| 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 | 45.6 | Very low | 39.7 | Very low | 239 Ų | 239 | 161.5 Ų | 161.5 | 100% | 1.177 | 87% | 0.866 | S | S | * | * | 0 | 102.1 | 0 | -84.6 | -179.8 | 152.4 | 0 | 0 | 108.6 | |||||
| 2 | Y | 36.3 | Very low | 39.6 | Very low | 240 Ų | 240 | 153.1 Ų | 153.1 | 94% | 0.941 | 85% | 0.846 | S | S | * | * | trans | -168.7 | 124.4 | 140.1 | -119.7 | -85.8 | 0 | 0 | 0 | 107.7 | ||||
| 3 | S | 38.5 | Very low | 40 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 76% | 0.755 | 84% | 0.843 | S | S | * | * | trans | -96.7 | 147.9 | -178.3 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | S | 43.6 | Very low | 40.4 | Very low | 120 Ų | 120 | 154.2 Ų | 154.2 | 84% | 0.839 | 85% | 0.849 | S | S | * | * | trans | -161.8 | 86.1 | 147.3 | 36.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 5 | S | 38.8 | Very low | 40.4 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | 26.1 | 126.9 | 129.4 | -50.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 6 | C | 36.7 | Very low | 40.3 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 82% | 0.824 | 84% | 0.837 | S | S | * | * | 97.5 | 114.8 | 125 | -131.7 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 7 | S | 41.3 | Very low | 40.6 | Very low | 119 Ų | 119 | 156.5 Ų | 156.5 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | -176.5 | 139.6 | 102.3 | 43.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 8 | R | 38.8 | Very low | 40.7 | Very low | 224 Ų | 224 | 154.5 Ų | 154.5 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | -45.9 | 151.5 | 171.8 | -73.9 | 159.9 | 126.2 | -179.9 | -2.7 | 114.5 | ||||
| 9 | V | 35.5 | Very low | 40.8 | Very low | 136 Ų | 136 | 155.1 Ų | 155.1 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | -151.4 | 128.7 | 109.6 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | L11 | V9-L11 HydrophobicContact CG1-CD1 4.21Š| |||
| 10 | K | 45.3 | Very low | 40.7 | Very low | 189 Ų | 189 | 157.5 Ų | 157.5 | 82% | 0.822 | 84% | 0.837 | S | S | * | * | trans | -79.5 | 136.3 | 166.5 | -87.2 | 175.7 | 167.2 | -179.3 | 0 | 109.8 | ||||
| 11 | L | 36.5 | Very low | 40.6 | Very low | 165 Ų | 165 | 160 Ų | 160 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -149.3 | 96.3 | 144.6 | -101.1 | 118.4 | 0 | 0 | 0 | 109.6 | V9 | V9-L11 HydrophobicContact CG1-CD1 4.21Š| ||
| 12 | G | 38.5 | Very low | 40.3 | Very low | 60 Ų | 60 | 154.9 Ų | 154.9 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | trans | -75.2 | 170.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | P | 45.1 | Very low | 41.1 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | -137.1 | 114.8 | 76.3 | 32 | -15 | 0 | 0 | 0 | 113.3 | |||||
| 14 | E | 45.1 | Very low | 41.5 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -66.6 | 116.3 | 139.1 | -100.7 | -100.2 | 146 | 0 | 0 | 107.2 | ||||
| 15 | A | 40.8 | Very low | 42.3 | Very low | 78 Ų | 78 | 154.6 Ų | 154.6 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | trans | -148.8 | 108.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 16 | R | 38.1 | Very low | 42.9 | Very low | 228 Ų | 228 | 153 Ų | 153 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | 78.6 | 99.6 | 144.4 | -62 | 176.1 | 174.4 | 169.4 | -2.4 | 116.8 | ||||
| 17 | Q | 45.1 | Very low | 44 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -58 | 143 | 137.8 | -69.9 | -178.9 | 2.8 | 0 | 0 | 109.8 | ||||
| 18 | P | 43.8 | Very low | 45.1 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -124.6 | 149.5 | 134.3 | 28.9 | -16.1 | 0 | 0 | 0 | 112.4 | ||||
| 19 | L | 41.3 | Very low | 46.6 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -53.3 | 143.2 | 175.9 | -82.5 | 115.6 | 0 | 0 | 0 | 114.8 | ||||
| 20 | Y | 39.9 | Very low | 48.4 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | trans | 59.4 | 95.7 | 137.5 | -138 | -98.2 | 0 | 0 | 0 | 119.9 | ||||
| 21 | R | 37.8 | Very low | 49.6 | Very low | 209 Ų | 209 | 140.9 Ų | 140.9 | 79% | 0.789 | 73% | 0.728 | S | S | * | * | 168.5 | 134.8 | 115.9 | -106.4 | 177.3 | 173.4 | 174.6 | -1.6 | 114.8 | |||||
| 22 | N | 40.3 | Very low | 51.5 | Low | 132 Ų | 132 | 142.9 Ų | 142.9 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | 56.6 | 114.7 | 139.6 | -62.2 | -6.3 | 0 | 0 | 0 | 122.8 | ||||
| 23 | K | 51.8 | Low | 53.4 | Low | 219 Ų | 219 | 142.4 Ų | 142.4 | 95% | 0.952 | 71% | 0.707 | S | S | * | * | trans | 32.2 | 91.6 | 136 | -77.6 | 179 | 175.8 | 177.5 | 0 | 117.1 | ||||
| 24 | G | 47.8 | Very low | 55 | Low | 66 Ų | 66 | 140.6 Ų | 140.6 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | trans | -165.3 | 122.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | S26 | G24-S26 PolarHBondContact O-N 3.14Š| ||
| 25 | K | 60.2 | Low | 56.6 | Low | 178 Ų | 178 | 139 Ų | 139 | 77% | 0.774 | 68% | 0.684 | S | S | * | * | trans | -60.4 | 100.5 | 177.4 | -71.9 | 176.4 | 179.4 | 176 | 0 | 107.8 | Y30 | K25-Y30 HydrophobicContact CB-CE2 4.38Š| ||
| 26 | S | 51.5 | Low | 58.6 | Low | 82 Ų | 82 | 142 Ų | 142 | 57% | 0.573 | 68% | 0.683 | S | S | * | * | trans | -70.8 | 140.9 | -174.8 | 67.9 | 0 | 0 | 0 | 0 | 110.1 | G24 G28 Y29 | G24-S26 PolarHBondContact O-N 3.14Å; S26-G28 PolarHBondContact O-N 2.86Å; S26-Y29 PolarHBondContact O-N 3.29Å | ||
| 27 | C | 60.1 | Low | 60.7 | Low | 95 Ų | 95 | 136.7 Ų | 136.7 | 64% | 0.642 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -46.8 | -27.6 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 113.4 | Y29 Y30 M31 | C27-Y29 VanDerWaalsContact C-N 3.33Å; C27-Y29 PolarHBondContact O-N 3.34Å; C27-Y30 PolarHBondContact O-N 2.93Å; C27-M31 PolarHBondContact O-N 2.97Å; C27-M31 VanDerWaalsContact O-N 3.14Å |
| 28 | G | 63.4 | Low | 62.5 | Low | 39 Ų | 39 | 130 Ų | 130 | 40% | 0.402 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.7 | -27.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | S26 R32 | S26-G28 PolarHBondContact O-N 2.86Å; G28-R32 PolarHBondContact O-N 2.94Å |
| 29 | Y | 71.3 | Confident | 64.5 | Low | 148 Ų | 148 | 127.5 Ų | 127.5 | 58% | 0.58 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.2 | -43.6 | 175.4 | -179.7 | -106.6 | 0 | 0 | 0 | 111.1 | S26 C27 R32 I33 | S26-Y29 PolarHBondContact O-N 3.29Å; C27-Y29 VanDerWaalsContact C-N 3.33Å; C27-Y29 PolarHBondContact O-N 3.34Å; Y29-R32 PolarHBondContact O-N 3.2Å; Y29-I33 HydrophobicContact CD1-CD1 3.57Å; Y29-I33 HydrophobicContact CD2-CD1 4.46Å; Y29-I33 HydrophobicContact CE1-CD1 3.16Å; Y29-I33 HydrophobicContact CE1-CG1 4.43Å; Y29-I33 HydrophobicContact CE2-CD1 4.11Å; Y29-I33 HydrophobicContact CG-CD1 4.22Å; Y29-I33 VanDerWaalsContact CZ-CD1 3.46Å; Y29-I33 WeakPolarHBondContact O-CG1 3.45Å; Y29-I33 PolarHBondContact O-N 3.09Å; Y29-I33 VanDerWaalsContact O-N 3.17Å |
| 30 | Y | 72.3 | Confident | 66.6 | Low | 121 Ų | 121 | 122.9 Ų | 122.9 | 48% | 0.475 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.8 | -35.9 | 177.5 | -67.3 | -77.6 | 0 | 0 | 0 | 112.1 | K25 C27 R32 I33 V34 | K25-Y30 HydrophobicContact CB-CE2 4.38Å; C27-Y30 PolarHBondContact O-N 2.93Å; Y30-R32 PolarHBondContact O-N 3.41Å; Y30-I33 PolarHBondContact O-N 3.44Å; Y30-V34 VanDerWaalsContact O-CG2 3.29Å; Y30-V34 WeakPolarHBondContact O-CG2 3.22Å; Y30-V34 PolarHBondContact O-N 2.9Å |
| 31 | M | 71.6 | Confident | 69 | Low | 131 Ų | 131 | 117.7 Ų | 117.7 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63 | -39.1 | 174.9 | -72.1 | -64.4 | -127.7 | 0 | 0 | 113.1 | C27 F35 | C27-M31 PolarHBondContact O-N 2.97Å; C27-M31 VanDerWaalsContact O-N 3.14Å; M31-F35 PolarHBondContact O-N 3.45Å; M31-F35 VanDerWaalsContact O-N 3.11Å |
