 WeakPolarHBondContact CD2-O 3.49Å; M411-Q415 HydrophobicContact CB-CB 4.17Å; M411-Q415 HydrophobicContact CE-CB 4.01Å; M411-F419 HydrophobicContact CE-CB 4.33Å; M411-F419 HydrophobicContact CE-CD2 3.35Å; M411-F419 HydrophobicContact CE-CE2 3.72Å; M411-F419 HydrophobicContact CE-CG 3.89Å | ||
| 412 | S | 86.9 | Confident | 84.2 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | trans | -70.4 | 156.5 | 171.6 | 68.4 | 0 | 0 | 0 | 0 | 111.3 | Q414 Q415 A416 | S412-Q414 PolarHBondContact O-N 3.16Å; S412-Q414 VanDerWaalsContact O-N 3.12Å; S412-Q415 WeakPolarHBondContact O-CA 3.06Å; S412-Q415 WeakPolarHBondContact O-CB 3.5Å; S412-Q415 PolarHBondContact O-N 2.87Å; S412-Q415 WeakPolarHBondContact OG-CG 3.29Å; S412-Q415 PolarHBondContact OG-N 3.1Å; S412-Q415 PolarHBondContact OG-OE1 3.41Å; S412-A416 PolarHBondContact O-N 3.14Å | ||
| 413 | I | 85.4 | Confident | 84.4 | Confident | 88 Ų | 88 | 48.5 Ų | 48.5 | 45% | 0.451 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -51.2 | -38.6 | 176.6 | -64.1 | 167.8 | 0 | 0 | 0 | 111.8 | F403 L407 L417 | F403-I413 HydrophobicContact CE2-CG2 4.34Å; F403-I413 HydrophobicContact CZ-CG1 4.46Å; F403-I413 HydrophobicContact CZ-CG2 4.17Å; L407-I413 HydrophobicContact CD1-CG1 4.46Å; L407-I413 HydrophobicContact CD2-CB 4.48Å; L407-I413 HydrophobicContact CD2-CG1 3.81Å; I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 HydrophobicContact CG2-CG 4.4Å; I413-L417 WeakPolarHBondContact O-CB 3.1Å; I413-L417 VanDerWaalsContact O-CG 3.24Å; I413-L417 WeakPolarHBondContact O-CG 3.22Å; I413-L417 PolarHBondContact O-N 3.01Å; I413-L417 VanDerWaalsContact O-N 3.07Å |
| 414 | Q | 85.7 | Confident | 84.6 | Confident | 111 Ų | 111 | 48.4 Ų | 48.4 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.7 | -31.9 | 178.9 | -66.2 | 178.6 | -6.2 | 0 | 0 | 112.9 | W342 S412 F418 | W342-Q414 HydrophobicContact CE3-CB 4.45Å; W342-Q414 HydrophobicContact CE3-CG 4.25Å; W342-Q414 HydrophobicContact CZ3-CG 4.18Å; S412-Q414 PolarHBondContact O-N 3.16Å; S412-Q414 VanDerWaalsContact O-N 3.12Å; Q414-F418 WeakPolarHBondContact O-CB 3.1Å; Q414-F418 PolarHBondContact O-N 3.23Å |
| 415 | Q | 85.6 | Confident | 84.9 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.4 | -50.9 | 173.1 | -71.6 | 162.1 | -66.7 | 0 | 0 | 110.3 | M411 S412 L417 F418 F419 | M411-Q415 HydrophobicContact CB-CB 4.17Å; M411-Q415 HydrophobicContact CE-CB 4.01Å; S412-Q415 WeakPolarHBondContact O-CA 3.06Å; S412-Q415 WeakPolarHBondContact O-CB 3.5Å; S412-Q415 PolarHBondContact O-N 2.87Å; S412-Q415 WeakPolarHBondContact OG-CG 3.29Å; S412-Q415 PolarHBondContact OG-N 3.1Å; S412-Q415 PolarHBondContact OG-OE1 3.41Å; Q415-L417 VanDerWaalsContact C-N 3.35Å; Q415-L417 PolarHBondContact O-N 3Å; Q415-F418 WeakPolarHBondContact O-CB 3.32Å; Q415-F418 PolarHBondContact O-N 3.42Å; Q415-F419 WeakPolarHBondContact O-CD2 3.23Å; Q415-F419 PolarHBondContact O-N 3.33Å |
| 416 | A | 84.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.4 | -50.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F403 L406 L407 S412 F418 F419 N420 | F403-A416 HydrophobicContact CD2-CB 3.72Å; F403-A416 HydrophobicContact CE2-CB 3.71Å; L406-A416 HydrophobicContact CB-CB 3.94Å; L406-A416 HydrophobicContact CD1-CB 4.43Å; L407-A416 HydrophobicContact CD2-CB 4.31Å; S412-A416 PolarHBondContact O-N 3.14Å; A416-F418 VanDerWaalsContact C-N 3.29Å; A416-F418 PolarHBondContact O-N 3.11Å; A416-F419 PolarHBondContact O-N 3.5Å; A416-F419 VanDerWaalsContact O-N 3.1Å; A416-N420 PolarHBondContact O-N 3.04Å; A416-N420 PolarHBondContact O-OD1 3.16Å; A416-N420 VanDerWaalsContact O-OD1 3.13Å |
| 417 | L | 83.9 | Confident | 86.1 | Confident | 37 Ų | 37 | 47 Ų | 47 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -30.8 | 176.6 | -65.4 | 171.6 | 0 | 0 | 0 | 114.1 | A185 F403 I413 Q415 F421 | A185-L417 HydrophobicContact CB-CD1 3.61Å; A185-L417 HydrophobicContact CB-CD2 3.77Å; A185-L417 HydrophobicContact CB-CG 4.31Å; F403-L417 HydrophobicContact CD2-CD2 3.81Å; F403-L417 HydrophobicContact CD2-CG 4.27Å; F403-L417 HydrophobicContact CE2-CD2 3.69Å; F403-L417 HydrophobicContact CE2-CG 3.8Å; I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 HydrophobicContact CG2-CG 4.4Å; I413-L417 WeakPolarHBondContact O-CB 3.1Å; I413-L417 VanDerWaalsContact O-CG 3.24Å; I413-L417 WeakPolarHBondContact O-CG 3.22Å; I413-L417 PolarHBondContact O-N 3.01Å; I413-L417 VanDerWaalsContact O-N 3.07Å; Q415-L417 VanDerWaalsContact C-N 3.35Å; Q415-L417 PolarHBondContact O-N 3Å; L417-F421 WeakPolarHBondContact O-CB 3.44Å; L417-F421 PolarHBondContact O-N 3.46Å |
| 418 | F | 85.8 | Confident | 86.7 | Confident | 108 Ų | 108 | 48 Ų | 48 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.3 | -37.2 | 174.7 | 175.4 | -95.6 | 0 | 0 | 0 | 111.7 | Q414 Q415 A416 L422 | Q414-F418 WeakPolarHBondContact O-CB 3.1Å; Q414-F418 PolarHBondContact O-N 3.23Å; Q415-F418 WeakPolarHBondContact O-CB 3.32Å; Q415-F418 PolarHBondContact O-N 3.42Å; A416-F418 VanDerWaalsContact C-N 3.29Å; A416-F418 PolarHBondContact O-N 3.11Å; F418-L422 HydrophobicContact CE1-CD2 4.26Å; F418-L422 VanDerWaalsContact O-CB 3.22Å; F418-L422 WeakPolarHBondContact O-CB 3.18Å; F418-L422 PolarHBondContact O-N 2.97Å |
| 419 | F | 85.6 | Confident | 87.4 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.8 | -46.6 | 178.1 | -83.6 | -93.2 | 0 | 0 | 0 | 111.9 | Y348 W356 T359 L406 M411 Q415 A416 F421 L422 S423 | Y348-F419 HydrophobicContact CE1-CZ 4.33Å; Y348-F419 WeakPolarHBondContact OH-CZ 3.42Å; W356-F419 HydrophobicContact CE3-CE1 4.2Å; W356-F419 AromaticContact CH2-CE1 3.84Å; W356-F419 HydrophobicContact CH2-CE1 3.84Å; W356-F419 HydrophobicContact CH2-CZ 4.18Å; W356-F419 HydrophobicContact CZ2-CE1 4.21Å; W356-F419 HydrophobicContact CZ2-CZ 4.24Å; W356-F419 AromaticContact CZ3-CE1 3.83Å; W356-F419 HydrophobicContact CZ3-CE1 3.83Å; T359-F419 HydrophobicContact CG2-CB 4.22Å; T359-F419 HydrophobicContact CG2-CD1 3.72Å; T359-F419 HydrophobicContact CG2-CG 4.48Å; L406-F419 HydrophobicContact CD1-CB 4.24Å; M411-F419 HydrophobicContact CE-CB 4.33Å; M411-F419 HydrophobicContact CE-CD2 3.35Å; M411-F419 HydrophobicContact CE-CE2 3.72Å; M411-F419 HydrophobicContact CE-CG 3.89Å; Q415-F419 WeakPolarHBondContact O-CD2 3.23Å; Q415-F419 PolarHBondContact O-N 3.33Å; A416-F419 PolarHBondContact O-N 3.5Å; A416-F419 VanDerWaalsContact O-N 3.1Å; F419-F421 PolarHBondContact O-N 3.44Å; F419-L422 PolarHBondContact O-N 3.3Å; F419-S423 PolarHBondContact O-N 3.43Å |
| 420 | N | 84.7 | Confident | 88.2 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -49.5 | -55.3 | 167.8 | -83.3 | 80.7 | 0 | 0 | 0 | 111.1 | E399 A416 L422 S423 A424 | E399-N420 PolarHBondContact O-ND2 2.92Å; E399-N420 WeakPolarHBondContact OE2-CB 3.31Å; E399-N420 PolarHBondContact OE2-ND2 2.64Å; A416-N420 PolarHBondContact O-N 3.04Å; A416-N420 PolarHBondContact O-OD1 3.16Å; A416-N420 VanDerWaalsContact O-OD1 3.13Å; N420-L422 VanDerWaalsContact C-N 3.27Å; N420-L422 PolarHBondContact O-N 2.89Å; N420-S423 WeakPolarHBondContact O-CA 3.31Å; N420-S423 WeakPolarHBondContact O-CB 3.32Å; N420-S423 PolarHBondContact O-N 3.39Å; N420-A424 PolarHBondContact O-N 3.19Å |
| 421 | F | 85.6 | Confident | 88.9 | Confident | 91 Ų | 91 | 42 Ų | 42 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.5 | -32.3 | -177.8 | -178.6 | -100.6 | 0 | 0 | 0 | 113.2 | L182 L417 F419 C425 | L182-F421 HydrophobicContact CD1-CD2 4.42Å; L182-F421 HydrophobicContact CD2-CB 4.39Å; L182-F421 HydrophobicContact CD2-CD2 4.12Å; L417-F421 WeakPolarHBondContact O-CB 3.44Å; L417-F421 PolarHBondContact O-N 3.46Å; F419-F421 PolarHBondContact O-N 3.44Å; F421-C425 PolarHBondContact O-N 2.83Å; F421-C425 VanDerWaalsContact O-N 3.12Å; F421-C425 PolarHBondContact O-SG 2.85Å |
| 422 | L | 87.2 | Confident | 89.5 | Confident | 86 Ų | 86 | 42.3 Ų | 42.3 | 45% | 0.45 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.9 | -35.4 | 173.8 | -177.5 | 62.2 | 0 | 0 | 0 | 112 | F418 F419 N420 C425 | F418-L422 HydrophobicContact CE1-CD2 4.26Å; F418-L422 VanDerWaalsContact O-CB 3.22Å; F418-L422 WeakPolarHBondContact O-CB 3.18Å; F418-L422 PolarHBondContact O-N 2.97Å; F419-L422 PolarHBondContact O-N 3.3Å; N420-L422 VanDerWaalsContact C-N 3.27Å; N420-L422 PolarHBondContact O-N 2.89Å; L422-C425 WeakPolarHBondContact O-CB 3.34Å |
| 423 | S | 89.3 | Confident | 89.9 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -53.4 | 170.3 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | D362 G363 F419 N420 C425 C426 | D362-S423 WeakPolarHBondContact OD1-CB 3.45Å; D362-S423 PolarHBondContact OD1-OG 2.73Å; D362-S423 WeakPolarHBondContact OD2-CB 3.34Å; D362-S423 PolarHBondContact OD2-OG 2.97Å; G363-S423 WeakPolarHBondContact CA-OG 3.39Å; G363-S423 PolarHBondContact N-OG 2.85Å; F419-S423 PolarHBondContact O-N 3.43Å; N420-S423 WeakPolarHBondContact O-CA 3.31Å; N420-S423 WeakPolarHBondContact O-CB 3.32Å; N420-S423 PolarHBondContact O-N 3.39Å; S423-C425 PolarHBondContact O-N 3.17Å; S423-C426 WeakPolarHBondContact O-CA 3.46Å; S423-C426 WeakPolarHBondContact O-CB 3.15Å; S423-C426 PolarHBondContact O-N 3.23Å |