| 32 | R | 75.9 | Confident | 71.4 | Confident | 208 Ų | 208 | 113.5 Ų | 113.5 | 79% | 0.785 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.3 | -38.6 | 174.9 | -73 | -176.5 | -178.2 | -176.1 | 0.8 | 112.2 | G28 Y29 Y30 F35 F36 | G28-R32 PolarHBondContact O-N 2.94Å; Y29-R32 PolarHBondContact O-N 3.2Å; Y30-R32 PolarHBondContact O-N 3.41Å; R32-F35 PolarHBondContact O-N 3.4Å; R32-F36 PolarHBondContact O-N 3.21Å |
| 33 | I | 78.6 | Confident | 73.7 | Confident | 50 Ų | 50 | 110 Ų | 110 | 26% | 0.256 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65 | -45.4 | 176.8 | -72.2 | 169.5 | 0 | 0 | 0 | 111 | Y29 Y30 F35 F36 F37 | Y29-I33 HydrophobicContact CD1-CD1 3.57Å; Y29-I33 HydrophobicContact CD2-CD1 4.46Å; Y29-I33 HydrophobicContact CE1-CD1 3.16Å; Y29-I33 HydrophobicContact CE1-CG1 4.43Å; Y29-I33 HydrophobicContact CE2-CD1 4.11Å; Y29-I33 HydrophobicContact CG-CD1 4.22Å; Y29-I33 VanDerWaalsContact CZ-CD1 3.46Å; Y29-I33 WeakPolarHBondContact O-CG1 3.45Å; Y29-I33 PolarHBondContact O-N 3.09Å; Y29-I33 VanDerWaalsContact O-N 3.17Å; Y30-I33 PolarHBondContact O-N 3.44Å; I33-F35 VanDerWaalsContact C-N 3.31Å; I33-F35 PolarHBondContact O-N 3.11Å; I33-F36 PolarHBondContact O-N 3.45Å; I33-F37 HydrophobicContact CG2-CD2 3.45Å; I33-F37 VanDerWaalsContact CG2-CD2 3.45Å; I33-F37 HydrophobicContact CG2-CE2 3.34Å; I33-F37 WeakPolarHBondContact O-CD2 3.37Å; I33-F37 PolarHBondContact O-N 2.9Å |
| 34 | V | 79.1 | Confident | 75.5 | Confident | 87 Ų | 87 | 104.2 Ų | 104.2 | 53% | 0.527 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Y30 F36 F37 S38 | Y30-V34 VanDerWaalsContact O-CG2 3.29Å; Y30-V34 WeakPolarHBondContact O-CG2 3.22Å; Y30-V34 PolarHBondContact O-N 2.9Å; V34-F36 VanDerWaalsContact C-N 3.34Å; V34-F36 PolarHBondContact O-N 3.26Å; V34-F37 PolarHBondContact O-N 3.32Å; V34-S38 WeakPolarHBondContact O-CB 3.46Å; V34-S38 PolarHBondContact O-N 3.17Å; V34-S38 PolarHBondContact O-OG 3.24Å; V34-S38 VanDerWaalsContact O-OG 3.09Å |
| 35 | F | 78.2 | Confident | 77.4 | Confident | 164 Ų | 164 | 105.4 Ų | 105.4 | 72% | 0.719 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -36.8 | 177.3 | -152.8 | -91.4 | 0 | 0 | 0 | 112.6 | M31 R32 I33 S39 | M31-F35 PolarHBondContact O-N 3.45Å; M31-F35 VanDerWaalsContact O-N 3.11Å; R32-F35 PolarHBondContact O-N 3.4Å; I33-F35 VanDerWaalsContact C-N 3.31Å; I33-F35 PolarHBondContact O-N 3.11Å; F35-S39 WeakPolarHBondContact O-CB 3.29Å; F35-S39 PolarHBondContact O-N 3.06Å |
| 36 | F | 82.6 | Confident | 78.8 | Confident | 141 Ų | 141 | 101.9 Ų | 101.9 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.3 | -45.1 | 175.3 | -168.2 | -96.1 | 0 | 0 | 0 | 111.7 | R32 I33 V34 S39 L40 | R32-F36 PolarHBondContact O-N 3.21Å; I33-F36 PolarHBondContact O-N 3.45Å; V34-F36 VanDerWaalsContact C-N 3.34Å; V34-F36 PolarHBondContact O-N 3.26Å; F36-S39 PolarHBondContact O-N 3.4Å; F36-L40 HydrophobicContact CD1-CD1 4.41Å; F36-L40 HydrophobicContact CE1-CD1 3.81Å; F36-L40 HydrophobicContact CZ-CD1 4.5Å; F36-L40 VanDerWaalsContact O-CB 3.23Å; F36-L40 WeakPolarHBondContact O-CB 3.43Å; F36-L40 PolarHBondContact O-N 3.45Å |
| 37 | F | 82.6 | Confident | 80.6 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 176.1 | -78.3 | -65.4 | 0 | 0 | 0 | 112.5 | I33 V34 L40 I41 | I33-F37 HydrophobicContact CG2-CD2 3.45Å; I33-F37 VanDerWaalsContact CG2-CD2 3.45Å; I33-F37 HydrophobicContact CG2-CE2 3.34Å; I33-F37 WeakPolarHBondContact O-CD2 3.37Å; I33-F37 PolarHBondContact O-N 2.9Å; V34-F37 PolarHBondContact O-N 3.32Å; F37-L40 PolarHBondContact O-N 3.08Å; F37-I41 WeakPolarHBondContact O-CB 3.5Å; F37-I41 WeakPolarHBondContact O-CD1 3.41Å; F37-I41 WeakPolarHBondContact O-CG1 3.24Å; F37-I41 PolarHBondContact O-N 3.43Å |
| 38 | S | 83.3 | Confident | 81.7 | Confident | 55 Ų | 55 | 100.1 Ų | 100.1 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 174.3 | -66 | 0 | 0 | 0 | 0 | 112.2 | V34 Q42 | V34-S38 WeakPolarHBondContact O-CB 3.46Å; V34-S38 PolarHBondContact O-N 3.17Å; V34-S38 PolarHBondContact O-OG 3.24Å; V34-S38 VanDerWaalsContact O-OG 3.09Å; S38-Q42 WeakPolarHBondContact O-CB 3.2Å; S38-Q42 WeakPolarHBondContact O-CG 3.23Å; S38-Q42 PolarHBondContact O-N 3.4Å |
| 39 | S | 84.9 | Confident | 82.7 | Confident | 67 Ų | 67 | 103.4 Ų | 103.4 | 47% | 0.469 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | F35 F36 Q42 S43 | F35-S39 WeakPolarHBondContact O-CB 3.29Å; F35-S39 PolarHBondContact O-N 3.06Å; F36-S39 PolarHBondContact O-N 3.4Å; S39-Q42 PolarHBondContact O-N 3Å; S39-S43 PolarHBondContact O-N 3.39Å |
| 40 | L | 86.6 | Confident | 83.5 | Confident | 68 Ų | 68 | 99.7 Ų | 99.7 | 36% | 0.356 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.5 | -41.3 | 179 | -169.8 | 146.8 | 0 | 0 | 0 | 112.2 | F36 F37 Q42 S43 L44 | F36-L40 HydrophobicContact CD1-CD1 4.41Å; F36-L40 HydrophobicContact CE1-CD1 3.81Å; F36-L40 HydrophobicContact CZ-CD1 4.5Å; F36-L40 VanDerWaalsContact O-CB 3.23Å; F36-L40 WeakPolarHBondContact O-CB 3.43Å; F36-L40 PolarHBondContact O-N 3.45Å; F37-L40 PolarHBondContact O-N 3.08Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-S43 PolarHBondContact O-N 3.18Å; L40-S43 PolarHBondContact O-OG 2.98Å; L40-L44 HydrophobicContact CD2-CD1 3.65Å; L40-L44 HydrophobicContact CD2-CG 4.5Å; L40-L44 WeakPolarHBondContact O-CB 3.37Å; L40-L44 PolarHBondContact O-N 2.86Å |
| 41 | I | 89.4 | Confident | 83.8 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 173.5 | -67.8 | 163.9 | 0 | 0 | 0 | 109.8 | F37 L44 I45 | F37-I41 WeakPolarHBondContact O-CB 3.5Å; F37-I41 WeakPolarHBondContact O-CD1 3.41Å; F37-I41 WeakPolarHBondContact O-CG1 3.24Å; F37-I41 PolarHBondContact O-N 3.43Å; I41-L44 PolarHBondContact O-N 3.37Å; I41-I45 HydrophobicContact CG2-CD1 3.87Å; I41-I45 WeakPolarHBondContact O-CD1 3.37Å; I41-I45 VanDerWaalsContact O-CG1 3.24Å; I41-I45 WeakPolarHBondContact O-CG1 3.42Å; I41-I45 PolarHBondContact O-N 2.96Å |
| 42 | Q | 88.5 | Confident | 84 | Confident | 121 Ų | 121 | 97.2 Ų | 97.2 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 175.2 | -75.9 | 170.9 | -7.6 | 0 | 0 | 112.4 | S38 S39 L40 I45 I46 | S38-Q42 WeakPolarHBondContact O-CB 3.2Å; S38-Q42 WeakPolarHBondContact O-CG 3.23Å; S38-Q42 PolarHBondContact O-N 3.4Å; S39-Q42 PolarHBondContact O-N 3Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; Q42-I45 PolarHBondContact O-N 3.33Å; Q42-I46 WeakPolarHBondContact O-CG1 3.42Å; Q42-I46 PolarHBondContact O-N 3.37Å |
| 43 | S | 88.8 | Confident | 83.9 | Confident | 60 Ų | 60 | 94.3 Ų | 94.3 | 42% | 0.42 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 177.6 | 86.3 | 0 | 0 | 0 | 0 | 112.2 | S39 L40 I45 I46 V47 | S39-S43 PolarHBondContact O-N 3.39Å; L40-S43 PolarHBondContact O-N 3.18Å; L40-S43 PolarHBondContact O-OG 2.98Å; S43-I45 VanDerWaalsContact C-N 3.32Å; S43-I45 PolarHBondContact O-N 2.89Å; S43-I46 PolarHBondContact O-N 3.37Å; S43-V47 WeakPolarHBondContact O-CG2 3.18Å; S43-V47 PolarHBondContact O-N 3.01Å |
| 44 | L | 88.3 | Confident | 83.6 | Confident | 96 Ų | 96 | 97.2 Ų | 97.2 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -39 | 174.9 | -84.9 | 167.7 | 0 | 0 | 0 | 112.2 | L40 I41 S48 | L40-L44 HydrophobicContact CD2-CD1 3.65Å; L40-L44 HydrophobicContact CD2-CG 4.5Å; L40-L44 WeakPolarHBondContact O-CB 3.37Å; L40-L44 PolarHBondContact O-N 2.86Å; I41-L44 PolarHBondContact O-N 3.37Å; L44-S48 VanDerWaalsContact O-CB 3.3Å; L44-S48 WeakPolarHBondContact O-CB 3.36Å; L44-S48 PolarHBondContact O-N 2.7Å; L44-S48 PolarHBondContact O-OG 3.43Å |
| 45 | I | 89.4 | Confident | 82.7 | Confident | 91 Ų | 91 | 101.8 Ų | 101.8 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 174.6 | -69.4 | 165.2 | 0 | 0 | 0 | 110.3 | I41 Q42 S43 V47 S48 L49 | I41-I45 HydrophobicContact CG2-CD1 3.87Å; I41-I45 WeakPolarHBondContact O-CD1 3.37Å; I41-I45 VanDerWaalsContact O-CG1 3.24Å; I41-I45 WeakPolarHBondContact O-CG1 3.42Å; I41-I45 PolarHBondContact O-N 2.96Å; Q42-I45 PolarHBondContact O-N 3.33Å; S43-I45 VanDerWaalsContact C-N 3.32Å; S43-I45 PolarHBondContact O-N 2.89Å; I45-V47 PolarHBondContact O-N 3.06Å; I45-S48 PolarHBondContact O-N 2.8Å; I45-L49 HydrophobicContact CG2-CD1 3.99Å; I45-L49 HydrophobicContact CG2-CG 4.39Å; I45-L49 WeakPolarHBondContact O-CB 3.36Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 3.09Å |
| 46 | I | 89.6 | Confident | 81.8 | Confident | 105 Ų | 105 | 96.1 Ų | 96.1 | 54% | 0.538 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 177.9 | -66.9 | 164.3 | 0 | 0 | 0 | 110.8 | Q42 S43 S48 L49 V50 | Q42-I46 WeakPolarHBondContact O-CG1 3.42Å; Q42-I46 PolarHBondContact O-N 3.37Å; S43-I46 PolarHBondContact O-N 3.37Å; I46-S48 VanDerWaalsContact C-N 3.32Å; I46-S48 PolarHBondContact O-N 3.45Å; I46-L49 PolarHBondContact O-N 2.94Å; I46-V50 HydrophobicContact CG2-CG2 4.4Å; I46-V50 WeakPolarHBondContact O-CB 3.26Å; I46-V50 VanDerWaalsContact O-CG2 3.27Å; I46-V50 WeakPolarHBondContact O-CG2 3.36Å; I46-V50 PolarHBondContact O-N 3.28Å |
| 47 | V | 88.5 | Confident | 80.4 | Confident | 79 Ų | 79 | 95.8 Ų | 95.8 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | S43 I45 V50 L51 | S43-V47 WeakPolarHBondContact O-CG2 3.18Å; S43-V47 PolarHBondContact O-N 3.01Å; I45-V47 PolarHBondContact O-N 3.06Å; V47-V50 PolarHBondContact O-N 2.91Å; V47-L51 HydrophobicContact CG1-CD1 3.99Å; V47-L51 HydrophobicContact CG1-CG 4.34Å; V47-L51 WeakPolarHBondContact O-CB 3.48Å; V47-L51 VanDerWaalsContact O-CG 3.28Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 2.69Å |
| 48 | S | 84.1 | Confident | 78.9 | Confident | 60 Ų | 60 | 93.9 Ų | 93.9 | 42% | 0.42 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 112 | L44 I45 I46 L51 L52 | L44-S48 VanDerWaalsContact O-CB 3.3Å; L44-S48 WeakPolarHBondContact O-CB 3.36Å; L44-S48 PolarHBondContact O-N 2.7Å; L44-S48 PolarHBondContact O-OG 3.43Å; I45-S48 PolarHBondContact O-N 2.8Å; I46-S48 VanDerWaalsContact C-N 3.32Å; I46-S48 PolarHBondContact O-N 3.45Å; S48-L51 PolarHBondContact O-N 2.99Å; S48-L52 WeakPolarHBondContact O-CB 3.32Å; S48-L52 PolarHBondContact O-N 3.29Å |
| 49 | L | 84.2 | Confident | 77.3 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.3 | -37.8 | 175.8 | -72.5 | 174.1 | 0 | 0 | 0 | 112 | I45 I46 L52 F53 | I45-L49 HydrophobicContact CG2-CD1 3.99Å; I45-L49 HydrophobicContact CG2-CG 4.39Å; I45-L49 WeakPolarHBondContact O-CB 3.36Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 3.09Å; I46-L49 PolarHBondContact O-N 2.94Å; L49-L52 CarbonylContact O-C 3.56Å; L49-L52 PolarHBondContact O-N 2.9Å; L49-F53 VanDerWaalsContact O-CB 3.26Å; L49-F53 WeakPolarHBondContact O-CB 3.46Å; L49-F53 PolarHBondContact O-N 3.37Å |
| 50 | V | 86.7 | Confident | 75.9 | Confident | 70 Ų | 70 | 102.3 Ų | 102.3 | 42% | 0.424 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 111 | I46 V47 L52 F53 I54 | I46-V50 HydrophobicContact CG2-CG2 4.4Å; I46-V50 WeakPolarHBondContact O-CB 3.26Å; I46-V50 VanDerWaalsContact O-CG2 3.27Å; I46-V50 WeakPolarHBondContact O-CG2 3.36Å; I46-V50 PolarHBondContact O-N 3.28Å; V47-V50 PolarHBondContact O-N 2.91Å; V50-L52 VanDerWaalsContact C-N 3.35Å; V50-F53 PolarHBondContact O-N 2.9Å; V50-F53 VanDerWaalsContact O-N 3.09Å; V50-I54 HydrophobicContact CG1-CD1 3.55Å; V50-I54 HydrophobicContact CG1-CG1 4.18Å; V50-I54 WeakPolarHBondContact O-CB 3.37Å; V50-I54 VanDerWaalsContact O-CG1 3.31Å; V50-I54 WeakPolarHBondContact O-CG1 3.3Å; V50-I54 PolarHBondContact O-N 3.45Å |
| 51 | L | 79.4 | Confident | 74.6 | Confident | 84 Ų | 84 | 102.8 Ų | 102.8 | 44% | 0.44 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 172.2 | -71.7 | 172.7 | 0 | 0 | 0 | 110.9 | V47 S48 F53 Y55 | V47-L51 HydrophobicContact CG1-CD1 3.99Å; V47-L51 HydrophobicContact CG1-CG 4.34Å; V47-L51 WeakPolarHBondContact O-CB 3.48Å; V47-L51 VanDerWaalsContact O-CG 3.28Å; V47-L51 WeakPolarHBondContact O-CG 3.36Å; V47-L51 PolarHBondContact O-N 2.69Å; S48-L51 PolarHBondContact O-N 2.99Å; L51-F53 VanDerWaalsContact C-N 3.26Å; L51-F53 PolarHBondContact O-N 3.26Å; L51-Y55 HydrophobicContact CB-CD2 4.36Å; L51-Y55 HydrophobicContact CD2-CD2 3.78Å; L51-Y55 HydrophobicContact CD2-CE2 3.52Å; L51-Y55 WeakPolarHBondContact O-CA 3.34Å; L51-Y55 WeakPolarHBondContact O-CB 3.35Å; L51-Y55 WeakPolarHBondContact O-CD2 3.48Å; L51-Y55 PolarHBondContact O-N 3.35Å |
| 52 | L | 75.9 | Confident | 73.2 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.7 | -23.8 | 171 | -88 | 153.4 | 0 | 0 | 0 | 113.3 | S48 L49 V50 G56 | S48-L52 WeakPolarHBondContact O-CB 3.32Å; S48-L52 PolarHBondContact O-N 3.29Å; L49-L52 CarbonylContact O-C 3.56Å; L49-L52 PolarHBondContact O-N 2.9Å; V50-L52 VanDerWaalsContact C-N 3.35Å; L52-G56 CarbonylContact O-C 3.48Å; L52-G56 VanDerWaalsContact O-C 3.26Å; L52-G56 WeakPolarHBondContact O-CA 3.47Å; L52-G56 PolarHBondContact O-N 3.4Å |
| 53 | F | 74 | Confident | 72 | Confident | 148 Ų | 148 | 100.6 Ų | 100.6 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -84.3 | -39 | 177.4 | -168.1 | -98.6 | 0 | 0 | 0 | 111.7 | L49 V50 L51 Q57 | L49-F53 VanDerWaalsContact O-CB 3.26Å; L49-F53 WeakPolarHBondContact O-CB 3.46Å; L49-F53 PolarHBondContact O-N 3.37Å; V50-F53 PolarHBondContact O-N 2.9Å; V50-F53 VanDerWaalsContact O-N 3.09Å; L51-F53 VanDerWaalsContact C-N 3.26Å; L51-F53 PolarHBondContact O-N 3.26Å; F53-Q57 PolarHBondContact O-N 2.86Å |
| 54 | I | 71.5 | Confident | 70.9 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78.6 | -43.3 | 178.8 | -65.7 | 173.6 | 0 | 0 | 0 | 111 | V50 | V50-I54 HydrophobicContact CG1-CD1 3.55Å; V50-I54 HydrophobicContact CG1-CG1 4.18Å; V50-I54 WeakPolarHBondContact O-CB 3.37Å; V50-I54 VanDerWaalsContact O-CG1 3.31Å; V50-I54 WeakPolarHBondContact O-CG1 3.3Å; V50-I54 PolarHBondContact O-N 3.45Å |
| 55 | Y | 61 | Low | 70.1 | Confident | 184 Ų | 184 | 103.2 Ų | 103.2 | 72% | 0.722 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -16.9 | -179.2 | -63.1 | -83.1 | 0 | 0 | 0 | 113.7 | L51 | L51-Y55 HydrophobicContact CB-CD2 4.36Å; L51-Y55 HydrophobicContact CD2-CD2 3.78Å; L51-Y55 HydrophobicContact CD2-CE2 3.52Å; L51-Y55 WeakPolarHBondContact O-CA 3.34Å; L51-Y55 WeakPolarHBondContact O-CB 3.35Å; L51-Y55 WeakPolarHBondContact O-CD2 3.48Å; L51-Y55 PolarHBondContact O-N 3.35Å |
| 56 | G | 57.8 | Low | 69.4 | Low | 44 Ų | 44 | 107.2 Ų | 107.2 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -101.6 | 1.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L52 P58 | L52-G56 CarbonylContact O-C 3.48Å; L52-G56 VanDerWaalsContact O-C 3.26Å; L52-G56 WeakPolarHBondContact O-CA 3.47Å; L52-G56 PolarHBondContact O-N 3.4Å; G56-P58 WeakPolarHBondContact O-CD 3.04Å |
| 57 | Q | 53.5 | Low | 69 | Low | 135 Ų | 135 | 106.6 Ų | 106.6 | 63% | 0.631 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -67.9 | 108.9 | 143.8 | -85.3 | -144 | -19.1 | 0 | 0 | 105.9 | F53 E59 | F53-Q57 PolarHBondContact O-N 2.86Å; Q57-E59 PolarHBondContact O-N 3.44Å |
| 58 | P | 51.1 | Low | 68.7 | Low | 76 Ų | 76 | 108.5 Ų | 108.5 | 49% | 0.494 | 55% | 0.552 | S | S | . | * | trans | -60.7 | 137.8 | 178.4 | 28.6 | -33 | 0 | 0 | 0 | 107.3 | G56 K60 | G56-P58 WeakPolarHBondContact O-CD 3.04Å; P58-K60 HydrophobicContact CB-CB 3.94Å; P58-K60 HydrophobicContact CB-CD 3.67Å; P58-K60 HydrophobicContact CB-CG 3.68Å; P58-K60 HydrophobicContact CG-CB 3.93Å; P58-K60 HydrophobicContact CG-CD 3.55Å; P58-K60 HydrophobicContact CG-CG 3.96Å; P58-K60 PolarHBondContact O-N 3Å | ||
| 59 | E | 51 | Low | 68.6 | Low | 148 Ų | 148 | 111.9 Ų | 111.9 | 69% | 0.692 | 56% | 0.559 | S | S | * | * | trans | -60.6 | 37.6 | 166.4 | -69.2 | 174.2 | 135.8 | 0 | 0 | 112.4 | Q57 S61 | Q57-E59 PolarHBondContact O-N 3.44Å; E59-S61 PolarHBondContact O-N 2.87Å | ||