| 424 | A | 88.5 | Confident | 90.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.7 | -26 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N366 N420 C426 C427 | N366-A424 WeakPolarHBondContact OD1-CA 3.28Å; N420-A424 PolarHBondContact O-N 3.19Å; A424-C426 VanDerWaalsContact C-N 3.3Å; A424-C426 PolarHBondContact O-N 3.49Å; A424-C427 WeakPolarHBondContact O-CB 3.38Å; A424-C427 PolarHBondContact O-N 2.7Å |
| 425 | C | 89.6 | Confident | 90.7 | Very high | 42 Ų | 42 | 36.6 Ų | 36.6 | 28% | 0.284 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.7 | -26.2 | 172.2 | -74.5 | 0 | 0 | 0 | 0 | 114 | F421 L422 S423 C427 Y428 | F421-C425 PolarHBondContact O-N 2.83Å; F421-C425 VanDerWaalsContact O-N 3.12Å; F421-C425 PolarHBondContact O-SG 2.85Å; L422-C425 WeakPolarHBondContact O-CB 3.34Å; S423-C425 PolarHBondContact O-N 3.17Å; C425-C427 PolarHBondContact O-N 3.38Å; C425-Y428 PolarHBondContact O-N 3.21Å |
| 426 | C | 94.1 | Very high | 91 | Very high | 37 Ų | 37 | 40.5 Ų | 40.5 | 25% | 0.25 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -27.8 | 172.4 | -75.1 | 0 | 0 | 0 | 0 | 112.6 | G363 F367 S423 A424 Y428 L429 G430 | G363-C426 VanDerWaalsContact O-CB 3.23Å; G363-C426 WeakPolarHBondContact O-CB 3.39Å; F367-C426 HydrophobicContact CB-CB 4.24Å; S423-C426 WeakPolarHBondContact O-CA 3.46Å; S423-C426 WeakPolarHBondContact O-CB 3.15Å; S423-C426 PolarHBondContact O-N 3.23Å; A424-C426 VanDerWaalsContact C-N 3.3Å; A424-C426 PolarHBondContact O-N 3.49Å; C426-Y428 VanDerWaalsContact C-N 3.32Å; C426-Y428 PolarHBondContact O-N 3.2Å; C426-L429 WeakPolarHBondContact O-CB 3.49Å; C426-L429 PolarHBondContact O-N 3.36Å; C426-L429 VanDerWaalsContact O-N 3.09Å; C426-G430 PolarHBondContact O-N 3.49Å |
| 427 | C | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 175.7 | -169.5 | 0 | 0 | 0 | 0 | 112.7 | V174 N366 G370 A424 C425 L429 G430 M431 | V174-C427 HydrophobicContact CG1-CB 4.02Å; N366-C427 HydrophobicContact CB-CB 4.45Å; N366-C427 WeakPolarHBondContact O-CA 3.47Å; N366-C427 WeakPolarHBondContact O-CB 3.35Å; N366-C427 WeakPolarHBondContact OD1-CB 3.35Å; G370-C427 WeakPolarHBondContact CA-O 3.36Å; G370-C427 WeakPolarHBondContact CA-SG 3.17Å; G370-C427 PolarHBondContact N-SG 3.46Å; A424-C427 WeakPolarHBondContact O-CB 3.38Å; A424-C427 PolarHBondContact O-N 2.7Å; C425-C427 PolarHBondContact O-N 3.38Å; C427-L429 VanDerWaalsContact C-N 3.35Å; C427-L429 PolarHBondContact O-N 3.13Å; C427-G430 PolarHBondContact O-N 3Å; C427-M431 WeakPolarHBondContact O-CB 3.5Å; C427-M431 PolarHBondContact O-N 2.94Å |
| 428 | Y | 95.9 | Very high | 91.2 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 29% | 0.286 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.6 | -36.9 | 172.1 | -66.8 | -96.8 | 0 | 0 | 0 | 112.6 | L171 V174 T175 S178 C425 C426 G432 | L171-Y428 HydrophobicContact CD2-CD1 3.96Å; L171-Y428 HydrophobicContact CD2-CE1 4.29Å; V174-Y428 HydrophobicContact CB-CE1 4.44Å; V174-Y428 HydrophobicContact CG1-CD1 3.85Å; V174-Y428 HydrophobicContact CG1-CD2 3.64Å; V174-Y428 HydrophobicContact CG1-CE1 3.86Å; V174-Y428 HydrophobicContact CG1-CE2 3.65Å; V174-Y428 HydrophobicContact CG1-CG 3.75Å; T175-Y428 WeakPolarHBondContact CA-OH 3.46Å; T175-Y428 PolarHBondContact OG1-OH 3.04Å; S178-Y428 WeakPolarHBondContact OG-CE2 3.21Å; C425-Y428 PolarHBondContact O-N 3.21Å; C426-Y428 VanDerWaalsContact C-N 3.32Å; C426-Y428 PolarHBondContact O-N 3.2Å; Y428-G432 PolarHBondContact O-N 3.2Å |
| 429 | L | 96.2 | Very high | 91 | Very high | 107 Ų | 107 | 38.2 Ų | 38.2 | 56% | 0.56 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -68.7 | -43.4 | 176 | -59.4 | 179.2 | 0 | 0 | 0 | 110.6 | F367 C426 C427 G432 F433 | F367-L429 HydrophobicContact CD2-CB 4.26Å; F367-L429 HydrophobicContact CE2-CB 4.34Å; C426-L429 WeakPolarHBondContact O-CB 3.49Å; C426-L429 PolarHBondContact O-N 3.36Å; C426-L429 VanDerWaalsContact O-N 3.09Å; C427-L429 VanDerWaalsContact C-N 3.35Å; C427-L429 PolarHBondContact O-N 3.13Å; L429-G432 PolarHBondContact O-N 2.89Å; L429-F433 WeakPolarHBondContact O-CD2 3.35Å; L429-F433 PolarHBondContact O-N 3.22Å |
| 430 | G | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.4 | -53.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F367 L371 C426 C427 G432 F433 G434 | F367-G430 WeakPolarHBondContact O-CA 3.4Å; L371-G430 WeakPolarHBondContact CA-O 3.46Å; L371-G430 VanDerWaalsContact N-C 3.29Å; L371-G430 PolarHBondContact N-O 2.67Å; C426-G430 PolarHBondContact O-N 3.49Å; C427-G430 PolarHBondContact O-N 3Å; G430-G432 PolarHBondContact O-N 2.82Å; G430-F433 CarbonylContact O-C 3.41Å; G430-F433 PolarHBondContact O-N 3.36Å; G430-F433 VanDerWaalsContact O-N 3.13Å; G430-G434 PolarHBondContact O-N 3.19Å |
| 431 | M | 97.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 179 | -178.7 | -133.5 | 64.2 | 0 | 0 | 112.2 | W167 L171 V174 G370 I373 C427 F433 G434 I435 | W167-M431 HydrophobicContact CE3-CE 3.75Å; W167-M431 HydrophobicContact CZ3-CE 3.52Å; L171-M431 HydrophobicContact CD2-CE 3.75Å; L171-M431 HydrophobicContact CD2-SD 4.02Å; L171-M431 HydrophobicContact CG-CE 4.1Å; L171-M431 HydrophobicContact CG-SD 4.1Å; L171-M431 PolarHBondContact N-SD 2.89Å; V174-M431 HydrophobicContact CG2-CB 3.95Å; V174-M431 HydrophobicContact CG2-CG 4.03Å; V174-M431 HydrophobicContact CG2-SD 4.1Å; G370-M431 WeakPolarHBondContact O-CA 3.49Å; G370-M431 PolarHBondContact O-N 3.47Å; I373-M431 HydrophobicContact CG2-CG 4.46Å; C427-M431 WeakPolarHBondContact O-CB 3.5Å; C427-M431 PolarHBondContact O-N 2.94Å; M431-F433 PolarHBondContact O-N 3.37Å; M431-G434 PolarHBondContact O-N 3.5Å; M431-I435 HydrophobicContact CE-CD1 4.05Å; M431-I435 HydrophobicContact CG-CD1 4.06Å; M431-I435 WeakPolarHBondContact O-CG1 3.49Å; M431-I435 PolarHBondContact O-N 3.3Å; M431-I435 HydrophobicContact SD-CD1 4.21Å |
| 432 | G | 95.6 | Very high | 89.9 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y428 L429 G430 L436 | Y428-G432 PolarHBondContact O-N 3.2Å; L429-G432 PolarHBondContact O-N 2.89Å; G430-G432 PolarHBondContact O-N 2.82Å; G432-L436 WeakPolarHBondContact O-CB 3.13Å; G432-L436 WeakPolarHBondContact O-CD1 3.33Å; G432-L436 VanDerWaalsContact O-CG 3.22Å; G432-L436 WeakPolarHBondContact O-CG 3.05Å; G432-L436 PolarHBondContact O-N 3.46Å |
| 433 | F | 94.9 | Very high | 89.7 | Confident | 133 Ų | 133 | 44.5 Ų | 44.5 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.9 | -39.6 | 173.7 | -95.2 | -88.7 | 0 | 0 | 0 | 112.8 | F367 L371 L429 G430 M431 L436 A437 | F367-F433 HydrophobicContact CE2-CD2 4.27Å; F367-F433 HydrophobicContact CZ-CB 4.3Å; F367-F433 HydrophobicContact CZ-CD2 4.4Å; F367-F433 HydrophobicContact CZ-CG 4.34Å; L371-F433 HydrophobicContact CD1-CB 3.77Å; L429-F433 WeakPolarHBondContact O-CD2 3.35Å; L429-F433 PolarHBondContact O-N 3.22Å; G430-F433 CarbonylContact O-C 3.41Å; G430-F433 PolarHBondContact O-N 3.36Å; G430-F433 VanDerWaalsContact O-N 3.13Å; M431-F433 PolarHBondContact O-N 3.37Å; F433-L436 PolarHBondContact O-N 2.99Å; F433-A437 WeakPolarHBondContact O-CB 3.17Å; F433-A437 PolarHBondContact O-N 3.31Å |
| 434 | G | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | G430 M431 G438 | G430-G434 PolarHBondContact O-N 3.19Å; M431-G434 PolarHBondContact O-N 3.5Å; G434-G438 PolarHBondContact O-N 3.42Å |
| 435 | I | 93.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.8 | -48.9 | 175.3 | -62.7 | 167.9 | 0 | 0 | 0 | 110.7 | V166 W167 T378 M431 A437 G438 N439 | V166-I435 HydrophobicContact CG1-CB 4.35Å; V166-I435 HydrophobicContact CG1-CD1 3.96Å; V166-I435 HydrophobicContact CG1-CG1 3.74Å; V166-I435 HydrophobicContact CG1-CG2 3.76Å; W167-I435 HydrophobicContact CD2-CD1 3.76Å; W167-I435 HydrophobicContact CE3-CD1 3.92Å; W167-I435 HydrophobicContact CG-CD1 4.13Å; W167-I435 HydrophobicContact CZ2-CB 4.33Å; W167-I435 HydrophobicContact CZ2-CD1 4.4Å; W167-I435 HydrophobicContact CZ2-CG2 4.14Å; W167-I435 HydrophobicContact CZ3-CD1 4.32Å; T378-I435 HydrophobicContact CG2-CB 4.3Å; T378-I435 HydrophobicContact CG2-CG2 4.02Å; M431-I435 HydrophobicContact CE-CD1 4.05Å; M431-I435 HydrophobicContact CG-CD1 4.06Å; M431-I435 WeakPolarHBondContact O-CG1 3.49Å; M431-I435 PolarHBondContact O-N 3.3Å; M431-I435 HydrophobicContact SD-CD1 4.21Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 2.85Å; I435-G438 PolarHBondContact O-N 3.37Å; I435-N439 WeakPolarHBondContact O-CB 3.39Å; I435-N439 PolarHBondContact O-N 3.46Å |
| 436 | L | 91.9 | Very high | 89.9 | Confident | 107 Ų | 107 | 55 Ų | 55 | 56% | 0.56 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.8 | -38.4 | -179.4 | -69.8 | 171.8 | 0 | 0 | 0 | 112.1 | G432 F433 S440 | G432-L436 WeakPolarHBondContact O-CB 3.13Å; G432-L436 WeakPolarHBondContact O-CD1 3.33Å; G432-L436 VanDerWaalsContact O-CG 3.22Å; G432-L436 WeakPolarHBondContact O-CG 3.05Å; G432-L436 PolarHBondContact O-N 3.46Å; F433-L436 PolarHBondContact O-N 2.99Å; L436-S440 VanDerWaalsContact O-CB 3.26Å; L436-S440 WeakPolarHBondContact O-CB 3.37Å; L436-S440 PolarHBondContact O-N 3.09Å; L436-S440 VanDerWaalsContact O-N 3.15Å; L436-S440 PolarHBondContact O-OG 3.41Å |