| 60 | K | 54.7 | Low | 68.8 | Low | 151 Ų | 151 | 112.7 Ų | 112.7 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 28.1 | -170.1 | -98.4 | -179.9 | -160.6 | -179.1 | 0 | 114.2 | P58 | P58-K60 HydrophobicContact CB-CB 3.94Å; P58-K60 HydrophobicContact CB-CD 3.67Å; P58-K60 HydrophobicContact CB-CG 3.68Å; P58-K60 HydrophobicContact CG-CB 3.93Å; P58-K60 HydrophobicContact CG-CD 3.55Å; P58-K60 HydrophobicContact CG-CG 3.96Å; P58-K60 PolarHBondContact O-N 3Å |
| 61 | S | 59 | Low | 68.8 | Low | 78 Ų | 78 | 114.9 Ų | 114.9 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -143.7 | -49.6 | 168.1 | -158.8 | 0 | 0 | 0 | 0 | 113.3 | E59 E65 | E59-S61 PolarHBondContact O-N 2.87Å; S61-E65 WeakPolarHBondContact O-CB 3.36Å; S61-E65 PolarHBondContact O-N 3.44Å |
| 62 | A | 61.2 | Low | 69.4 | Low | 61 Ų | 61 | 116.6 Ų | 116.6 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -80.3 | -42.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R66 | A62-R66 WeakPolarHBondContact O-CB 3.17Å; A62-R66 WeakPolarHBondContact O-CD 3.37Å; A62-R66 WeakPolarHBondContact O-CG 3.5Å; A62-R66 PolarHBondContact O-N 3.31Å |
| 63 | E | 62.6 | Low | 70.1 | Confident | 109 Ų | 109 | 116 Ų | 116 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -84.7 | -42.6 | -176.5 | -64.3 | -155.4 | 156.5 | 0 | 0 | 112.4 | E65 R66 V67 | E63-E65 VanDerWaalsContact C-N 3.34Å; E63-E65 PolarHBondContact O-N 2.72Å; E63-R66 WeakPolarHBondContact O-CB 3.19Å; E63-R66 PolarHBondContact O-N 2.87Å; E63-V67 WeakPolarHBondContact O-CG2 3.19Å; E63-V67 PolarHBondContact O-N 3.25Å |
| 64 | E | 66.1 | Low | 71.1 | Confident | 84 Ų | 84 | 115.6 Ų | 115.6 | 39% | 0.393 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.9 | -35 | 177.5 | -158.3 | -174.4 | 148.3 | 0 | 0 | 112.2 | V67 K68 | E64-V67 PolarHBondContact O-N 2.88Å; E64-K68 WeakPolarHBondContact O-CB 3.4Å; E64-K68 VanDerWaalsContact O-CG 3.32Å; E64-K68 WeakPolarHBondContact O-CG 3.4Å; E64-K68 PolarHBondContact O-N 3.49Å; E64-K68 VanDerWaalsContact OE1-CE 3.31Å; E64-K68 WeakPolarHBondContact OE1-CE 3.43Å; E64-K68 IonicContact OE1-NZ 3.28Å; E64-K68 PolarHBondContact OE1-NZ 3.06Å |
| 65 | E | 71.1 | Confident | 72.1 | Confident | 126 Ų | 126 | 114.7 Ų | 114.7 | 59% | 0.589 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69 | -38.4 | 173 | -171.7 | -179.9 | 172.6 | 0 | 0 | 111.7 | S61 E63 K68 K69 | S61-E65 WeakPolarHBondContact O-CB 3.36Å; S61-E65 PolarHBondContact O-N 3.44Å; E63-E65 VanDerWaalsContact C-N 3.34Å; E63-E65 PolarHBondContact O-N 2.72Å; E65-K68 PolarHBondContact O-N 2.89Å; E65-K69 VanDerWaalsContact O-CB 3.26Å; E65-K69 WeakPolarHBondContact O-CB 3.18Å; E65-K69 PolarHBondContact O-N 3.21Å |
| 66 | R | 74.9 | Confident | 73.7 | Confident | 175 Ų | 175 | 112.4 Ų | 112.4 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.2 | -43.1 | 173 | -80.6 | 173.9 | -179.5 | 166.2 | 1.7 | 111.6 | A62 E63 K69 L70 | A62-R66 WeakPolarHBondContact O-CB 3.17Å; A62-R66 WeakPolarHBondContact O-CD 3.37Å; A62-R66 WeakPolarHBondContact O-CG 3.5Å; A62-R66 PolarHBondContact O-N 3.31Å; E63-R66 WeakPolarHBondContact O-CB 3.19Å; E63-R66 PolarHBondContact O-N 2.87Å; R66-K69 PolarHBondContact O-N 3.38Å; R66-L70 WeakPolarHBondContact O-CB 3.28Å; R66-L70 PolarHBondContact O-N 2.99Å |
| 67 | V | 79.9 | Confident | 75.3 | Confident | 92 Ų | 92 | 115.9 Ų | 115.9 | 56% | 0.558 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.7 | -46.1 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | E63 E64 K69 L70 E71 | E63-V67 WeakPolarHBondContact O-CG2 3.19Å; E63-V67 PolarHBondContact O-N 3.25Å; E64-V67 PolarHBondContact O-N 2.88Å; V67-K69 VanDerWaalsContact C-N 3.33Å; V67-K69 PolarHBondContact O-N 3.44Å; V67-L70 WeakPolarHBondContact O-CB 2.85Å; V67-L70 PolarHBondContact O-N 3.45Å; V67-E71 WeakPolarHBondContact O-CB 3.26Å; V67-E71 PolarHBondContact O-N 3.36Å |
| 68 | K | 82.5 | Confident | 77.2 | Confident | 119 Ų | 119 | 112 Ų | 112 | 52% | 0.517 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.7 | -39.5 | 175.8 | -76.1 | 174.7 | -175.3 | 163.7 | 0 | 112.5 | E64 E65 E71 L72 | E64-K68 WeakPolarHBondContact O-CB 3.4Å; E64-K68 VanDerWaalsContact O-CG 3.32Å; E64-K68 WeakPolarHBondContact O-CG 3.4Å; E64-K68 PolarHBondContact O-N 3.49Å; E64-K68 VanDerWaalsContact OE1-CE 3.31Å; E64-K68 WeakPolarHBondContact OE1-CE 3.43Å; E64-K68 IonicContact OE1-NZ 3.28Å; E64-K68 PolarHBondContact OE1-NZ 3.06Å; E65-K68 PolarHBondContact O-N 2.89Å; K68-E71 PolarHBondContact O-N 2.91Å; K68-L72 WeakPolarHBondContact O-CB 3.31Å; K68-L72 PolarHBondContact O-N 2.8Å |
| 69 | K | 83.4 | Confident | 79.2 | Confident | 131 Ų | 131 | 111.1 Ų | 111.1 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -42.6 | 175 | -171.4 | 178.6 | 179.1 | -177.1 | 0 | 111.3 | E65 R66 V67 E71 L72 E73 | E65-K69 VanDerWaalsContact O-CB 3.26Å; E65-K69 WeakPolarHBondContact O-CB 3.18Å; E65-K69 PolarHBondContact O-N 3.21Å; R66-K69 PolarHBondContact O-N 3.38Å; V67-K69 VanDerWaalsContact C-N 3.33Å; V67-K69 PolarHBondContact O-N 3.44Å; K69-E71 VanDerWaalsContact C-N 3.34Å; K69-L72 PolarHBondContact O-N 3.11Å; K69-E73 VanDerWaalsContact CE-OE1 3.27Å; K69-E73 WeakPolarHBondContact CE-OE1 3.29Å; K69-E73 WeakPolarHBondContact O-CB 3.39Å; K69-E73 WeakPolarHBondContact O-CG 3.27Å; K69-E73 PolarHBondContact O-N 2.92Å |
| 70 | L | 87.2 | Confident | 81.2 | Confident | 125 Ų | 125 | 107.7 Ų | 107.7 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 176.5 | -133.8 | 78.6 | 0 | 0 | 0 | 111.5 | R66 V67 E73 F74 | R66-L70 WeakPolarHBondContact O-CB 3.28Å; R66-L70 PolarHBondContact O-N 2.99Å; V67-L70 WeakPolarHBondContact O-CB 2.85Å; V67-L70 PolarHBondContact O-N 3.45Å; L70-E73 PolarHBondContact O-N 3.16Å; L70-F74 VanDerWaalsContact O-CB 3.24Å; L70-F74 WeakPolarHBondContact O-CB 3.48Å; L70-F74 PolarHBondContact O-N 3.49Å |
| 71 | E | 87.1 | Confident | 83 | Confident | 116 Ų | 116 | 105.3 Ų | 105.3 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 177.4 | -172.8 | 176 | -175.1 | 0 | 0 | 111.4 | V67 K68 K69 F74 N75 | V67-E71 WeakPolarHBondContact O-CB 3.26Å; V67-E71 PolarHBondContact O-N 3.36Å; K68-E71 PolarHBondContact O-N 2.91Å; K69-E71 VanDerWaalsContact C-N 3.34Å; E71-F74 PolarHBondContact O-N 3.36Å; E71-N75 WeakPolarHBondContact O-CB 3.42Å; E71-N75 VanDerWaalsContact O-CG 3.24Å; E71-N75 PolarHBondContact O-N 3.24Å; E71-N75 PolarHBondContact O-ND2 3.02Å; E71-N75 VanDerWaalsContact O-ND2 3.13Å |
| 72 | L | 92.4 | Very high | 84.6 | Confident | 120 Ų | 120 | 107.2 Ų | 107.2 | 63% | 0.628 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -42.8 | 176.1 | -168.8 | 142.8 | 0 | 0 | 0 | 112 | K68 K69 N75 K76 | K68-L72 WeakPolarHBondContact O-CB 3.31Å; K68-L72 PolarHBondContact O-N 2.8Å; K69-L72 PolarHBondContact O-N 3.11Å; L72-N75 PolarHBondContact O-N 2.83Å; L72-K76 WeakPolarHBondContact O-CB 3.37Å; L72-K76 PolarHBondContact O-N 3.46Å |
| 73 | E | 91.2 | Very high | 86.2 | Confident | 104 Ų | 104 | 108.3 Ų | 108.3 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 174.7 | -75.3 | -178.3 | -172.8 | 0 | 0 | 111.7 | K69 L70 K76 L77 | K69-E73 VanDerWaalsContact CE-OE1 3.27Å; K69-E73 WeakPolarHBondContact CE-OE1 3.29Å; K69-E73 WeakPolarHBondContact O-CB 3.39Å; K69-E73 WeakPolarHBondContact O-CG 3.27Å; K69-E73 PolarHBondContact O-N 2.92Å; L70-E73 PolarHBondContact O-N 3.16Å; E73-K76 PolarHBondContact O-N 3.46Å; E73-L77 VanDerWaalsContact O-CB 3.32Å; E73-L77 WeakPolarHBondContact O-CB 3.45Å; E73-L77 PolarHBondContact O-N 3.24Å |
| 74 | F | 93.8 | Very high | 87.6 | Confident | 139 Ų | 139 | 108.2 Ų | 108.2 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.7 | -46.3 | 176 | -178.9 | -95.7 | 0 | 0 | 0 | 112 | L70 E71 K76 L77 S78 | L70-F74 VanDerWaalsContact O-CB 3.24Å; L70-F74 WeakPolarHBondContact O-CB 3.48Å; L70-F74 PolarHBondContact O-N 3.49Å; E71-F74 PolarHBondContact O-N 3.36Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.92Å; F74-L77 PolarHBondContact O-N 2.88Å; F74-S78 VanDerWaalsContact O-CB 3.3Å; F74-S78 WeakPolarHBondContact O-CB 3.49Å; F74-S78 PolarHBondContact O-N 3.32Å |
| 75 | N | 92.4 | Very high | 88.8 | Confident | 91 Ų | 91 | 107.9 Ų | 107.9 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 177.8 | -75.2 | -32 | 0 | 0 | 0 | 111.7 | E71 L72 S78 A79 | E71-N75 WeakPolarHBondContact O-CB 3.42Å; E71-N75 VanDerWaalsContact O-CG 3.24Å; E71-N75 PolarHBondContact O-N 3.24Å; E71-N75 PolarHBondContact O-ND2 3.02Å; E71-N75 VanDerWaalsContact O-ND2 3.13Å; L72-N75 PolarHBondContact O-N 2.83Å; N75-S78 PolarHBondContact O-N 3.25Å; N75-A79 PolarHBondContact O-N 3.38Å |
| 76 | K | 94.8 | Very high | 89.9 | Confident | 136 Ų | 136 | 108.7 Ų | 108.7 | 59% | 0.591 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -48.9 | 174 | -174.9 | -179.6 | 177.8 | -176.7 | 0 | 111.5 | L72 E73 F74 S78 A79 D80 | L72-K76 WeakPolarHBondContact O-CB 3.37Å; L72-K76 PolarHBondContact O-N 3.46Å; E73-K76 PolarHBondContact O-N 3.46Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.92Å; K76-S78 VanDerWaalsContact C-N 3.29Å; K76-S78 PolarHBondContact O-N 3.49Å; K76-A79 PolarHBondContact O-N 2.85Å; K76-D80 PolarHBondContact O-N 3.39Å |
| 77 | L | 92.4 | Very high | 90.8 | Very high | 117 Ų | 117 | 104.6 Ų | 104.6 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -36.6 | -180 | -168.8 | 66.6 | 0 | 0 | 0 | 111.9 | E73 F74 D80 N81 | E73-L77 VanDerWaalsContact O-CB 3.32Å; E73-L77 WeakPolarHBondContact O-CB 3.45Å; E73-L77 PolarHBondContact O-N 3.24Å; F74-L77 PolarHBondContact O-N 2.88Å; L77-D80 PolarHBondContact O-N 2.88Å; L77-N81 VanDerWaalsContact O-CB 3.3Å; L77-N81 WeakPolarHBondContact O-CB 3.45Å; L77-N81 PolarHBondContact O-N 3.37Å |
| 78 | S | 92.8 | Very high | 91.4 | Very high | 55 Ų | 55 | 108 Ų | 108 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 174.3 | -175 | 0 | 0 | 0 | 0 | 111.6 | F74 N75 K76 D80 N81 M82 | F74-S78 VanDerWaalsContact O-CB 3.3Å; F74-S78 WeakPolarHBondContact O-CB 3.49Å; F74-S78 PolarHBondContact O-N 3.32Å; N75-S78 PolarHBondContact O-N 3.25Å; K76-S78 VanDerWaalsContact C-N 3.29Å; K76-S78 PolarHBondContact O-N 3.49Å; S78-D80 PolarHBondContact O-N 2.78Å; S78-N81 PolarHBondContact O-N 2.87Å; S78-M82 WeakPolarHBondContact O-CG 3.22Å; S78-M82 PolarHBondContact O-N 3.39Å |
| 79 | A | 93 | Very high | 92 | Very high | 56 Ų | 56 | 107.2 Ų | 107.2 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N75 K76 N81 M82 N83 | N75-A79 PolarHBondContact O-N 3.38Å; K76-A79 PolarHBondContact O-N 2.85Å; A79-N81 PolarHBondContact O-N 2.82Å; A79-M82 PolarHBondContact O-N 2.8Å; A79-N83 PolarHBondContact O-N 3.28Å |
| 80 | D | 92.9 | Very high | 92.5 | Very high | 77 Ų | 77 | 105.9 Ų | 105.9 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.5 | -72.6 | -20.1 | 0 | 0 | 0 | 111.2 | K76 L77 S78 N83 L84 | K76-D80 PolarHBondContact O-N 3.39Å; L77-D80 PolarHBondContact O-N 2.88Å; S78-D80 PolarHBondContact O-N 2.78Å; D80-N83 PolarHBondContact O-N 2.83Å; D80-L84 WeakPolarHBondContact O-CB 3.21Å; D80-L84 WeakPolarHBondContact O-CG 3.43Å; D80-L84 PolarHBondContact O-N 2.88Å |
| 81 | N | 92.8 | Very high | 92.7 | Very high | 101 Ų | 101 | 105.1 Ų | 105.1 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 177.8 | -159.4 | -11.9 | 0 | 0 | 0 | 112.1 | L77 S78 A79 N83 T85 | L77-N81 VanDerWaalsContact O-CB 3.3Å; L77-N81 WeakPolarHBondContact O-CB 3.45Å; L77-N81 PolarHBondContact O-N 3.37Å; S78-N81 PolarHBondContact O-N 2.87Å; A79-N81 PolarHBondContact O-N 2.82Å; N81-N83 VanDerWaalsContact C-N 3.35Å; N81-T85 WeakPolarHBondContact O-CB 3.38Å; N81-T85 PolarHBondContact O-N 2.99Å; N81-T85 PolarHBondContact O-OG1 3.27Å |
| 82 | M | 93.1 | Very high | 93 | Very high | 117 Ų | 117 | 101.5 Ų | 101.5 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.3 | -41.7 | 171.5 | -73 | -173.8 | 72.5 | 0 | 0 | 111.9 | S78 A79 T85 K86 | S78-M82 WeakPolarHBondContact O-CG 3.22Å; S78-M82 PolarHBondContact O-N 3.39Å; A79-M82 PolarHBondContact O-N 2.8Å; M82-T85 PolarHBondContact O-N 3.09Å; M82-K86 WeakPolarHBondContact O-CG 3.19Å; M82-K86 PolarHBondContact O-N 2.78Å |
| 83 | N | 93.4 | Very high | 93 | Very high | 84 Ų | 84 | 98.8 Ų | 98.8 | 45% | 0.449 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 178.7 | -166.4 | 24.5 | 0 | 0 | 0 | 111.9 | A79 D80 N81 T85 K86 Q87 | A79-N83 PolarHBondContact O-N 3.28Å; D80-N83 PolarHBondContact O-N 2.83Å; N81-N83 VanDerWaalsContact C-N 3.35Å; N83-T85 VanDerWaalsContact C-N 3.26Å; N83-T85 PolarHBondContact O-N 3.31Å; N83-K86 WeakPolarHBondContact O-CB 3.31Å; N83-K86 PolarHBondContact O-N 2.79Å; N83-K86 VanDerWaalsContact O-N 3.12Å; N83-Q87 WeakPolarHBondContact O-CG 3.31Å; N83-Q87 PolarHBondContact O-N 3.44Å |
| 84 | L | 92.6 | Very high | 93.1 | Very high | 108 Ų | 108 | 99.4 Ų | 99.4 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.8 | -38.2 | 174.1 | -73.3 | 172.6 | 0 | 0 | 0 | 111.8 | D80 Q87 K88 | D80-L84 WeakPolarHBondContact O-CB 3.21Å; D80-L84 WeakPolarHBondContact O-CG 3.43Å; D80-L84 PolarHBondContact O-N 2.88Å; L84-Q87 PolarHBondContact O-N 2.88Å; L84-K88 WeakPolarHBondContact O-CB 3.02Å; L84-K88 PolarHBondContact O-N 2.76Å |
| 85 | T | 91.1 | Very high | 93 | Very high | 76 Ų | 76 | 98.1 Ų | 98.1 | 47% | 0.466 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.1 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | N81 M82 N83 K88 V89 | N81-T85 WeakPolarHBondContact O-CB 3.38Å; N81-T85 PolarHBondContact O-N 2.99Å; N81-T85 PolarHBondContact O-OG1 3.27Å; M82-T85 PolarHBondContact O-N 3.09Å; N83-T85 VanDerWaalsContact C-N 3.26Å; N83-T85 PolarHBondContact O-N 3.31Å; T85-K88 PolarHBondContact O-N 3.38Å; T85-V89 WeakPolarHBondContact O-CG2 3.49Å; T85-V89 PolarHBondContact O-N 3.15Å; T85-V89 VanDerWaalsContact O-N 3.1Å |
| 86 | K | 94.3 | Very high | 93 | Very high | 143 Ų | 143 | 96.7 Ų | 96.7 | 62% | 0.622 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 174.5 | -72.2 | 177.9 | 179.4 | 179.3 | 0 | 112 | M82 N83 K88 V89 E90 | M82-K86 WeakPolarHBondContact O-CG 3.19Å; M82-K86 PolarHBondContact O-N 2.78Å; N83-K86 WeakPolarHBondContact O-CB 3.31Å; N83-K86 PolarHBondContact O-N 2.79Å; N83-K86 VanDerWaalsContact O-N 3.12Å; K86-K88 VanDerWaalsContact C-N 3.3Å; K86-K88 PolarHBondContact O-N 3.33Å; K86-V89 PolarHBondContact O-N 2.92Å; K86-V89 VanDerWaalsContact O-N 3.16Å; K86-E90 PolarHBondContact O-N 3.34Å |
| 87 | Q | 92.9 | Very high | 92.9 | Very high | 89 Ų | 89 | 92.7 Ų | 92.7 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 177.5 | -71.1 | -177.9 | 9.5 | 0 | 0 | 112 | N83 L84 V89 E90 L91 | N83-Q87 WeakPolarHBondContact O-CG 3.31Å; N83-Q87 PolarHBondContact O-N 3.44Å; L84-Q87 PolarHBondContact O-N 2.88Å; Q87-V89 VanDerWaalsContact C-N 3.34Å; Q87-V89 PolarHBondContact O-N 2.85Å; Q87-E90 PolarHBondContact O-N 3.33Å; Q87-L91 VanDerWaalsContact O-CB 3.29Å; Q87-L91 WeakPolarHBondContact O-CB 3.46Å; Q87-L91 VanDerWaalsContact O-CG 3.25Å; Q87-L91 WeakPolarHBondContact O-CG 3.39Å; Q87-L91 PolarHBondContact O-N 3.08Å |
| 88 | K | 93.4 | Very high | 92.8 | Very high | 164 Ų | 164 | 90.4 Ų | 90.4 | 71% | 0.713 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 175.3 | -178.7 | -177.9 | 176.9 | -176.6 | 0 | 111.8 | L84 T85 K86 G92 | L84-K88 WeakPolarHBondContact O-CB 3.02Å; L84-K88 PolarHBondContact O-N 2.76Å; T85-K88 PolarHBondContact O-N 3.38Å; K86-K88 VanDerWaalsContact C-N 3.3Å; K86-K88 PolarHBondContact O-N 3.33Å; K88-G92 PolarHBondContact O-N 3.47Å |