| 437 | A | 88.5 | Confident | 89.9 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 21% | 0.207 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -76 | -40.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F433 I435 N439 S440 F441 I446 | F433-A437 WeakPolarHBondContact O-CB 3.17Å; F433-A437 PolarHBondContact O-N 3.31Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 2.85Å; A437-N439 VanDerWaalsContact C-N 3.28Å; A437-N439 PolarHBondContact O-N 3.4Å; A437-S440 PolarHBondContact O-N 2.75Å; A437-F441 CarbonylContact O-C 3.6Å; A437-F441 WeakPolarHBondContact O-CA 3.41Å; A437-F441 WeakPolarHBondContact O-CB 3.22Å; A437-F441 PolarHBondContact O-N 3.13Å; A437-I446 HydrophobicContact CB-CD1 3.79Å |
| 438 | G | 83.8 | Confident | 89.8 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.9 | -19.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R160 G434 I435 F441 | R160-G438 PolarHBondContact NH2-O 2.84Å; G434-G438 PolarHBondContact O-N 3.42Å; I435-G438 PolarHBondContact O-N 3.37Å; G438-F441 CarbonylContact C-O 3.5Å |
| 439 | N | 81.8 | Confident | 89.7 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -88.6 | -24.5 | 168.5 | -82.3 | -3 | 0 | 0 | 0 | 113.5 | R160 D163 I435 A437 | R160-N439 PolarHBondContact NH2-OD1 2.86Å; D163-N439 PolarHBondContact OD1-ND2 3.23Å; I435-N439 WeakPolarHBondContact O-CB 3.39Å; I435-N439 PolarHBondContact O-N 3.46Å; A437-N439 VanDerWaalsContact C-N 3.28Å; A437-N439 PolarHBondContact O-N 3.4Å |
| 440 | S | 76.9 | Confident | 89.6 | Confident | 89 Ų | 89 | 51.5 Ų | 51.5 | 62% | 0.622 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -100.1 | -26 | -176.8 | -55.1 | 0 | 0 | 0 | 0 | 114.5 | L436 A437 | L436-S440 VanDerWaalsContact O-CB 3.26Å; L436-S440 WeakPolarHBondContact O-CB 3.37Å; L436-S440 PolarHBondContact O-N 3.09Å; L436-S440 VanDerWaalsContact O-N 3.15Å; L436-S440 PolarHBondContact O-OG 3.41Å; A437-S440 PolarHBondContact O-N 2.75Å |
| 441 | F | 75.6 | Confident | 89.6 | Confident | 156 Ų | 156 | 51.5 Ų | 51.5 | 68% | 0.684 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -132.9 | 171.3 | -179.5 | -58 | -81.3 | 0 | 0 | 0 | 108.9 | A437 G438 | A437-F441 CarbonylContact O-C 3.6Å; A437-F441 WeakPolarHBondContact O-CA 3.41Å; A437-F441 WeakPolarHBondContact O-CB 3.22Å; A437-F441 PolarHBondContact O-N 3.13Å; G438-F441 CarbonylContact C-O 3.5Å |
| 442 | S | 80.1 | Confident | 89.5 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | trans | -70.2 | 125.8 | 172.6 | 156.2 | 0 | 0 | 0 | 0 | 110 | N444 | S442-N444 PolarHBondContact O-N 2.8Å; S442-N444 VanDerWaalsContact OG-CB 3.29Å; S442-N444 WeakPolarHBondContact OG-CB 3.24Å; S442-N444 PolarHBondContact OG-N 3.08Å; S442-N444 PolarHBondContact OG-OD1 3.45Å | ||
| 443 | P | 84.3 | Confident | 89.4 | Confident | 19 Ų | 19 | 54 Ų | 54 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -15.2 | -178.8 | 28.9 | -35.9 | 0 | 0 | 0 | 112.8 | A375 W445 I446 F447 | A375-P443 HydrophobicContact CB-CB 4.11Å; P443-W445 PolarHBondContact O-N 3.43Å; P443-W445 VanDerWaalsContact O-N 3.11Å; P443-I446 WeakPolarHBondContact O-CA 3.39Å; P443-I446 WeakPolarHBondContact O-CB 3.47Å; P443-I446 PolarHBondContact O-N 3.33Å; P443-F447 HydrophobicContact CB-CD2 4.36Å; P443-F447 HydrophobicContact CB-CE2 3.73Å; P443-F447 HydrophobicContact CB-CZ 3.85Å; P443-F447 HydrophobicContact CG-CE2 3.89Å; P443-F447 HydrophobicContact CG-CZ 4.31Å; P443-F447 WeakPolarHBondContact O-CD2 3.3Å; P443-F447 PolarHBondContact O-N 3.41Å |
| 444 | N | 88.6 | Confident | 89.4 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -50.2 | -35.8 | 176.7 | -57.7 | 58.4 | 0 | 0 | 0 | 113.4 | E222 A223 S442 F447 A448 | E222-N444 PolarHBondContact O-ND2 2.86Å; A223-N444 WeakPolarHBondContact CB-O 3.37Å; A223-N444 PolarHBondContact O-ND2 2.97Å; S442-N444 PolarHBondContact O-N 2.8Å; S442-N444 VanDerWaalsContact OG-CB 3.29Å; S442-N444 WeakPolarHBondContact OG-CB 3.24Å; S442-N444 PolarHBondContact OG-N 3.08Å; S442-N444 PolarHBondContact OG-OD1 3.45Å; N444-F447 PolarHBondContact O-N 2.93Å; N444-A448 WeakPolarHBondContact O-CB 3.48Å; N444-A448 PolarHBondContact O-N 2.97Å |
| 445 | W | 90.2 | Very high | 89.4 | Confident | 206 Ų | 206 | 49.8 Ų | 49.8 | 78% | 0.78 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69.8 | -32.1 | 175.8 | -68.7 | 102.8 | 0 | 0 | 0 | 113.2 | P443 L449 | P443-W445 PolarHBondContact O-N 3.43Å; P443-W445 VanDerWaalsContact O-N 3.11Å; W445-L449 PolarHBondContact O-N 3.17Å |
| 446 | I | 92.6 | Very high | 89.4 | Confident | 16 Ų | 16 | 57.2 Ų | 57.2 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72 | -42.5 | 173.4 | -60.4 | 168.3 | 0 | 0 | 0 | 109.3 | L371 A375 A437 P443 A448 L449 A450 | L371-I446 HydrophobicContact CB-CG2 4.47Å; L371-I446 HydrophobicContact CD2-CG1 4.41Å; L371-I446 HydrophobicContact CD2-CG2 3.84Å; L371-I446 HydrophobicContact CG-CG1 4.49Å; L371-I446 HydrophobicContact CG-CG2 3.72Å; A375-I446 HydrophobicContact CB-CB 3.9Å; A375-I446 HydrophobicContact CB-CD1 3.8Å; A375-I446 HydrophobicContact CB-CG1 4.47Å; A375-I446 HydrophobicContact CB-CG2 3.61Å; A437-I446 HydrophobicContact CB-CD1 3.79Å; P443-I446 WeakPolarHBondContact O-CA 3.39Å; P443-I446 WeakPolarHBondContact O-CB 3.47Å; P443-I446 PolarHBondContact O-N 3.33Å; I446-A448 VanDerWaalsContact C-N 3.32Å; I446-A448 PolarHBondContact O-N 3.36Å; I446-L449 PolarHBondContact O-N 2.83Å; I446-A450 WeakPolarHBondContact O-CB 3.29Å; I446-A450 PolarHBondContact O-N 2.86Å |
| 447 | F | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 175.4 | -55.9 | -37.9 | 0 | 0 | 0 | 112.7 | L219 E222 A223 A375 S376 A379 Q383 P443 N444 G451 | L219-F447 HydrophobicContact CD2-CD1 3.95Å; L219-F447 WeakPolarHBondContact O-CB 3.19Å; E222-F447 HydrophobicContact CB-CD2 3.89Å; E222-F447 HydrophobicContact CB-CE2 4.35Å; E222-F447 HydrophobicContact CG-CD2 3.41Å; E222-F447 VanDerWaalsContact CG-CD2 3.41Å; E222-F447 HydrophobicContact CG-CE2 3.44Å; E222-F447 VanDerWaalsContact CG-CE2 3.44Å; E222-F447 HydrophobicContact CG-CG 4.42Å; E222-F447 HydrophobicContact CG-CZ 4.45Å; A223-F447 HydrophobicContact CB-CB 4.09Å; A375-F447 HydrophobicContact CB-CD1 4.31Å; A375-F447 HydrophobicContact CB-CE1 3.67Å; A375-F447 HydrophobicContact CB-CZ 4.16Å; S376-F447 WeakPolarHBondContact OG-CE1 3.46Å; A379-F447 HydrophobicContact CB-CE2 4.27Å; A379-F447 HydrophobicContact CB-CZ 3.98Å; Q383-F447 VanDerWaalsContact NE2-CZ 3.25Å; P443-F447 HydrophobicContact CB-CD2 4.36Å; P443-F447 HydrophobicContact CB-CE2 3.73Å; P443-F447 HydrophobicContact CB-CZ 3.85Å; P443-F447 HydrophobicContact CG-CE2 3.89Å; P443-F447 HydrophobicContact CG-CZ 4.31Å; P443-F447 WeakPolarHBondContact O-CD2 3.3Å; P443-F447 PolarHBondContact O-N 3.41Å; N444-F447 PolarHBondContact O-N 2.93Å; F447-G451 WeakPolarHBondContact O-CA 3.32Å; F447-G451 PolarHBondContact O-N 3.3Å |
| 448 | A | 94 | Very high | 89.7 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | A223 N444 I446 G452 | A223-A448 HydrophobicContact CB-CB 3.91Å; N444-A448 WeakPolarHBondContact O-CB 3.48Å; N444-A448 PolarHBondContact O-N 2.97Å; I446-A448 VanDerWaalsContact C-N 3.32Å; I446-A448 PolarHBondContact O-N 3.36Å; A448-G452 PolarHBondContact O-N 2.72Å; A448-G452 VanDerWaalsContact O-N 3.15Å |
| 449 | L | 93.9 | Very high | 90.2 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -51.3 | 178.3 | 178.9 | 64.2 | 0 | 0 | 0 | 111.5 | L371 W445 I446 G452 M453 | L371-L449 HydrophobicContact CD2-CD2 4.18Å; W445-L449 PolarHBondContact O-N 3.17Å; I446-L449 PolarHBondContact O-N 2.83Å; L449-G452 PolarHBondContact O-N 2.72Å; L449-M453 WeakPolarHBondContact O-CB 3.42Å; L449-M453 PolarHBondContact O-N 3.47Å |
| 450 | A | 94.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -43 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L219 A372 I446 G452 M453 F454 | L219-A450 HydrophobicContact CD1-CB 3.96Å; A372-A450 HydrophobicContact CB-CB 3.7Å; I446-A450 WeakPolarHBondContact O-CB 3.29Å; I446-A450 PolarHBondContact O-N 2.86Å; A450-G452 VanDerWaalsContact C-N 3.3Å; A450-G452 PolarHBondContact O-N 2.68Å; A450-M453 WeakPolarHBondContact O-CB 3.27Å; A450-M453 PolarHBondContact O-N 3.35Å; A450-M453 VanDerWaalsContact O-N 3.12Å; A450-F454 HydrophobicContact CB-CD1 4.48Å; A450-F454 HydrophobicContact CB-CE1 4.27Å; A450-F454 WeakPolarHBondContact O-CB 3.38Å; A450-F454 WeakPolarHBondContact O-CD1 3.29Å; A450-F454 WeakPolarHBondContact O-CG 3.37Å; A450-F454 PolarHBondContact O-N 2.9Å |
| 451 | G | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F447 L455 | F447-G451 WeakPolarHBondContact O-CA 3.32Å; F447-G451 PolarHBondContact O-N 3.3Å; G451-L455 WeakPolarHBondContact O-CG 3.44Å; G451-L455 PolarHBondContact O-N 2.95Å |
| 452 | G | 95.3 | Very high | 92.1 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.5 | -41 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A448 L449 A450 Y456 | A448-G452 PolarHBondContact O-N 2.72Å; A448-G452 VanDerWaalsContact O-N 3.15Å; L449-G452 PolarHBondContact O-N 2.72Å; A450-G452 VanDerWaalsContact C-N 3.3Å; A450-G452 PolarHBondContact O-N 2.68Å; G452-Y456 PolarHBondContact O-N 2.95Å |