| 89 | V | 94.3 | Very high | 92.7 | Very high | 103 Ų | 103 | 92.7 Ų | 92.7 | 62% | 0.624 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.9 | -44.7 | 177 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | T85 K86 Q87 G92 A93 | T85-V89 WeakPolarHBondContact O-CG2 3.49Å; T85-V89 PolarHBondContact O-N 3.15Å; T85-V89 VanDerWaalsContact O-N 3.1Å; K86-V89 PolarHBondContact O-N 2.92Å; K86-V89 VanDerWaalsContact O-N 3.16Å; Q87-V89 VanDerWaalsContact C-N 3.34Å; Q87-V89 PolarHBondContact O-N 2.85Å; V89-G92 PolarHBondContact O-N 3.49Å; V89-A93 PolarHBondContact O-N 3.2Å |
| 90 | E | 94 | Very high | 92.6 | Very high | 103 Ų | 103 | 93 Ų | 93 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 178.7 | -169.5 | -169.8 | 153.6 | 0 | 0 | 112.1 | K86 Q87 G92 A93 K94 | K86-E90 PolarHBondContact O-N 3.34Å; Q87-E90 PolarHBondContact O-N 3.33Å; E90-G92 VanDerWaalsContact C-N 3.31Å; E90-G92 PolarHBondContact O-N 3.47Å; E90-A93 WeakPolarHBondContact O-CB 3.3Å; E90-A93 PolarHBondContact O-N 3Å; E90-K94 PolarHBondContact O-N 2.91Å; E90-K94 VanDerWaalsContact OE1-CE 3.3Å; E90-K94 WeakPolarHBondContact OE1-CE 3.31Å; E90-K94 IonicContact OE1-NZ 3.32Å; E90-K94 PolarHBondContact OE1-NZ 3.33Å |
| 91 | L | 91.8 | Very high | 92.5 | Very high | 108 Ų | 108 | 95.5 Ų | 95.5 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 175.5 | -71.7 | 170.8 | 0 | 0 | 0 | 111.4 | Q87 A93 K94 L95 | Q87-L91 VanDerWaalsContact O-CB 3.29Å; Q87-L91 WeakPolarHBondContact O-CB 3.46Å; Q87-L91 VanDerWaalsContact O-CG 3.25Å; Q87-L91 WeakPolarHBondContact O-CG 3.39Å; Q87-L91 PolarHBondContact O-N 3.08Å; L91-A93 VanDerWaalsContact C-N 3.35Å; L91-K94 PolarHBondContact O-N 3.24Å; L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 PolarHBondContact O-N 2.73Å |
| 92 | G | 93.5 | Very high | 92.5 | Very high | 40 Ų | 40 | 97.3 Ų | 97.3 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K88 V89 E90 L95 A96 | K88-G92 PolarHBondContact O-N 3.47Å; V89-G92 PolarHBondContact O-N 3.49Å; E90-G92 VanDerWaalsContact C-N 3.31Å; E90-G92 PolarHBondContact O-N 3.47Å; G92-L95 PolarHBondContact O-N 2.95Å; G92-A96 WeakPolarHBondContact O-CB 3.38Å; G92-A96 PolarHBondContact O-N 3.3Å |
| 93 | A | 92.4 | Very high | 92.4 | Very high | 63 Ų | 63 | 94.5 Ų | 94.5 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V89 E90 L91 L95 A96 A97 | V89-A93 PolarHBondContact O-N 3.2Å; E90-A93 WeakPolarHBondContact O-CB 3.3Å; E90-A93 PolarHBondContact O-N 3Å; L91-A93 VanDerWaalsContact C-N 3.35Å; A93-L95 VanDerWaalsContact C-N 3.32Å; A93-L95 PolarHBondContact O-N 3.44Å; A93-A96 PolarHBondContact O-N 3.41Å; A93-A97 PolarHBondContact O-N 2.67Å |
| 94 | K | 93.5 | Very high | 92.2 | Very high | 118 Ų | 118 | 93 Ų | 93 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 175 | -75.1 | 176.8 | -178 | 164.6 | 0 | 111.9 | E90 L91 A97 S98 | E90-K94 PolarHBondContact O-N 2.91Å; E90-K94 VanDerWaalsContact OE1-CE 3.3Å; E90-K94 WeakPolarHBondContact OE1-CE 3.31Å; E90-K94 IonicContact OE1-NZ 3.32Å; E90-K94 PolarHBondContact OE1-NZ 3.33Å; L91-K94 PolarHBondContact O-N 3.24Å; K94-A97 PolarHBondContact O-N 3.31Å; K94-S98 WeakPolarHBondContact O-CB 3.38Å; K94-S98 PolarHBondContact O-N 3.12Å |
| 95 | L | 91.8 | Very high | 92 | Very high | 112 Ų | 112 | 92.9 Ų | 92.9 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | 176.8 | -171.8 | 70.9 | 0 | 0 | 0 | 111.4 | L91 G92 A93 A97 S98 L99 | L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 PolarHBondContact O-N 2.73Å; G92-L95 PolarHBondContact O-N 2.95Å; A93-L95 VanDerWaalsContact C-N 3.32Å; A93-L95 PolarHBondContact O-N 3.44Å; L95-A97 VanDerWaalsContact C-N 3.35Å; L95-A97 PolarHBondContact O-N 3.39Å; L95-S98 PolarHBondContact O-N 2.89Å; L95-L99 HydrophobicContact CG-CD1 4.34Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 WeakPolarHBondContact O-CG 3.39Å; L95-L99 PolarHBondContact O-N 3.32Å |
| 96 | A | 92.8 | Very high | 91.9 | Very high | 60 Ų | 60 | 95.3 Ų | 95.3 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G92 A93 L99 A100 | G92-A96 WeakPolarHBondContact O-CB 3.38Å; G92-A96 PolarHBondContact O-N 3.3Å; A93-A96 PolarHBondContact O-N 3.41Å; A96-L99 PolarHBondContact O-N 3.05Å; A96-A100 PolarHBondContact O-N 3.47Å |
| 97 | A | 91.9 | Very high | 91.5 | Very high | 53 Ų | 53 | 95.5 Ų | 95.5 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A93 K94 L95 L99 A100 E101 | A93-A97 PolarHBondContact O-N 2.67Å; K94-A97 PolarHBondContact O-N 3.31Å; L95-A97 VanDerWaalsContact C-N 3.35Å; L95-A97 PolarHBondContact O-N 3.39Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 2.65Å; A97-A100 WeakPolarHBondContact O-CB 3.29Å; A97-A100 PolarHBondContact O-N 2.91Å; A97-A100 VanDerWaalsContact O-N 3.12Å; A97-E101 PolarHBondContact O-N 3.49Å |
| 98 | S | 90.6 | Very high | 91.2 | Very high | 68 Ų | 68 | 96.4 Ų | 96.4 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 177.7 | -176.9 | 0 | 0 | 0 | 0 | 112.6 | K94 L95 E101 K102 | K94-S98 WeakPolarHBondContact O-CB 3.38Å; K94-S98 PolarHBondContact O-N 3.12Å; L95-S98 PolarHBondContact O-N 2.89Å; S98-E101 PolarHBondContact O-N 3.36Å; S98-K102 WeakPolarHBondContact O-CB 3.31Å; S98-K102 PolarHBondContact O-N 2.93Å |
| 99 | L | 90.6 | Very high | 90.8 | Very high | 103 Ų | 103 | 94 Ų | 94 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 173.4 | -76.6 | 171.7 | 0 | 0 | 0 | 112 | L95 A96 A97 K102 A103 | L95-L99 HydrophobicContact CG-CD1 4.34Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 WeakPolarHBondContact O-CG 3.39Å; L95-L99 PolarHBondContact O-N 3.32Å; A96-L99 PolarHBondContact O-N 3.05Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 2.65Å; L99-K102 PolarHBondContact O-N 3.47Å; L99-A103 WeakPolarHBondContact O-CB 3.25Å; L99-A103 PolarHBondContact O-N 2.9Å |
| 100 | A | 91.6 | Very high | 90.1 | Very high | 64 Ų | 64 | 91.3 Ų | 91.3 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A96 A97 A103 A104 | A96-A100 PolarHBondContact O-N 3.47Å; A97-A100 WeakPolarHBondContact O-CB 3.29Å; A97-A100 PolarHBondContact O-N 2.91Å; A97-A100 VanDerWaalsContact O-N 3.12Å; A100-A103 PolarHBondContact O-N 3.38Å; A100-A104 PolarHBondContact O-N 2.87Å |
| 101 | E | 90.6 | Very high | 89.4 | Confident | 129 Ų | 129 | 90.6 Ų | 90.6 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -44.8 | 174.6 | -73.6 | 179.4 | 178.8 | 0 | 0 | 111.8 | A97 S98 A103 A104 L105 | A97-E101 PolarHBondContact O-N 3.49Å; S98-E101 PolarHBondContact O-N 3.36Å; E101-A103 VanDerWaalsContact C-N 3.32Å; E101-A103 PolarHBondContact O-N 2.94Å; E101-A104 WeakPolarHBondContact O-CB 3.36Å; E101-A104 PolarHBondContact O-N 3.14Å; E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 2.9Å |
| 102 | K | 91.9 | Very high | 88.5 | Confident | 138 Ų | 138 | 92.6 Ų | 92.6 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.9 | -42.7 | 175.5 | -177.2 | 179.3 | 176.4 | -178.8 | 0 | 111.7 | S98 L99 A104 L105 Q106 | S98-K102 WeakPolarHBondContact O-CB 3.31Å; S98-K102 PolarHBondContact O-N 2.93Å; L99-K102 PolarHBondContact O-N 3.47Å; K102-A104 VanDerWaalsContact C-N 3.34Å; K102-L105 PolarHBondContact O-N 3.4Å; K102-Q106 VanDerWaalsContact O-CB 3.26Å; K102-Q106 WeakPolarHBondContact O-CB 3.36Å; K102-Q106 PolarHBondContact O-N 2.96Å |
| 103 | A | 90.3 | Very high | 87.5 | Confident | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L99 A100 E101 Q106 K107 | L99-A103 WeakPolarHBondContact O-CB 3.25Å; L99-A103 PolarHBondContact O-N 2.9Å; A100-A103 PolarHBondContact O-N 3.38Å; E101-A103 VanDerWaalsContact C-N 3.32Å; E101-A103 PolarHBondContact O-N 2.94Å; A103-Q106 PolarHBondContact O-N 3.27Å; A103-K107 PolarHBondContact O-N 3.01Å |
| 104 | A | 89.4 | Confident | 86.5 | Confident | 54 Ų | 54 | 98 Ų | 98 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A100 E101 K102 Q106 K107 E108 | A100-A104 PolarHBondContact O-N 2.87Å; E101-A104 WeakPolarHBondContact O-CB 3.36Å; E101-A104 PolarHBondContact O-N 3.14Å; K102-A104 VanDerWaalsContact C-N 3.34Å; A104-Q106 VanDerWaalsContact C-N 3.31Å; A104-Q106 PolarHBondContact O-N 2.98Å; A104-K107 WeakPolarHBondContact O-CB 3.33Å; A104-K107 PolarHBondContact O-N 3.13Å; A104-K107 VanDerWaalsContact O-N 3.11Å; A104-E108 PolarHBondContact O-N 3.3Å |
| 105 | L | 89 | Confident | 85 | Confident | 104 Ų | 104 | 99.7 Ų | 99.7 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 176.6 | -72.7 | 171.3 | 0 | 0 | 0 | 112.1 | E101 K102 K107 E108 I109 | E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 2.9Å; K102-L105 PolarHBondContact O-N 3.4Å; L105-K107 VanDerWaalsContact C-N 3.29Å; L105-K107 PolarHBondContact O-N 3.44Å; L105-E108 PolarHBondContact O-N 3.03Å; L105-I109 WeakPolarHBondContact O-CG1 3.27Å; L105-I109 PolarHBondContact O-N 2.93Å |
| 106 | Q | 88.3 | Confident | 83.3 | Confident | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.8 | -34.7 | 176.5 | -169.9 | 168.5 | -2.5 | 0 | 0 | 111.9 | K102 A103 A104 A110 | K102-Q106 VanDerWaalsContact O-CB 3.26Å; K102-Q106 WeakPolarHBondContact O-CB 3.36Å; K102-Q106 PolarHBondContact O-N 2.96Å; A103-Q106 PolarHBondContact O-N 3.27Å; A104-Q106 VanDerWaalsContact C-N 3.31Å; A104-Q106 PolarHBondContact O-N 2.98Å; Q106-A110 WeakPolarHBondContact O-CB 3.48Å; Q106-A110 PolarHBondContact O-N 2.99Å |
| 107 | K | 87.6 | Confident | 81.6 | Confident | 148 Ų | 148 | 108.5 Ų | 108.5 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.5 | -39.8 | 173.3 | -170.1 | 179.8 | 180 | -177.7 | 0 | 111.8 | A103 A104 L105 A110 N111 | A103-K107 PolarHBondContact O-N 3.01Å; A104-K107 WeakPolarHBondContact O-CB 3.33Å; A104-K107 PolarHBondContact O-N 3.13Å; A104-K107 VanDerWaalsContact O-N 3.11Å; L105-K107 VanDerWaalsContact C-N 3.29Å; L105-K107 PolarHBondContact O-N 3.44Å; K107-A110 PolarHBondContact O-N 2.91Å; K107-N111 VanDerWaalsContact O-CG 3.28Å; K107-N111 PolarHBondContact O-N 3.19Å; K107-N111 PolarHBondContact O-ND2 3.42Å |
| 108 | E | 86.4 | Confident | 79.7 | Confident | 108 Ų | 108 | 113 Ų | 113 | 51% | 0.505 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.2 | -46.5 | 173.9 | -73.2 | -172.3 | 174.9 | 0 | 0 | 112 | A104 L105 A110 N111 F112 | A104-E108 PolarHBondContact O-N 3.3Å; L105-E108 PolarHBondContact O-N 3.03Å; E108-A110 VanDerWaalsContact C-N 3.28Å; E108-A110 PolarHBondContact O-N 3.13Å; E108-N111 WeakPolarHBondContact O-CA 3.36Å; E108-N111 WeakPolarHBondContact O-CB 3.41Å; E108-N111 PolarHBondContact O-N 2.93Å; E108-F112 WeakPolarHBondContact O-CD2 3.33Å; E108-F112 PolarHBondContact O-N 3.4Å |
| 109 | I | 83.6 | Confident | 77.8 | Confident | 113 Ų | 113 | 114.3 Ų | 114.3 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.4 | -42.5 | 175.8 | -67.9 | 167.4 | 0 | 0 | 0 | 110.5 | L105 N111 F112 T113 | L105-I109 WeakPolarHBondContact O-CG1 3.27Å; L105-I109 PolarHBondContact O-N 2.93Å; I109-N111 VanDerWaalsContact C-N 3.32Å; I109-N111 PolarHBondContact O-N 2.95Å; I109-F112 PolarHBondContact O-N 2.85Å; I109-T113 WeakPolarHBondContact O-CB 3.41Å; I109-T113 PolarHBondContact O-N 3.46Å; I109-T113 PolarHBondContact O-OG1 3.46Å |
| 110 | A | 80.9 | Confident | 75.7 | Confident | 46 Ų | 46 | 119.4 Ų | 119.4 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q106 K107 E108 T113 K114 | Q106-A110 WeakPolarHBondContact O-CB 3.48Å; Q106-A110 PolarHBondContact O-N 2.99Å; K107-A110 PolarHBondContact O-N 2.91Å; E108-A110 VanDerWaalsContact C-N 3.28Å; E108-A110 PolarHBondContact O-N 3.13Å; A110-T113 PolarHBondContact O-N 2.91Å; A110-K114 WeakPolarHBondContact O-CG 2.92Å; A110-K114 PolarHBondContact O-N 2.86Å; A110-K114 VanDerWaalsContact O-N 3.07Å |
| 111 | N | 79.5 | Confident | 73.6 | Confident | 88 Ų | 88 | 124 Ų | 124 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.9 | -45.9 | 175.4 | -71.9 | -17.9 | 0 | 0 | 0 | 112.2 | K107 E108 I109 T113 K114 F115 | K107-N111 VanDerWaalsContact O-CG 3.28Å; K107-N111 PolarHBondContact O-N 3.19Å; K107-N111 PolarHBondContact O-ND2 3.42Å; E108-N111 WeakPolarHBondContact O-CA 3.36Å; E108-N111 WeakPolarHBondContact O-CB 3.41Å; E108-N111 PolarHBondContact O-N 2.93Å; I109-N111 VanDerWaalsContact C-N 3.32Å; I109-N111 PolarHBondContact O-N 2.95Å; N111-T113 VanDerWaalsContact C-N 3.27Å; N111-T113 PolarHBondContact O-N 3.35Å; N111-K114 PolarHBondContact O-N 3.45Å; N111-F115 PolarHBondContact O-N 2.85Å |
| 112 | F | 72.9 | Confident | 70.9 | Confident | 150 Ų | 150 | 123.2 Ų | 123.2 | 66% | 0.658 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.2 | -38.3 | 174.6 | -81.1 | -67.7 | 0 | 0 | 0 | 112 | E108 I109 F115 R116 | E108-F112 WeakPolarHBondContact O-CD2 3.33Å; E108-F112 PolarHBondContact O-N 3.4Å; I109-F112 PolarHBondContact O-N 2.85Å; F112-F115 PolarHBondContact O-N 3.42Å; F112-R116 WeakPolarHBondContact O-CB 3.49Å; F112-R116 PolarHBondContact O-N 3.34Å |
| 113 | T | 72 | Confident | 68.8 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 44% | 0.436 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.8 | -44.5 | 176.2 | -52 | 0 | 0 | 0 | 0 | 110.8 | I109 A110 N111 F115 R116 F117 | I109-T113 WeakPolarHBondContact O-CB 3.41Å; I109-T113 PolarHBondContact O-N 3.46Å; I109-T113 PolarHBondContact O-OG1 3.46Å; A110-T113 PolarHBondContact O-N 2.91Å; N111-T113 VanDerWaalsContact C-N 3.27Å; N111-T113 PolarHBondContact O-N 3.35Å; T113-F115 PolarHBondContact O-N 3.36Å; T113-R116 PolarHBondContact O-N 2.95Å; T113-F117 HydrophobicContact CG2-CD2 4.16Å; T113-F117 HydrophobicContact CG2-CE2 4.1Å; T113-F117 WeakPolarHBondContact O-CD2 3.26Å; T113-F117 PolarHBondContact O-N 3.2Å |
| 114 | K | 71.3 | Confident | 66.4 | Low | 146 Ų | 146 | 127.8 Ų | 127.8 | 64% | 0.635 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.9 | -41.6 | 174.7 | -74.1 | 178 | 179.9 | -179.8 | 0 | 112.9 | A110 N111 R116 F117 N118 | A110-K114 WeakPolarHBondContact O-CG 2.92Å; A110-K114 PolarHBondContact O-N 2.86Å; A110-K114 VanDerWaalsContact O-N 3.07Å; N111-K114 PolarHBondContact O-N 3.45Å; K114-R116 VanDerWaalsContact C-N 3.35Å; K114-R116 PolarHBondContact O-N 3.2Å; K114-F117 PolarHBondContact O-N 3.31Å; K114-N118 PolarHBondContact O-N 3.39Å; K114-N118 VanDerWaalsContact O-N 3.15Å |
| 115 | F | 61.6 | Low | 63.9 | Low | 153 Ų | 153 | 135 Ų | 135 | 67% | 0.671 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.6 | -40.7 | 178.4 | -153.8 | -88.8 | 0 | 0 | 0 | 111.8 | N111 F112 T113 F117 N118 T119 | N111-F115 PolarHBondContact O-N 2.85Å; F112-F115 PolarHBondContact O-N 3.42Å; T113-F115 PolarHBondContact O-N 3.36Å; F115-F117 VanDerWaalsContact C-N 3.32Å; F115-F117 PolarHBondContact O-N 3.05Å; F115-N118 PolarHBondContact O-N 2.78Å; F115-T119 PolarHBondContact O-N 3.38Å; F115-T119 PolarHBondContact O-OG1 3.33Å |
| 116 | R | 57.4 | Low | 61.8 | Low | 193 Ų | 193 | 136 Ų | 136 | 73% | 0.728 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.2 | -30.3 | 179.7 | -155 | 177.6 | -168.7 | 157.4 | 2.8 | 113.3 | F112 T113 K114 | F112-R116 WeakPolarHBondContact O-CB 3.49Å; F112-R116 PolarHBondContact O-N 3.34Å; T113-R116 PolarHBondContact O-N 2.95Å; K114-R116 VanDerWaalsContact C-N 3.35Å; K114-R116 PolarHBondContact O-N 3.2Å |
| 117 | F | 55.5 | Low | 59.3 | Low | 164 Ų | 164 | 138.8 Ų | 138.8 | 72% | 0.719 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -78.4 | -32.5 | 174.4 | -85.5 | -79.7 | 0 | 0 | 0 | 113.1 | T113 K114 F115 T119 | T113-F117 HydrophobicContact CG2-CD2 4.16Å; T113-F117 HydrophobicContact CG2-CE2 4.1Å; T113-F117 WeakPolarHBondContact O-CD2 3.26Å; T113-F117 PolarHBondContact O-N 3.2Å; K114-F117 PolarHBondContact O-N 3.31Å; F115-F117 VanDerWaalsContact C-N 3.32Å; F115-F117 PolarHBondContact O-N 3.05Å; F117-T119 VanDerWaalsContact C-N 3.34Å; F117-T119 PolarHBondContact O-N 2.95Å |
| 118 | N | 53.8 | Low | 56.9 | Low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -75.7 | -17.2 | 176 | -89.9 | 1 | 0 | 0 | 0 | 114.4 | K114 F115 | K114-N118 PolarHBondContact O-N 3.39Å; K114-N118 VanDerWaalsContact O-N 3.15Å; F115-N118 PolarHBondContact O-N 2.78Å |