| 453 | M | 93.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -48 | 177.2 | -172.6 | -71.2 | -115.5 | 0 | 0 | 111.4 | H365 I368 D369 L449 A450 L455 Y456 I457 | H365-M453 HydrophobicContact CB-CE 3.98Å; I368-M453 HydrophobicContact CB-CE 3.97Å; I368-M453 HydrophobicContact CD1-CG 4.12Å; I368-M453 HydrophobicContact CG2-CB 4.25Å; I368-M453 HydrophobicContact CG2-CE 3.92Å; I368-M453 HydrophobicContact CG2-CG 4.05Å; D369-M453 VanDerWaalsContact CG-CE 3.48Å; D369-M453 WeakPolarHBondContact OD1-CE 3.47Å; D369-M453 VanDerWaalsContact OD2-CE 3.23Å; D369-M453 WeakPolarHBondContact OD2-CE 3.21Å; L449-M453 WeakPolarHBondContact O-CB 3.42Å; L449-M453 PolarHBondContact O-N 3.47Å; A450-M453 WeakPolarHBondContact O-CB 3.27Å; A450-M453 PolarHBondContact O-N 3.35Å; A450-M453 VanDerWaalsContact O-N 3.12Å; M453-L455 VanDerWaalsContact C-N 3.31Å; M453-L455 PolarHBondContact O-N 3.48Å; M453-Y456 WeakPolarHBondContact O-CA 3.49Å; M453-Y456 VanDerWaalsContact O-CB 3.29Å; M453-Y456 WeakPolarHBondContact O-CB 3.19Å; M453-Y456 PolarHBondContact O-N 3.47Å; M453-I457 HydrophobicContact CE-CD1 3.83Å; M453-I457 PolarHBondContact O-N 2.92Å; M453-I457 HydrophobicContact SD-CD1 3.33Å; M453-I457 WeakPolarHBondContact SD-CD1 3.32Å; M453-I457 HydrophobicContact SD-CG1 3.72Å |
| 454 | F | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -35.8 | -178.3 | -78.4 | 37.5 | 0 | 0 | 0 | 111.7 | L211 N214 A215 L219 D369 A372 T387 I391 A450 Y456 A458 | L211-F454 HydrophobicContact CD2-CD2 3.77Å; L211-F454 HydrophobicContact CD2-CE2 4.02Å; L211-F454 HydrophobicContact CD2-CG 4.36Å; N214-F454 HydrophobicContact CB-CD2 4.32Å; N214-F454 WeakPolarHBondContact ND2-CE2 3.43Å; A215-F454 HydrophobicContact CB-CB 4.18Å; L219-F454 HydrophobicContact CD1-CD1 4.25Å; L219-F454 HydrophobicContact CD1-CD2 3.68Å; L219-F454 HydrophobicContact CD1-CE1 4.34Å; L219-F454 HydrophobicContact CD1-CE2 3.83Å; L219-F454 HydrophobicContact CD1-CG 3.91Å; L219-F454 HydrophobicContact CD1-CZ 4.14Å; D369-F454 WeakPolarHBondContact OD1-CE1 3.37Å; D369-F454 WeakPolarHBondContact OD1-CZ 3.48Å; A372-F454 HydrophobicContact CB-CE1 4.43Å; A372-F454 HydrophobicContact CB-CZ 4.33Å; T387-F454 HydrophobicContact CG2-CZ 4.47Å; I391-F454 HydrophobicContact CD1-CZ 3.92Å; I391-F454 HydrophobicContact CG1-CE2 4.01Å; I391-F454 HydrophobicContact CG1-CZ 3.59Å; A450-F454 HydrophobicContact CB-CD1 4.48Å; A450-F454 HydrophobicContact CB-CE1 4.27Å; A450-F454 WeakPolarHBondContact O-CB 3.38Å; A450-F454 WeakPolarHBondContact O-CD1 3.29Å; A450-F454 WeakPolarHBondContact O-CG 3.37Å; A450-F454 PolarHBondContact O-N 2.9Å; F454-Y456 VanDerWaalsContact C-N 3.32Å; F454-A458 WeakPolarHBondContact O-CB 3.39Å; F454-A458 PolarHBondContact O-N 3.11Å |
| 455 | L | 95.3 | Very high | 93 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 23% | 0.225 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 171 | -75.1 | 178.2 | 0 | 0 | 0 | 112.4 | Y212 A215 I220 G451 M453 L459 | Y212-L455 HydrophobicContact CD2-CD2 3.38Å; Y212-L455 HydrophobicContact CE2-CD2 3.75Å; Y212-L455 HydrophobicContact CG-CD2 4.09Å; A215-L455 HydrophobicContact CB-CD2 3.97Å; A215-L455 HydrophobicContact CB-CG 3.76Å; I220-L455 HydrophobicContact CD1-CD1 3.6Å; I220-L455 HydrophobicContact CD1-CG 4.37Å; G451-L455 WeakPolarHBondContact O-CG 3.44Å; G451-L455 PolarHBondContact O-N 2.95Å; M453-L455 VanDerWaalsContact C-N 3.31Å; M453-L455 PolarHBondContact O-N 3.48Å; L455-L459 VanDerWaalsContact O-CB 3.28Å; L455-L459 WeakPolarHBondContact O-CB 3.41Å; L455-L459 VanDerWaalsContact O-CG 3.29Å; L455-L459 WeakPolarHBondContact O-CG 3.37Å; L455-L459 PolarHBondContact O-N 3.43Å |
| 456 | Y | 94.6 | Very high | 93 | Very high | 158 Ų | 158 | 38.6 Ų | 38.6 | 62% | 0.62 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -68.5 | -54.3 | 175.9 | -178.5 | -88.6 | 0 | 0 | 0 | 111.2 | G452 M453 F454 A458 L459 A460 | G452-Y456 PolarHBondContact O-N 2.95Å; M453-Y456 WeakPolarHBondContact O-CA 3.49Å; M453-Y456 VanDerWaalsContact O-CB 3.29Å; M453-Y456 WeakPolarHBondContact O-CB 3.19Å; M453-Y456 PolarHBondContact O-N 3.47Å; F454-Y456 VanDerWaalsContact C-N 3.32Å; Y456-A458 VanDerWaalsContact C-N 3.34Å; Y456-A458 PolarHBondContact O-N 3.26Å; Y456-L459 PolarHBondContact O-N 3.34Å; Y456-A460 HydrophobicContact CD1-CB 4.49Å; Y456-A460 HydrophobicContact CD2-CB 3.92Å; Y456-A460 HydrophobicContact CE1-CB 4.35Å; Y456-A460 HydrophobicContact CE2-CB 3.78Å; Y456-A460 HydrophobicContact CG-CB 4.28Å; Y456-A460 WeakPolarHBondContact O-CA 3.3Å; Y456-A460 VanDerWaalsContact O-CB 3.26Å; Y456-A460 WeakPolarHBondContact O-CB 3.37Å; Y456-A460 PolarHBondContact O-N 2.99Å |
| 457 | I | 92 | Very high | 92.8 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -57.6 | -47.8 | 178.6 | -64.9 | -173.6 | 0 | 0 | 0 | 110.7 | L211 H365 M453 L459 D461 M462 | L211-I457 HydrophobicContact CD1-CB 4.46Å; L211-I457 HydrophobicContact CD1-CG2 3.99Å; H365-I457 HydrophobicContact CB-CD1 3.97Å; M453-I457 HydrophobicContact CE-CD1 3.83Å; M453-I457 PolarHBondContact O-N 2.92Å; M453-I457 HydrophobicContact SD-CD1 3.33Å; M453-I457 WeakPolarHBondContact SD-CD1 3.32Å; M453-I457 HydrophobicContact SD-CG1 3.72Å; I457-L459 VanDerWaalsContact C-N 3.34Å; I457-L459 PolarHBondContact O-N 3.23Å; I457-D461 WeakPolarHBondContact O-CB 3.5Å; I457-D461 PolarHBondContact O-N 3.34Å; I457-M462 HydrophobicContact CG2-CG 3.96Å; I457-M462 PolarHBondContact O-N 3.43Å |
| 458 | A | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -62.5 | -34.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I208 L211 F454 Y456 F463 | I208-A458 HydrophobicContact CG2-CB 4.48Å; L211-A458 HydrophobicContact CB-CB 3.9Å; L211-A458 HydrophobicContact CD1-CB 4.24Å; F454-A458 WeakPolarHBondContact O-CB 3.39Å; F454-A458 PolarHBondContact O-N 3.11Å; Y456-A458 VanDerWaalsContact C-N 3.34Å; Y456-A458 PolarHBondContact O-N 3.26Å; A458-F463 VanDerWaalsContact O-CB 3.23Å; A458-F463 WeakPolarHBondContact O-CB 3.49Å; A458-F463 PolarHBondContact O-N 3.17Å |
| 459 | L | 94.1 | Very high | 92 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 36% | 0.356 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -105.4 | -32.8 | -172.5 | -62.2 | 177.3 | 0 | 0 | 0 | 114.8 | Y212 F244 L455 Y456 I457 P464 | Y212-L459 HydrophobicContact CD2-CD1 4.05Å; Y212-L459 HydrophobicContact CD2-CD2 3.72Å; Y212-L459 HydrophobicContact CD2-CG 3.93Å; Y212-L459 HydrophobicContact CE2-CD1 3.92Å; Y212-L459 HydrophobicContact CE2-CD2 3.89Å; Y212-L459 HydrophobicContact CE2-CG 4.22Å; F244-L459 HydrophobicContact CD2-CD2 4.23Å; F244-L459 HydrophobicContact CE2-CD2 3.74Å; F244-L459 HydrophobicContact CZ-CD2 4.1Å; L455-L459 VanDerWaalsContact O-CB 3.28Å; L455-L459 WeakPolarHBondContact O-CB 3.41Å; L455-L459 VanDerWaalsContact O-CG 3.29Å; L455-L459 WeakPolarHBondContact O-CG 3.37Å; L455-L459 PolarHBondContact O-N 3.43Å; Y456-L459 PolarHBondContact O-N 3.34Å; I457-L459 VanDerWaalsContact C-N 3.34Å; I457-L459 PolarHBondContact O-N 3.23Å; L459-P464 WeakPolarHBondContact O-CD 3.41Å |
| 460 | A | 92.1 | Very high | 91.6 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -101.8 | -18.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y456 | Y456-A460 HydrophobicContact CD1-CB 4.49Å; Y456-A460 HydrophobicContact CD2-CB 3.92Å; Y456-A460 HydrophobicContact CE1-CB 4.35Å; Y456-A460 HydrophobicContact CE2-CB 3.78Å; Y456-A460 HydrophobicContact CG-CB 4.28Å; Y456-A460 WeakPolarHBondContact O-CA 3.3Å; Y456-A460 VanDerWaalsContact O-CB 3.26Å; Y456-A460 WeakPolarHBondContact O-CB 3.37Å; Y456-A460 PolarHBondContact O-N 2.99Å |
| 461 | D | 89.6 | Confident | 91 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -116.6 | -71.2 | -178.3 | -157.6 | -17.2 | 0 | 0 | 0 | 111.1 | H398 I457 F463 P464 E465 | H398-D461 IonicContact CE1-OD2 2.99Å; I457-D461 WeakPolarHBondContact O-CB 3.5Å; I457-D461 PolarHBondContact O-N 3.34Å; D461-F463 PolarHBondContact O-N 2.75Å; D461-P464 VanDerWaalsContact O-CD 3.26Å; D461-P464 WeakPolarHBondContact O-CD 3.23Å; D461-E465 PolarHBondContact O-N 2.97Å; D461-E465 VanDerWaalsContact O-N 3.15Å |
| 462 | M | 91.2 | Very high | 90.3 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 5% | 0.054 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | -175.3 | -70.4 | -68.2 | 95.2 | 0 | 0 | 113.9 | I204 I208 H398 I457 E465 M466 | I204-M462 HydrophobicContact CG2-CB 4.21Å; I204-M462 WeakPolarHBondContact CG2-O 3.34Å; I204-M462 HydrophobicContact CG2-SD 4.03Å; I208-M462 HydrophobicContact CD1-CB 4.22Å; I208-M462 HydrophobicContact CG1-CB 3.64Å; H398-M462 VanDerWaalsContact NE2-CE 3.32Å; H398-M462 WeakPolarHBondContact NE2-CE 3.18Å; I457-M462 HydrophobicContact CG2-CG 3.96Å; I457-M462 PolarHBondContact O-N 3.43Å; M462-E465 HydrophobicContact CE-CB 4.47Å; M462-E465 PolarHBondContact O-N 3.44Å; M462-M466 VanDerWaalsContact O-CB 3.31Å; M462-M466 WeakPolarHBondContact O-CB 3.23Å; M462-M466 PolarHBondContact O-N 3.08Å |
| 463 | F | 92.7 | Very high | 89.3 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 17% | 0.167 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.7 | -42.3 | 179.2 | -178.8 | -90.4 | 0 | 0 | 0 | 113.4 | I208 F244 F248 A458 D461 M466 N467 | I208-F463 HydrophobicContact CD1-CB 4.07Å; I208-F463 HydrophobicContact CD1-CD2 4.39Å; I208-F463 HydrophobicContact CG1-CB 4.47Å; I208-F463 HydrophobicContact CG2-CD2 4.49Å; F244-F463 HydrophobicContact CE2-CD2 4.27Å; F244-F463 AromaticContact CE2-CE2 3.99Å; F244-F463 HydrophobicContact CE2-CE2 3.99Å; F244-F463 HydrophobicContact CE2-CZ 4.37Å; F244-F463 AromaticContact CZ-CD2 3.83Å; F244-F463 HydrophobicContact CZ-CD2 3.83Å; F244-F463 AromaticContact CZ-CE2 3.73Å; F244-F463 HydrophobicContact CZ-CE2 3.73Å; F248-F463 AromaticContact CD2-CE2 3.58Å; F248-F463 HydrophobicContact CD2-CE2 3.58Å; F248-F463 AromaticContact CD2-CZ 3.79Å; F248-F463 HydrophobicContact CD2-CZ 3.79Å; F248-F463 HydrophobicContact CE2-CE2 4.08Å; F248-F463 HydrophobicContact CG-CE2 4.38Å; A458-F463 VanDerWaalsContact O-CB 3.23Å; A458-F463 WeakPolarHBondContact O-CB 3.49Å; A458-F463 PolarHBondContact O-N 3.17Å; D461-F463 PolarHBondContact O-N 2.75Å; F463-M466 HydrophobicContact CD2-CE 3.55Å; F463-M466 HydrophobicContact CE2-CE 3.74Å; F463-M466 HydrophobicContact CG-CE 4.39Å; F463-N467 WeakPolarHBondContact CE1-ND2 3.38Å; F463-N467 PolarHBondContact O-N 3.36Å; F463-N467 PolarHBondContact O-ND2 2.94Å |
| 464 | P | 91.4 | Very high | 88.4 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 41% | 0.409 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53.9 | -50.5 | 163.9 | -32.2 | 38.4 | 0 | 0 | 0 | 113.8 | L459 D461 M466 N467 E468 | L459-P464 WeakPolarHBondContact O-CD 3.41Å; D461-P464 VanDerWaalsContact O-CD 3.26Å; D461-P464 WeakPolarHBondContact O-CD 3.23Å; P464-M466 PolarHBondContact O-N 3.27Å; P464-N467 CarbonylContact O-C 3.59Å; P464-N467 WeakPolarHBondContact O-CA 3.32Å; P464-N467 WeakPolarHBondContact O-CB 3.34Å; P464-N467 PolarHBondContact O-N 3.09Å; P464-E468 PolarHBondContact O-N 3.06Å |
| 465 | E | 88.3 | Confident | 87.4 | Confident | 76 Ų | 76 | 52 Ų | 52 | 36% | 0.355 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | -179.3 | 178.2 | 56.9 | -161.9 | 0 | 0 | 112.4 | I204 D461 M462 N467 E468 V469 | I204-E465 HydrophobicContact CD1-CG 4.23Å; D461-E465 PolarHBondContact O-N 2.97Å; D461-E465 VanDerWaalsContact O-N 3.15Å; M462-E465 HydrophobicContact CE-CB 4.47Å; M462-E465 PolarHBondContact O-N 3.44Å; E465-N467 PolarHBondContact O-N 3.11Å; E465-N467 VanDerWaalsContact O-N 3.13Å; E465-E468 WeakPolarHBondContact O-CB 3.12Å; E465-E468 PolarHBondContact O-N 3.4Å; E465-E468 VanDerWaalsContact O-N 3.1Å; E465-V469 HydrophobicContact CG-CG2 4.48Å; E465-V469 WeakPolarHBondContact O-CG2 3.34Å; E465-V469 PolarHBondContact O-N 3.37Å; E465-V469 WeakPolarHBondContact OE1-CG2 3.43Å |
| 466 | M | 90 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.5 | -30.6 | 172.7 | -169.9 | -164.9 | 52.5 | 0 | 0 | 112.6 | L201 I204 A205 I208 F248 M462 F463 P464 S470 Q488 L492 | L201-M466 HydrophobicContact CD1-CG 3.82Å; L201-M466 WeakPolarHBondContact CD1-O 3.46Å; I204-M466 HydrophobicContact CG2-CB 3.79Å; I204-M466 HydrophobicContact CG2-CG 4.39Å; A205-M466 HydrophobicContact CB-CG 4.42Å; A205-M466 HydrophobicContact CB-SD 3.72Å; I208-M466 HydrophobicContact CD1-CB 3.82Å; I208-M466 HydrophobicContact CD1-CE 3.95Å; I208-M466 HydrophobicContact CD1-CG 4.18Å; I208-M466 HydrophobicContact CD1-SD 3.64Å; F248-M466 HydrophobicContact CE2-CE 3.84Å; F248-M466 HydrophobicContact CZ-CE 4.41Å; M462-M466 VanDerWaalsContact O-CB 3.31Å; M462-M466 WeakPolarHBondContact O-CB 3.23Å; M462-M466 PolarHBondContact O-N 3.08Å; F463-M466 HydrophobicContact CD2-CE 3.55Å; F463-M466 HydrophobicContact CE2-CE 3.74Å; F463-M466 HydrophobicContact CG-CE 4.39Å; P464-M466 PolarHBondContact O-N 3.27Å; M466-S470 VanDerWaalsContact O-CB 3.3Å; M466-S470 WeakPolarHBondContact O-CB 3.23Å; M466-S470 PolarHBondContact O-N 3.44Å; M466-Q488 HydrophobicContact CG-CG 4.02Å; M466-Q488 PolarHBondContact O-NE2 2.99Å; M466-Q488 HydrophobicContact SD-CB 4.18Å; M466-Q488 HydrophobicContact SD-CG 3.9Å; M466-L492 HydrophobicContact CE-CD1 4.3Å; M466-L492 HydrophobicContact SD-CD1 4.24Å; M466-L492 HydrophobicContact SD-CG 4.43Å |
| 467 | N | 88.6 | Confident | 84.7 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -84.8 | -32.9 | 177.1 | -74.8 | -63.1 | 0 | 0 | 0 | 113 | K252 F463 P464 E465 R471 | K252-N467 VanDerWaalsContact CE-OD1 3.23Å; K252-N467 WeakPolarHBondContact CE-OD1 3.43Å; K252-N467 PolarHBondContact NZ-OD1 3.33Å; F463-N467 WeakPolarHBondContact CE1-ND2 3.38Å; F463-N467 PolarHBondContact O-N 3.36Å; F463-N467 PolarHBondContact O-ND2 2.94Å; P464-N467 CarbonylContact O-C 3.59Å; P464-N467 WeakPolarHBondContact O-CA 3.32Å; P464-N467 WeakPolarHBondContact O-CB 3.34Å; P464-N467 PolarHBondContact O-N 3.09Å; E465-N467 PolarHBondContact O-N 3.11Å; E465-N467 VanDerWaalsContact O-N 3.13Å; N467-R471 PolarHBondContact O-N 3.2Å; N467-R471 VanDerWaalsContact O-N 3.08Å |
| 468 | E | 87.2 | Confident | 83.1 | Confident | 82 Ų | 82 | 49.1 Ų | 49.1 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.1 | -58 | 171.4 | -173.6 | 67.4 | -124.4 | 0 | 0 | 110.6 | P464 E465 S470 R471 E472 | P464-E468 PolarHBondContact O-N 3.06Å; E465-E468 WeakPolarHBondContact O-CB 3.12Å; E465-E468 PolarHBondContact O-N 3.4Å; E465-E468 VanDerWaalsContact O-N 3.1Å; E468-S470 PolarHBondContact O-N 2.76Å; E468-R471 WeakPolarHBondContact O-CB 3.4Å; E468-R471 PolarHBondContact O-N 3.41Å; E468-R471 IonicContact OE1-CZ 3.67Å; E468-R471 IonicContact OE1-NE 3.56Å; E468-R471 IonicContact OE1-NH2 2.57Å; E468-R471 PolarHBondContact OE1-NH2 3.4Å; E468-R471 IonicContact OE2-CZ 2.62Å; E468-R471 IonicContact OE2-NH2 3.82Å; E468-R471 PolarHBondContact OE2-NH2 3.2Å; E468-E472 PolarHBondContact O-N 2.97Å; E468-E472 VanDerWaalsContact O-N 3.15Å |
| 469 | V | 83.7 | Confident | 81.5 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.3 | -33.5 | 178.4 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | L201 I204 E465 E473 | L201-V469 HydrophobicContact CB-CG1 4.29Å; L201-V469 HydrophobicContact CD1-CB 4.29Å; L201-V469 HydrophobicContact CD1-CG1 4.17Å; I204-V469 HydrophobicContact CD1-CG2 4.46Å; E465-V469 HydrophobicContact CG-CG2 4.48Å; E465-V469 WeakPolarHBondContact O-CG2 3.34Å; E465-V469 PolarHBondContact O-N 3.37Å; E465-V469 WeakPolarHBondContact OE1-CG2 3.43Å; V469-E473 PolarHBondContact O-N 3.38Å |
| 470 | S | 84 | Confident | 80.5 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | M466 E468 E472 E473 E474 T484 Q488 | M466-S470 VanDerWaalsContact O-CB 3.3Å; M466-S470 WeakPolarHBondContact O-CB 3.23Å; M466-S470 PolarHBondContact O-N 3.44Å; E468-S470 PolarHBondContact O-N 2.76Å; S470-E472 VanDerWaalsContact C-N 3.34Å; S470-E473 PolarHBondContact O-N 2.85Å; S470-E474 WeakPolarHBondContact O-CG 3.48Å; S470-E474 PolarHBondContact O-N 3.48Å; S470-E474 PolarHBondContact OG-OE1 3.35Å; S470-T484 WeakPolarHBondContact OG-CG2 3.14Å; S470-Q488 VanDerWaalsContact CB-NE2 3.25Å; S470-Q488 PolarHBondContact OG-NE2 2.76Å |
| 471 | R | 82.3 | Confident | 79.8 | Confident | 129 Ų | 129 | 54.7 Ų | 54.7 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 178.5 | 178.6 | 175 | 65.3 | -161.3 | 3.3 | 110.9 | N467 E468 E473 E474 D475 | N467-R471 PolarHBondContact O-N 3.2Å; N467-R471 VanDerWaalsContact O-N 3.08Å; E468-R471 WeakPolarHBondContact O-CB 3.4Å; E468-R471 PolarHBondContact O-N 3.41Å; E468-R471 IonicContact OE1-CZ 3.67Å; E468-R471 IonicContact OE1-NE 3.56Å; E468-R471 IonicContact OE1-NH2 2.57Å; E468-R471 PolarHBondContact OE1-NH2 3.4Å; E468-R471 IonicContact OE2-CZ 2.62Å; E468-R471 IonicContact OE2-NH2 3.82Å; E468-R471 PolarHBondContact OE2-NH2 3.2Å; R471-E473 PolarHBondContact O-N 2.81Å; R471-E474 WeakPolarHBondContact O-CB 3.44Å; R471-E474 PolarHBondContact O-N 2.91Å; R471-D475 PolarHBondContact O-N 2.9Å |
| 472 | E | 80.5 | Confident | 79.5 | Confident | 93 Ų | 93 | 57 Ų | 57 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.2 | -66.3 | -164.1 | 130.2 | 0 | 0 | 113.3 | K197 E468 S470 E474 A476 | K197-E472 IonicContact NZ-OE1 3.33Å; K197-E472 IonicContact NZ-OE2 2.72Å; K197-E472 PolarHBondContact NZ-OE2 2.99Å; E468-E472 PolarHBondContact O-N 2.97Å; E468-E472 VanDerWaalsContact O-N 3.15Å; S470-E472 VanDerWaalsContact C-N 3.34Å; E472-E474 VanDerWaalsContact C-N 3.31Å; E472-E474 PolarHBondContact O-N 2.96Å; E472-A476 VanDerWaalsContact O-CB 3.23Å; E472-A476 WeakPolarHBondContact O-CB 3.22Å; E472-A476 PolarHBondContact O-N 3.11Å; E472-A476 VanDerWaalsContact O-N 3.13Å |
| 473 | E | 75.1 | Confident | 79.3 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.2 | -31.2 | 177.4 | -85.8 | -113.2 | 156.9 | 0 | 0 | 112.5 | R198 V469 S470 R471 T484 | R198-E473 IonicContact CZ-OE2 3.31Å; R198-E473 VanDerWaalsContact CZ-OE2 3.31Å; R198-E473 IonicContact NE-OE1 3.44Å; R198-E473 PolarHBondContact NE-OE1 2.81Å; R198-E473 IonicContact NE-OE2 2.89Å; R198-E473 PolarHBondContact NE-OE2 2.62Å; R198-E473 IonicContact NH2-OE2 2.82Å; R198-E473 PolarHBondContact NH2-OE2 2.82Å; V469-E473 PolarHBondContact O-N 3.38Å; S470-E473 PolarHBondContact O-N 2.85Å; R471-E473 PolarHBondContact O-N 2.81Å; E473-T484 HydrophobicContact CB-CG2 4.26Å |
| 474 | E | 74.1 | Confident | 79 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.7 | -50.6 | 176.9 | -78.1 | -179.5 | -130.3 | 0 | 0 | 112.5 | K259 S470 R471 E472 A476 G477 G478 F481 | K259-E474 IonicContact NZ-OE2 2.7Å; K259-E474 PolarHBondContact NZ-OE2 3.18Å; S470-E474 WeakPolarHBondContact O-CG 3.48Å; S470-E474 PolarHBondContact O-N 3.48Å; S470-E474 PolarHBondContact OG-OE1 3.35Å; R471-E474 WeakPolarHBondContact O-CB 3.44Å; R471-E474 PolarHBondContact O-N 2.91Å; E472-E474 VanDerWaalsContact C-N 3.31Å; E472-E474 PolarHBondContact O-N 2.96Å; E474-A476 VanDerWaalsContact C-N 3.27Å; E474-A476 PolarHBondContact O-N 3.23Å; E474-G477 CarbonylContact O-C 3.24Å; E474-G477 VanDerWaalsContact O-C 3.24Å; E474-G477 PolarHBondContact O-N 3.11Å; E474-G478 PolarHBondContact O-N 2.93Å; E474-G478 VanDerWaalsContact O-N 3.15Å; E474-F481 HydrophobicContact CG-CB 4.47Å; E474-F481 HydrophobicContact CG-CD2 3.7Å; E474-F481 HydrophobicContact CG-CE2 4.29Å; E474-F481 HydrophobicContact CG-CG 4.43Å; E474-F481 WeakPolarHBondContact OE1-CE2 3.33Å; E474-F481 WeakPolarHBondContact OE2-CD2 3.33Å; E474-F481 VanDerWaalsContact OE2-CE2 3.27Å; E474-F481 WeakPolarHBondContact OE2-CE2 3.4Å |
| 475 | D | 73.5 | Confident | 78.9 | Confident | 119 Ų | 119 | 57.2 Ų | 57.2 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71.5 | -27.3 | -176.2 | -66.6 | -21.3 | 0 | 0 | 0 | 111 | R471 G477 | R471-D475 PolarHBondContact O-N 2.9Å; D475-G477 PolarHBondContact O-N 2.87Å |
| 476 | A | 71.3 | Confident | 79 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 56% | 0.562 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 2.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E472 E474 R480 | E472-A476 VanDerWaalsContact O-CB 3.23Å; E472-A476 WeakPolarHBondContact O-CB 3.22Å; E472-A476 PolarHBondContact O-N 3.11Å; E472-A476 VanDerWaalsContact O-N 3.13Å; E474-A476 VanDerWaalsContact C-N 3.27Å; E474-A476 PolarHBondContact O-N 3.23Å; A476-R480 PolarHBondContact O-NH1 3.34Å |
| 477 | G | 62.8 | Low | 79.1 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | trans | 155.2 | 94.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E474 D475 S479 R480 | E474-G477 CarbonylContact O-C 3.24Å; E474-G477 VanDerWaalsContact O-C 3.24Å; E474-G477 PolarHBondContact O-N 3.11Å; D475-G477 PolarHBondContact O-N 2.87Å; G477-S479 PolarHBondContact O-N 2.95Å; G477-R480 WeakPolarHBondContact O-CB 3.25Å; G477-R480 PolarHBondContact O-N 2.84Å | ||
| 478 | G | 58.1 | Low | 79.3 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -54.5 | -19 | -167.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | E474 R480 F481 | E474-G478 PolarHBondContact O-N 2.93Å; E474-G478 VanDerWaalsContact O-N 3.15Å; G478-R480 PolarHBondContact O-N 3.3Å; G478-F481 PolarHBondContact O-N 3.18Å |
| 479 | S | 60.7 | Low | 79.7 | Confident | 120 Ų | 120 | 51.9 Ų | 51.9 | 84% | 0.839 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -67.3 | -15.4 | 171 | -167.7 | 0 | 0 | 0 | 0 | 113.1 | G477 | G477-S479 PolarHBondContact O-N 2.95Š|
| 480 | R | 73.4 | Confident | 80.3 | Confident | 96 Ų | 96 | 53.3 Ų | 53.3 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -78.5 | -17 | 177.3 | -69.4 | 177.9 | 177.6 | 144.1 | 2 | 114.1 | A476 G477 G478 L482 I483 T484 | A476-R480 PolarHBondContact O-NH1 3.34Å; G477-R480 WeakPolarHBondContact O-CB 3.25Å; G477-R480 PolarHBondContact O-N 2.84Å; G478-R480 PolarHBondContact O-N 3.3Å; R480-L482 VanDerWaalsContact C-N 3.29Å; R480-L482 PolarHBondContact O-N 3.23Å; R480-L482 VanDerWaalsContact O-N 3.13Å; R480-I483 WeakPolarHBondContact O-CA 3.43Å; R480-I483 WeakPolarHBondContact O-CB 3.49Å; R480-I483 PolarHBondContact O-N 3.25Å; R480-T484 PolarHBondContact O-N 2.9Å; R480-T484 PolarHBondContact O-OG1 3.24Å |
| 481 | F | 78.4 | Confident | 80.8 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -44 | -52.6 | -175.1 | -174.2 | -70.2 | 0 | 0 | 0 | 112.7 | V256 E474 G478 I483 T484 F485 | V256-F481 HydrophobicContact CG2-CD1 3.64Å; V256-F481 HydrophobicContact CG2-CE1 3.11Å; V256-F481 HydrophobicContact CG2-CE2 4.48Å; V256-F481 HydrophobicContact CG2-CZ 3.62Å; E474-F481 HydrophobicContact CG-CB 4.47Å; E474-F481 HydrophobicContact CG-CD2 3.7Å; E474-F481 HydrophobicContact CG-CE2 4.29Å; E474-F481 HydrophobicContact CG-CG 4.43Å; E474-F481 WeakPolarHBondContact OE1-CE2 3.33Å; E474-F481 WeakPolarHBondContact OE2-CD2 3.33Å; E474-F481 VanDerWaalsContact OE2-CE2 3.27Å; E474-F481 WeakPolarHBondContact OE2-CE2 3.4Å; G478-F481 PolarHBondContact O-N 3.18Å; F481-I483 PolarHBondContact O-N 3.12Å; F481-T484 PolarHBondContact O-N 3.35Å; F481-T484 VanDerWaalsContact O-N 3.16Å; F481-F485 HydrophobicContact CD1-CB 4.16Å; F481-F485 HydrophobicContact CE1-CB 3.82Å; F481-F485 HydrophobicContact CE1-CG 4.24Å; F481-F485 WeakPolarHBondContact O-CB 3.49Å; F481-F485 PolarHBondContact O-N 3Å |
| 482 | L | 82.7 | Confident | 81.5 | Confident | 117 Ų | 117 | 47.1 Ų | 47.1 | 61% | 0.613 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.1 | -26.5 | -175 | -65 | 174.4 | 0 | 0 | 0 | 112.8 | R480 G486 | R480-L482 VanDerWaalsContact C-N 3.29Å; R480-L482 PolarHBondContact O-N 3.23Å; R480-L482 VanDerWaalsContact O-N 3.13Å; L482-G486 PolarHBondContact O-N 3.5Å |
| 483 | I | 86.6 | Confident | 82.3 | Confident | 84 Ų | 84 | 46 Ų | 46 | 43% | 0.431 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -77.1 | -46.1 | 174.6 | -52.9 | 171.6 | 0 | 0 | 0 | 109.7 | R480 F481 F485 G486 I487 | R480-I483 WeakPolarHBondContact O-CA 3.43Å; R480-I483 WeakPolarHBondContact O-CB 3.49Å; R480-I483 PolarHBondContact O-N 3.25Å; F481-I483 PolarHBondContact O-N 3.12Å; I483-F485 PolarHBondContact O-N 3.22Å; I483-G486 PolarHBondContact O-N 3.35Å; I483-I487 HydrophobicContact CG2-CD1 3.94Å; I483-I487 VanDerWaalsContact O-CG1 3.29Å; I483-I487 WeakPolarHBondContact O-CG1 3.44Å; I483-I487 PolarHBondContact O-N 3.31Å |
| 484 | T | 87.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 177.1 | -48 | 0 | 0 | 0 | 0 | 111.2 | L201 S470 E473 R480 F481 I487 Q488 | L201-T484 HydrophobicContact CD2-CG2 3.51Å; S470-T484 WeakPolarHBondContact OG-CG2 3.14Å; E473-T484 HydrophobicContact CB-CG2 4.26Å; R480-T484 PolarHBondContact O-N 2.9Å; R480-T484 PolarHBondContact O-OG1 3.24Å; F481-T484 PolarHBondContact O-N 3.35Å; F481-T484 VanDerWaalsContact O-N 3.16Å; T484-I487 PolarHBondContact O-N 2.9Å; T484-Q488 WeakPolarHBondContact O-CG 3.44Å; T484-Q488 PolarHBondContact O-N 3.29Å |
| 485 | F | 88.3 | Confident | 84.4 | Confident | 32 Ų | 32 | 46.8 Ų | 46.8 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 172 | 176.7 | -112 | 0 | 0 | 0 | 112 | F249 K252 V253 F481 I483 I487 Q488 N489 | F249-F485 AromaticContact CD2-CZ 3.79Å; F249-F485 HydrophobicContact CD2-CZ 3.79Å; F249-F485 HydrophobicContact CE2-CE1 4.32Å; F249-F485 AromaticContact CE2-CZ 3.78Å; F249-F485 HydrophobicContact CE2-CZ 3.78Å; K252-F485 HydrophobicContact CB-CD2 3.71Å; K252-F485 HydrophobicContact CB-CE2 3.34Å; K252-F485 HydrophobicContact CB-CZ 4.3Å; K252-F485 HydrophobicContact CD-CD2 4.22Å; K252-F485 HydrophobicContact CG-CD2 4.06Å; K252-F485 HydrophobicContact CG-CE2 3.91Å; V253-F485 HydrophobicContact CG2-CZ 4.45Å; F481-F485 HydrophobicContact CD1-CB 4.16Å; F481-F485 HydrophobicContact CE1-CB 3.82Å; F481-F485 HydrophobicContact CE1-CG 4.24Å; F481-F485 WeakPolarHBondContact O-CB 3.49Å; F481-F485 PolarHBondContact O-N 3Å; I483-F485 PolarHBondContact O-N 3.22Å; F485-I487 VanDerWaalsContact C-N 3.29Å; F485-I487 PolarHBondContact O-N 3.17Å; F485-Q488 PolarHBondContact O-N 2.94Å; F485-N489 WeakPolarHBondContact CD2-ND2 3.46Å; F485-N489 WeakPolarHBondContact CE2-ND2 3.47Å; F485-N489 VanDerWaalsContact CZ-ND2 3.28Å; F485-N489 WeakPolarHBondContact CZ-ND2 3.11Å; F485-N489 PolarHBondContact O-N 3.13Å; F485-N489 PolarHBondContact O-ND2 2.73Å |
| 486 | G | 90.8 | Very high | 85.5 | Confident | 37 Ų | 37 | 42.7 Ų | 42.7 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.7 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L482 I483 A490 | L482-G486 PolarHBondContact O-N 3.5Å; I483-G486 PolarHBondContact O-N 3.35Å; G486-A490 VanDerWaalsContact O-CB 3.28Å; G486-A490 WeakPolarHBondContact O-CB 3.45Å; G486-A490 PolarHBondContact O-N 3.16Å |
| 487 | I | 92.6 | Very high | 86.6 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 175.8 | -71.5 | 162.8 | 0 | 0 | 0 | 111.3 | R198 L201 I483 T484 F485 N489 A490 G491 | R198-I487 HydrophobicContact CB-CD1 3.85Å; R198-I487 HydrophobicContact CG-CD1 3.9Å; L201-I487 HydrophobicContact CB-CG2 4.26Å; L201-I487 HydrophobicContact CD2-CG2 4.1Å; L201-I487 HydrophobicContact CG-CG2 4.04Å; I483-I487 HydrophobicContact CG2-CD1 3.94Å; I483-I487 VanDerWaalsContact O-CG1 3.29Å; I483-I487 WeakPolarHBondContact O-CG1 3.44Å; I483-I487 PolarHBondContact O-N 3.31Å; T484-I487 PolarHBondContact O-N 2.9Å; F485-I487 VanDerWaalsContact C-N 3.29Å; F485-I487 PolarHBondContact O-N 3.17Å; I487-N489 PolarHBondContact O-N 3.15Å; I487-A490 PolarHBondContact O-N 3.26Å; I487-G491 PolarHBondContact O-N 3.38Å |
| 488 | Q | 93.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 178.2 | -72.9 | 177.4 | -30.9 | 0 | 0 | 112 | L201 F248 M466 S470 T484 F485 A490 G491 L492 | L201-Q488 HydrophobicContact CD1-CG 4.11Å; L201-Q488 HydrophobicContact CD2-CG 4.3Å; L201-Q488 HydrophobicContact CG-CG 4.26Å; F248-Q488 HydrophobicContact CZ-CB 4.13Å; M466-Q488 HydrophobicContact CG-CG 4.02Å; M466-Q488 PolarHBondContact O-NE2 2.99Å; M466-Q488 HydrophobicContact SD-CB 4.18Å; M466-Q488 HydrophobicContact SD-CG 3.9Å; S470-Q488 VanDerWaalsContact CB-NE2 3.25Å; S470-Q488 PolarHBondContact OG-NE2 2.76Å; T484-Q488 WeakPolarHBondContact O-CG 3.44Å; T484-Q488 PolarHBondContact O-N 3.29Å; F485-Q488 PolarHBondContact O-N 2.94Å; Q488-A490 VanDerWaalsContact C-N 3.34Å; Q488-A490 PolarHBondContact O-N 3.21Å; Q488-G491 PolarHBondContact O-N 3.26Å; Q488-L492 WeakPolarHBondContact O-CB 3.4Å; Q488-L492 WeakPolarHBondContact O-CG 3.43Å; Q488-L492 PolarHBondContact O-N 3.12Å |
| 489 | N | 94.4 | Very high | 89.8 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.5 | -36.8 | 177.6 | -69.1 | -92.4 | 0 | 0 | 0 | 111.7 | Y245 F485 I487 L493 | Y245-N489 WeakPolarHBondContact CE2-OD1 3.22Å; Y245-N489 PolarHBondContact OH-OD1 3.38Å; F485-N489 WeakPolarHBondContact CD2-ND2 3.46Å; F485-N489 WeakPolarHBondContact CE2-ND2 3.47Å; F485-N489 VanDerWaalsContact CZ-ND2 3.28Å; F485-N489 WeakPolarHBondContact CZ-ND2 3.11Å; F485-N489 PolarHBondContact O-N 3.13Å; F485-N489 PolarHBondContact O-ND2 2.73Å; I487-N489 PolarHBondContact O-N 3.15Å; N489-L493 VanDerWaalsContact O-CB 3.24Å; N489-L493 WeakPolarHBondContact O-CB 3.42Å; N489-L493 VanDerWaalsContact O-CG 3.28Å; N489-L493 WeakPolarHBondContact O-CG 3.49Å; N489-L493 PolarHBondContact O-N 3.11Å |
| 490 | A | 95.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.3 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y202 G486 I487 Q488 T494 | Y202-A490 HydrophobicContact CD2-CB 4.36Å; Y202-A490 HydrophobicContact CE2-CB 4.13Å; G486-A490 VanDerWaalsContact O-CB 3.28Å; G486-A490 WeakPolarHBondContact O-CB 3.45Å; G486-A490 PolarHBondContact O-N 3.16Å; I487-A490 PolarHBondContact O-N 3.26Å; Q488-A490 VanDerWaalsContact C-N 3.34Å; Q488-A490 PolarHBondContact O-N 3.21Å; A490-T494 WeakPolarHBondContact O-CB 3.48Å; A490-T494 PolarHBondContact O-N 2.98Å; A490-T494 VanDerWaalsContact O-N 3.08Å; A490-T494 PolarHBondContact O-OG1 3.19Å |
| 491 | G | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -56.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A205 I487 Q488 L493 T494 G495 | A205-G491 CarbonylContact O-C 3.57Å; I487-G491 PolarHBondContact O-N 3.38Å; Q488-G491 PolarHBondContact O-N 3.26Å; G491-L493 PolarHBondContact O-N 3.08Å; G491-T494 PolarHBondContact O-N 2.95Å; G491-T494 VanDerWaalsContact O-N 3.08Å; G491-G495 PolarHBondContact O-N 2.97Å |
| 492 | L | 96.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.2 | -47.9 | -177.7 | -74.5 | 166.4 | 0 | 0 | 0 | 112.6 | A205 I208 F248 M466 Q488 F496 | A205-L492 HydrophobicContact CB-CG 4.31Å; A205-L492 VanDerWaalsContact O-CA 3.28Å; A205-L492 WeakPolarHBondContact O-CA 3.2Å; A205-L492 WeakPolarHBondContact O-CD2 3.42Å; A205-L492 PolarHBondContact O-N 3.07Å; I208-L492 HydrophobicContact CB-CD2 3.71Å; I208-L492 HydrophobicContact CG2-CD2 3.55Å; F248-L492 HydrophobicContact CD1-CD1 4.13Å; F248-L492 HydrophobicContact CE1-CD1 3.58Å; F248-L492 HydrophobicContact CE2-CD1 4.16Å; F248-L492 HydrophobicContact CZ-CD1 3.59Å; M466-L492 HydrophobicContact CE-CD1 4.3Å; M466-L492 HydrophobicContact SD-CD1 4.24Å; M466-L492 HydrophobicContact SD-CG 4.43Å; Q488-L492 WeakPolarHBondContact O-CB 3.4Å; Q488-L492 WeakPolarHBondContact O-CG 3.43Å; Q488-L492 PolarHBondContact O-N 3.12Å; L492-F496 WeakPolarHBondContact O-CB 3.04Å; L492-F496 PolarHBondContact O-N 2.92Å |
| 493 | L | 96.8 | Very high | 92.7 | Very high | 71 Ų | 71 | 32.5 Ų | 32.5 | 37% | 0.372 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -72.4 | -29.3 | 179.8 | -66.9 | 176.8 | 0 | 0 | 0 | 112.7 | Y245 N489 G491 A497 | Y245-L493 HydrophobicContact CD2-CD2 4.12Å; Y245-L493 HydrophobicContact CE1-CD2 4.44Å; Y245-L493 HydrophobicContact CE2-CD1 4.32Å; Y245-L493 HydrophobicContact CE2-CD2 3.75Å; Y245-L493 HydrophobicContact CE2-CG 3.96Å; N489-L493 VanDerWaalsContact O-CB 3.24Å; N489-L493 WeakPolarHBondContact O-CB 3.42Å; N489-L493 VanDerWaalsContact O-CG 3.28Å; N489-L493 WeakPolarHBondContact O-CG 3.49Å; N489-L493 PolarHBondContact O-N 3.11Å; G491-L493 PolarHBondContact O-N 3.08Å; L493-A497 WeakPolarHBondContact O-CB 3.26Å; L493-A497 PolarHBondContact O-N 3.45Å |
| 494 | T | 97 | Very high | 92.6 | Very high | 52 Ų | 52 | 31.9 Ų | 31.9 | 32% | 0.319 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -70.9 | -43 | 174.7 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | L206 A490 G491 A497 I498 | L206-T494 HydrophobicContact CD1-CG2 3.88Å; A490-T494 WeakPolarHBondContact O-CB 3.48Å; A490-T494 PolarHBondContact O-N 2.98Å; A490-T494 VanDerWaalsContact O-N 3.08Å; A490-T494 PolarHBondContact O-OG1 3.19Å; G491-T494 PolarHBondContact O-N 2.95Å; G491-T494 VanDerWaalsContact O-N 3.08Å; T494-A497 PolarHBondContact O-N 2.75Å; T494-I498 HydrophobicContact CG2-CD1 3.93Å; T494-I498 HydrophobicContact CG2-CG1 4.44Å; T494-I498 VanDerWaalsContact O-CG1 3.28Å; T494-I498 WeakPolarHBondContact O-CG1 3.44Å; T494-I498 PolarHBondContact O-N 3.39Å |
| 495 | G | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G209 G491 A497 I498 M499 | G209-G495 CarbonylContact O-C 3.56Å; G491-G495 PolarHBondContact O-N 2.97Å; G495-A497 PolarHBondContact O-N 3.02Å; G495-I498 PolarHBondContact O-N 3.18Å; G495-M499 WeakPolarHBondContact O-CG 3.36Å; G495-M499 PolarHBondContact O-N 2.71Å; G495-M499 VanDerWaalsContact O-N 3.14Å |
| 496 | F | 96.6 | Very high | 91.6 | Very high | 33 Ų | 33 | 37.5 Ų | 37.5 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 171.6 | 174.9 | -102.3 | 0 | 0 | 0 | 112.6 | G209 F217 A238 F241 L492 I498 M499 L500 | G209-F496 PolarHBondContact O-N 3.22Å; F217-F496 AromaticContact CE2-CD2 3.98Å; F217-F496 HydrophobicContact CE2-CD2 3.98Å; F217-F496 AromaticContact CE2-CE2 3.71Å; F217-F496 HydrophobicContact CE2-CE2 3.71Å; F217-F496 HydrophobicContact CZ-CD2 4.24Å; F217-F496 AromaticContact CZ-CE2 3.51Å; F217-F496 HydrophobicContact CZ-CE2 3.51Å; F217-F496 HydrophobicContact CZ-CZ 4.1Å; A238-F496 HydrophobicContact CB-CZ 4.16Å; F241-F496 HydrophobicContact CB-CD2 3.95Å; F241-F496 HydrophobicContact CB-CE2 3.56Å; F241-F496 HydrophobicContact CB-CZ 4.46Å; F241-F496 AromaticContact CD1-CD2 3.52Å; F241-F496 HydrophobicContact CD1-CD2 3.52Å; F241-F496 AromaticContact CD1-CE2 3.71Å; F241-F496 HydrophobicContact CD1-CE2 3.71Å; F241-F496 AromaticContact CD1-CG 3.95Å; F241-F496 HydrophobicContact CD1-CG 3.95Å; F241-F496 HydrophobicContact CD1-CZ 4.32Å; F241-F496 HydrophobicContact CD2-CB 4.43Å; F241-F496 AromaticContact CD2-CD2 3.35Å; F241-F496 HydrophobicContact CD2-CD2 3.35Å; F241-F496 AromaticContact CD2-CE2 3.91Å; F241-F496 HydrophobicContact CD2-CE2 3.91Å; F241-F496 HydrophobicContact CD2-CG 4.2Å; F241-F496 HydrophobicContact CE1-CB 3.96Å; F241-F496 HydrophobicContact CE1-CD1 4.5Å; F241-F496 AromaticContact CE1-CD2 3.83Å; F241-F496 HydrophobicContact CE1-CD2 3.83Å; F241-F496 HydrophobicContact CE1-CE2 4.43Å; F241-F496 AromaticContact CE1-CG 3.84Å; F241-F496 HydrophobicContact CE1-CG 3.84Å; F241-F496 HydrophobicContact CE2-CB 3.87Å; F241-F496 AromaticContact CE2-CD2 3.69Å; F241-F496 HydrophobicContact CE2-CD2 3.69Å; F241-F496 HydrophobicContact CE2-CG 4.12Å; F241-F496 AromaticContact CG-CD2 3.3Å; F241-F496 HydrophobicContact CG-CD2 3.3Å; F241-F496 AromaticContact CG-CE2 3.44Å; F241-F496 HydrophobicContact CG-CE2 3.44Å; F241-F496 VanDerWaalsContact CG-CE2 3.44Å; F241-F496 HydrophobicContact CG-CG 4.17Å; F241-F496 HydrophobicContact CG-CZ 4.41Å; F241-F496 HydrophobicContact CZ-CB 3.63Å; F241-F496 AromaticContact CZ-CD2 3.93Å; F241-F496 HydrophobicContact CZ-CD2 3.93Å; F241-F496 AromaticContact CZ-CG 3.95Å; F241-F496 HydrophobicContact CZ-CG 3.95Å; L492-F496 WeakPolarHBondContact O-CB 3.04Å; L492-F496 PolarHBondContact O-N 2.92Å; F496-I498 PolarHBondContact O-N 3.06Å; F496-M499 PolarHBondContact O-N 2.05Å; F496-L500 HydrophobicContact CE1-CD2 3.76Å; F496-L500 HydrophobicContact CZ-CD2 3.94Å; F496-L500 WeakPolarHBondContact O-CB 3.28Å; F496-L500 PolarHBondContact O-N 3.14Å |
| 497 | A | 95.6 | Very high | 90.3 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L493 T494 G495 L501 | L493-A497 WeakPolarHBondContact O-CB 3.26Å; L493-A497 PolarHBondContact O-N 3.45Å; T494-A497 PolarHBondContact O-N 2.75Å; G495-A497 PolarHBondContact O-N 3.02Å; A497-L501 VanDerWaalsContact O-CB 3.23Å; A497-L501 WeakPolarHBondContact O-CB 3.44Å; A497-L501 WeakPolarHBondContact O-CD1 3.4Å; A497-L501 WeakPolarHBondContact O-CG 3.23Å; A497-L501 PolarHBondContact O-N 3.15Å |
| 498 | I | 94.2 | Very high | 88.8 | Confident | 55 Ų | 55 | 44.5 Ų | 44.5 | 28% | 0.282 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.9 | -53.9 | 174.9 | -72 | 164 | 0 | 0 | 0 | 110 | L206 V389 T494 G495 F496 L500 L501 L502 | L206-I498 HydrophobicContact CD1-CD1 4.34Å; V389-I498 HydrophobicContact CG1-CG2 4.09Å; T494-I498 HydrophobicContact CG2-CD1 3.93Å; T494-I498 HydrophobicContact CG2-CG1 4.44Å; T494-I498 VanDerWaalsContact O-CG1 3.28Å; T494-I498 WeakPolarHBondContact O-CG1 3.44Å; T494-I498 PolarHBondContact O-N 3.39Å; G495-I498 PolarHBondContact O-N 3.18Å; F496-I498 PolarHBondContact O-N 3.06Å; I498-L500 PolarHBondContact O-N 3.29Å; I498-L501 PolarHBondContact O-N 3.38Å; I498-L502 HydrophobicContact CG2-CD1 3.83Å; I498-L502 WeakPolarHBondContact O-CB 3.26Å; I498-L502 VanDerWaalsContact O-CG 3.3Å; I498-L502 WeakPolarHBondContact O-CG 3.4Å; I498-L502 PolarHBondContact O-N 3.35Å |
| 499 | M | 93.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.8 | -34.5 | -176.7 | -58.5 | -47.7 | -58.6 | 0 | 0 | 113.3 | T210 N214 F217 S386 A390 G495 F496 L502 T503 | T210-M499 HydrophobicContact CG2-CG 4.32Å; T210-M499 HydrophobicContact CG2-SD 4.37Å; T210-M499 WeakPolarHBondContact O-CG 3.38Å; N214-M499 HydrophobicContact CB-CE 3.84Å; N214-M499 WeakPolarHBondContact OD1-CE 3.36Å; F217-M499 HydrophobicContact CD2-CB 4.17Å; S386-M499 VanDerWaalsContact OG-CE 3.28Å; S386-M499 WeakPolarHBondContact OG-CE 3.3Å; A390-M499 HydrophobicContact CB-CE 4.22Å; A390-M499 HydrophobicContact CB-SD 4.16Å; G495-M499 WeakPolarHBondContact O-CG 3.36Å; G495-M499 PolarHBondContact O-N 2.71Å; G495-M499 VanDerWaalsContact O-N 3.14Å; F496-M499 PolarHBondContact O-N 2.05Å; M499-L502 HydrophobicContact CE-CD1 4.28Å; M499-L502 HydrophobicContact SD-CD1 4.05Å; M499-T503 WeakPolarHBondContact O-CB 3.4Å; M499-T503 PolarHBondContact O-N 3.35Å; M499-T503 PolarHBondContact O-OG1 3.32Å |
| 500 | L | 91.9 | Very high | 85 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 174.2 | 177.9 | 62.7 | 0 | 0 | 0 | 111.2 | F217 V234 F496 I498 T504 | F217-L500 HydrophobicContact CE1-CD1 4.17Å; F217-L500 HydrophobicContact CE2-CB 4.01Å; F217-L500 HydrophobicContact CE2-CD1 4.35Å; F217-L500 HydrophobicContact CZ-CB 4.25Å; F217-L500 HydrophobicContact CZ-CD1 3.81Å; V234-L500 HydrophobicContact CG1-CD1 3.82Å; F496-L500 HydrophobicContact CE1-CD2 3.76Å; F496-L500 HydrophobicContact CZ-CD2 3.94Å; F496-L500 WeakPolarHBondContact O-CB 3.28Å; F496-L500 PolarHBondContact O-N 3.14Å; I498-L500 PolarHBondContact O-N 3.29Å; L500-T504 WeakPolarHBondContact O-CB 3.44Å; L500-T504 PolarHBondContact O-N 3.45Å; L500-T504 PolarHBondContact O-OG1 3.25Å |
| 501 | L | 90.4 | Very high | 83 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.7 | -73.2 | 169 | 0 | 0 | 0 | 110.8 | A497 I498 T504 Y505 | A497-L501 VanDerWaalsContact O-CB 3.23Å; A497-L501 WeakPolarHBondContact O-CB 3.44Å; A497-L501 WeakPolarHBondContact O-CD1 3.4Å; A497-L501 WeakPolarHBondContact O-CG 3.23Å; A497-L501 PolarHBondContact O-N 3.15Å; I498-L501 PolarHBondContact O-N 3.38Å; L501-T504 PolarHBondContact O-N 2.95Å; L501-Y505 HydrophobicContact CD2-CD2 4.16Å; L501-Y505 HydrophobicContact CD2-CE2 3.75Å; L501-Y505 WeakPolarHBondContact O-CB 3.15Å; L501-Y505 VanDerWaalsContact O-CD2 3.32Å; L501-Y505 WeakPolarHBondContact O-CD2 3.48Å; L501-Y505 PolarHBondContact O-N 2.92Å |
| 502 | L | 88.1 | Confident | 80.2 | Confident | 37 Ų | 37 | 64 Ų | 64 | 19% | 0.194 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.1 | -57 | 175.4 | -74.5 | 169.1 | 0 | 0 | 0 | 110.9 | F382 V389 I498 M499 T504 Y505 S506 | F382-L502 HydrophobicContact CE1-CB 4.44Å; F382-L502 WeakPolarHBondContact CE1-O 3.04Å; F382-L502 HydrophobicContact CE2-CD2 4.03Å; F382-L502 HydrophobicContact CZ-CB 3.83Å; F382-L502 HydrophobicContact CZ-CD2 3.78Å; F382-L502 HydrophobicContact CZ-CG 4.43Å; F382-L502 WeakPolarHBondContact CZ-O 3.48Å; V389-L502 HydrophobicContact CG1-CD1 4.5Å; I498-L502 HydrophobicContact CG2-CD1 3.83Å; I498-L502 WeakPolarHBondContact O-CB 3.26Å; I498-L502 VanDerWaalsContact O-CG 3.3Å; I498-L502 WeakPolarHBondContact O-CG 3.4Å; I498-L502 PolarHBondContact O-N 3.35Å; M499-L502 HydrophobicContact CE-CD1 4.28Å; M499-L502 HydrophobicContact SD-CD1 4.05Å; L502-T504 VanDerWaalsContact C-N 3.31Å; L502-T504 PolarHBondContact O-N 2.96Å; L502-Y505 PolarHBondContact O-N 3.24Å; L502-S506 PolarHBondContact O-N 2.78Å |
| 503 | T | 86.2 | Confident | 79.4 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61 | -38.9 | -178.5 | -49.2 | 0 | 0 | 0 | 0 | 112.5 | F217 Q218 P228 V234 M499 S506 | F217-T503 HydrophobicContact CB-CG2 4.12Å; F217-T503 WeakPolarHBondContact CB-OG1 3.45Å; Q218-T503 PolarHBondContact NE2-OG1 3.14Å; P228-T503 HydrophobicContact CB-CG2 4.33Å; V234-T503 HydrophobicContact CG1-CG2 4.23Å; V234-T503 HydrophobicContact CG2-CG2 3.8Å; M499-T503 WeakPolarHBondContact O-CB 3.4Å; M499-T503 PolarHBondContact O-N 3.35Å; M499-T503 PolarHBondContact O-OG1 3.32Å; T503-S506 WeakPolarHBondContact O-CB 3.4Å |
| 504 | T | 83.7 | Confident | 78.5 | Confident | 71 Ų | 71 | 67 Ų | 67 | 44% | 0.436 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.2 | -38.5 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | L500 L501 L502 | L500-T504 WeakPolarHBondContact O-CB 3.44Å; L500-T504 PolarHBondContact O-N 3.45Å; L500-T504 PolarHBondContact O-OG1 3.25Å; L501-T504 PolarHBondContact O-N 2.95Å; L502-T504 VanDerWaalsContact C-N 3.31Å; L502-T504 PolarHBondContact O-N 2.96Å |
| 505 | Y | 81.2 | Confident | 77.5 | Confident | 114 Ų | 114 | 67.8 Ų | 67.8 | 45% | 0.447 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -93.9 | -3.7 | -177.8 | -71.9 | -73.4 | 0 | 0 | 0 | 114.3 | L501 L502 G507 Q508 I509 | L501-Y505 HydrophobicContact CD2-CD2 4.16Å; L501-Y505 HydrophobicContact CD2-CE2 3.75Å; L501-Y505 WeakPolarHBondContact O-CB 3.15Å; L501-Y505 VanDerWaalsContact O-CD2 3.32Å; L501-Y505 WeakPolarHBondContact O-CD2 3.48Å; L501-Y505 PolarHBondContact O-N 2.92Å; L502-Y505 PolarHBondContact O-N 3.24Å; Y505-G507 VanDerWaalsContact C-N 3.33Å; Y505-G507 PolarHBondContact O-N 3.29Å; Y505-Q508 WeakPolarHBondContact O-CA 3.2Å; Y505-Q508 PolarHBondContact O-N 2.97Å; Y505-I509 WeakPolarHBondContact O-CG1 3.33Å; Y505-I509 PolarHBondContact O-N 2.84Å |
| 506 | S | 73.7 | Confident | 76.4 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 26% | 0.259 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -37.7 | -56.6 | 177.1 | 176.3 | 0 | 0 | 0 | 0 | 113.6 | F382 L502 T503 Q508 I509 | F382-S506 WeakPolarHBondContact CD1-OG 3.44Å; L502-S506 PolarHBondContact O-N 2.78Å; T503-S506 WeakPolarHBondContact O-CB 3.4Å; S506-Q508 PolarHBondContact O-N 2.99Å; S506-Q508 VanDerWaalsContact O-N 3.13Å; S506-I509 PolarHBondContact O-N 3.06Å |
| 507 | G | 62 | Low | 75.1 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 63% | 0.629 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -73.2 | 1.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y505 | Y505-G507 VanDerWaalsContact C-N 3.33Å; Y505-G507 PolarHBondContact O-N 3.29Å |
| 508 | Q | 61.3 | Low | 73.8 | Confident | 152 Ų | 152 | 76.6 Ų | 76.6 | 71% | 0.71 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -112.1 | -11.4 | 175.2 | -63.2 | -172 | -5.2 | 0 | 0 | 113 | Y505 S506 Q510 | Y505-Q508 WeakPolarHBondContact O-CA 3.2Å; Y505-Q508 PolarHBondContact O-N 2.97Å; S506-Q508 PolarHBondContact O-N 2.99Å; S506-Q508 VanDerWaalsContact O-N 3.13Å; Q508-Q510 PolarHBondContact O-N 3.27Å |
| 509 | I | 60.1 | Low | 72.3 | Confident | 71 Ų | 71 | 78.1 Ų | 78.1 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | trans | -98.6 | 86.1 | -176.8 | -57.1 | 163.6 | 0 | 0 | 0 | 108.7 | F382 Y505 S506 L511 | F382-I509 HydrophobicContact CD2-CB 4.43Å; F382-I509 HydrophobicContact CD2-CD1 4.46Å; F382-I509 HydrophobicContact CE2-CB 4.49Å; F382-I509 HydrophobicContact CE2-CD1 3.71Å; F382-I509 HydrophobicContact CZ-CD1 4.47Å; Y505-I509 WeakPolarHBondContact O-CG1 3.33Å; Y505-I509 PolarHBondContact O-N 2.84Å; S506-I509 PolarHBondContact O-N 3.06Å; I509-L511 HydrophobicContact CG2-CD2 3.78Å; I509-L511 HydrophobicContact CG2-CG 3.9Å; I509-L511 PolarHBondContact O-N 2.92Å; I509-L511 VanDerWaalsContact O-N 3.14Å | ||
| 510 | Q | 47.8 | Very low | 70.7 | Confident | 190 Ų | 190 | 84.2 Ų | 84.2 | 89% | 0.888 | 50% | 0.499 | S | S | * | . | trans | -68.8 | 106.3 | 170.1 | -73 | -176.9 | -23.2 | 0 | 0 | 110 | Q508 | Q508-Q510 PolarHBondContact O-N 3.27Š| ||
| 511 | L | 54.2 | Low | 68.9 | Low | 76 Ų | 76 | 87.1 Ų | 87.1 | 40% | 0.398 | 52% | 0.519 | S | S | . | . | trans | -99.2 | 83.8 | 175.3 | -66 | 179.5 | 0 | 0 | 0 | 110.9 | V381 F382 I385 I509 | V381-L511 HydrophobicContact CG1-CB 4.37Å; V381-L511 HydrophobicContact CG1-CD1 4.06Å; F382-L511 HydrophobicContact CB-CD1 4.47Å; F382-L511 HydrophobicContact CD2-CD1 4.35Å; I385-L511 HydrophobicContact CD1-CD1 3.75Å; I509-L511 HydrophobicContact CG2-CD2 3.78Å; I509-L511 HydrophobicContact CG2-CG 3.9Å; I509-L511 PolarHBondContact O-N 2.92Å; I509-L511 VanDerWaalsContact O-N 3.14Å | ||
| 512 | G | 38.4 | Very low | 67 | Low | 132 Ų | 132 | 86 Ų | 86 | 100% | 1.361 | 52% | 0.52 | S | S | * | . | trans | 81.8 | 0 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.5 |
Retrieved 512 of 512 residues in 534.7 ms
(Link to these results)