| 119 | T | 49.3 | Very low | 54.4 | Low | 97 Ų | 97 | 143.9 Ų | 143.9 | 60% | 0.595 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 12.4 | -177.6 | -33.4 | 0 | 0 | 0 | 0 | 113.5 | F115 F117 | F115-T119 PolarHBondContact O-N 3.38Å; F115-T119 PolarHBondContact O-OG1 3.33Å; F117-T119 VanDerWaalsContact C-N 3.34Å; F117-T119 PolarHBondContact O-N 2.95Å |
| 120 | R | 46 | Very low | 52.6 | Low | 209 Ų | 209 | 144.1 Ų | 144.1 | 79% | 0.789 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 23.4 | 178.5 | -83.4 | -164.7 | -173.5 | -175.2 | 3 | 115 | ||
| 121 | I | 48.1 | Very low | 51.3 | Low | 162 Ų | 162 | 147.9 Ų | 147.9 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -141.1 | 81.2 | 165.7 | -51.8 | -179.8 | 0 | 0 | 0 | 109.3 | ||
| 122 | S | 33.9 | Very low | 49.1 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -170.3 | 119.2 | 145.8 | -143.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 123 | P | 47.7 | Very low | 47.6 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -102.6 | 99.2 | 173.5 | 34.1 | -21.7 | 0 | 0 | 0 | 109.5 | ||||
| 124 | Q | 41.2 | Very low | 46.6 | Very low | 178 Ų | 178 | 151.6 Ų | 151.6 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -179.2 | 107.4 | 158.5 | -105.2 | 151.9 | 37.4 | 0 | 0 | 109.9 | ||||
| 125 | F | 35.2 | Very low | 45.6 | Very low | 206 Ų | 206 | 150.4 Ų | 150.4 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -167.4 | 116.1 | 142.5 | -100.9 | -71 | 0 | 0 | 0 | 108.6 | ||||
| 126 | P | 44.7 | Very low | 44.8 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -86.6 | 111.7 | 175.2 | 31.8 | -27.1 | 0 | 0 | 0 | 109.5 | R128 | P126-R128 PolarHBondContact O-N 2.94Š| ||
| 127 | M | 36.6 | Very low | 44.2 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -79.5 | 112.1 | 166.8 | -94.2 | -89.9 | -121.3 | 0 | 0 | 109.4 | ||||
| 128 | R | 37.3 | Very low | 43.7 | Very low | 241 Ų | 241 | 146.7 Ų | 146.7 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 123.8 | 164.9 | -94.5 | 174.6 | 171.5 | 169.7 | -2.5 | 109.5 | P126 | P126-R128 PolarHBondContact O-N 2.94Š|
| 129 | C | 34.8 | Very low | 43.5 | Very low | 123 Ų | 123 | 147 Ų | 147 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 135.3 | 159.2 | -88.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 130 | P | 44.5 | Very low | 43.4 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 160.7 | 172.1 | 31.2 | -26.5 | 0 | 0 | 0 | 112.6 | ||
| 131 | P | 53.9 | Low | 43.6 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -105 | 143 | -164.7 | 37.2 | -28.7 | 0 | 0 | 0 | 114.8 | ||||
| 132 | C | 33.3 | Very low | 43.8 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -169.9 | 107.5 | 162.3 | 40.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 133 | L | 42.2 | Very low | 44.5 | Very low | 166 Ų | 166 | 143 Ų | 143 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | 129.4 | 164.2 | 76.6 | -107 | 132.9 | 0 | 0 | 0 | 107.4 | |||||
| 134 | P | 50.7 | Low | 44.5 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | -93.8 | 171.7 | -122.3 | 39.9 | -30.2 | 0 | 0 | 0 | 115.8 | |||
| 135 | P | 49.7 | Very low | 44.9 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 143.8 | -166.8 | 33.7 | -32.4 | 0 | 0 | 0 | 113.7 | ||
| 136 | P | 44.9 | Very low | 45.6 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 122.5 | 162.5 | 32 | -22.8 | 0 | 0 | 0 | 111.8 | ||
| 137 | S | 44.3 | Very low | 45.9 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | 36.5 | 110.1 | 147.6 | 59.5 | 0 | 0 | 0 | 0 | 119.9 | I139 | S137-I139 PolarHBondContact O-N 3.45Š| ||
| 138 | Y | 45.6 | Very low | 46.8 | Very low | 213 Ų | 213 | 132.9 Ų | 132.9 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 75.3 | 167.3 | -77 | -99.6 | 0 | 0 | 0 | 113.5 | I141 | Y138-I141 HydrophobicContact CD1-CD1 4.2Å; Y138-I141 HydrophobicContact CE1-CD1 4.47Å |
| 139 | I | 48.8 | Very low | 47.7 | Very low | 154 Ų | 154 | 127 Ų | 127 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | -9.3 | 163.4 | -58.8 | -176 | 0 | 0 | 0 | 114 | S137 | S137-I139 PolarHBondContact O-N 3.45Š|
| 140 | H | 47.9 | Very low | 48.8 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 65% | 0.653 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -114 | 18.1 | -174.1 | -103.3 | 120.9 | 0 | 0 | 0 | 117.1 | ||
| 141 | I | 50.4 | Low | 49.3 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 55% | 0.554 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -83.8 | -28.4 | -173.1 | -58.2 | 176.3 | 0 | 0 | 0 | 112.9 | Y138 H145 | Y138-I141 HydrophobicContact CD1-CD1 4.2Å; Y138-I141 HydrophobicContact CE1-CD1 4.47Å; I141-H145 PolarHBondContact O-N 3.41Å |
| 142 | A | 52.8 | Low | 49.7 | Very low | 84 Ų | 84 | 123.6 Ų | 123.6 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.1 | -41.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 143 | K | 48.6 | Very low | 51.2 | Low | 163 Ų | 163 | 121 Ų | 121 | 71% | 0.709 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.2 | -24.7 | -179 | -77.6 | -179.5 | 176.5 | 177.2 | 0 | 114.1 | ||
| 144 | C | 46.2 | Very low | 52.4 | Low | 78 Ų | 78 | 118.1 Ų | 118.1 | 53% | 0.527 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -79.5 | -31.2 | 176.2 | -73.7 | 0 | 0 | 0 | 0 | 112.5 | V148 | C144-V148 WeakPolarHBondContact O-CB 3.36Å; C144-V148 VanDerWaalsContact O-CG2 3.23Å; C144-V148 WeakPolarHBondContact O-CG2 3.16Å; C144-V148 PolarHBondContact O-N 3.48Å |
| 145 | H | 50.5 | Low | 53.4 | Low | 121 Ų | 121 | 117.7 Ų | 117.7 | 56% | 0.56 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.1 | -38.1 | 179.9 | -142.2 | 76.9 | 0 | 0 | 0 | 112.3 | I141 Q149 | I141-H145 PolarHBondContact O-N 3.41Å; H145-Q149 WeakPolarHBondContact O-CG 3.33Å; H145-Q149 PolarHBondContact O-N 3.14Å; H145-Q149 VanDerWaalsContact O-N 3.14Å |
| 146 | E | 50.6 | Low | 54.6 | Low | 135 Ų | 135 | 118.9 Ų | 118.9 | 63% | 0.631 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.1 | -36.4 | 179.6 | -152 | 172.7 | -158.5 | 0 | 0 | 112.4 | N150 | E146-N150 PolarHBondContact O-N 3.48Å; E146-N150 VanDerWaalsContact O-N 3.14Å; E146-N150 PolarHBondContact O-ND2 2.94Å |
| 147 | R | 50.5 | Low | 56 | Low | 175 Ų | 175 | 116.6 Ų | 116.6 | 66% | 0.66 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.3 | -41.3 | 176.1 | -159.7 | 179 | -139.4 | -118.6 | 8.4 | 112.4 | E151 | R147-E151 IonicContact NH1-OE1 2.76Å; R147-E151 WeakPolarHBondContact O-CB 3.44Å; R147-E151 WeakPolarHBondContact O-CG 3.49Å; R147-E151 PolarHBondContact O-N 2.96Å |
| 148 | V | 55.5 | Low | 57.8 | Low | 85 Ų | 85 | 115.7 Ų | 115.7 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.5 | -35.1 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | C144 T152 | C144-V148 WeakPolarHBondContact O-CB 3.36Å; C144-V148 VanDerWaalsContact O-CG2 3.23Å; C144-V148 WeakPolarHBondContact O-CG2 3.16Å; C144-V148 PolarHBondContact O-N 3.48Å; V148-T152 WeakPolarHBondContact O-CB 3.5Å; V148-T152 PolarHBondContact O-N 3.5Å; V148-T152 PolarHBondContact O-OG1 3.22Å |
| 149 | Q | 55.6 | Low | 59.4 | Low | 116 Ų | 116 | 107.8 Ų | 107.8 | 54% | 0.542 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70 | -38.7 | 174.3 | -73.3 | -153.5 | 12.8 | 0 | 0 | 113.1 | H145 T152 A153 | H145-Q149 WeakPolarHBondContact O-CG 3.33Å; H145-Q149 PolarHBondContact O-N 3.14Å; H145-Q149 VanDerWaalsContact O-N 3.14Å; Q149-T152 WeakPolarHBondContact CA-OG1 3.4Å; Q149-T152 PolarHBondContact O-OG1 3.03Å; Q149-A153 WeakPolarHBondContact O-CB 3.4Å; Q149-A153 PolarHBondContact O-N 3.29Å |
| 150 | N | 57.4 | Low | 61.1 | Low | 111 Ų | 111 | 105.1 Ų | 105.1 | 59% | 0.594 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.8 | -39.8 | 175.9 | -75.1 | -19.9 | 0 | 0 | 0 | 112.5 | E146 L154 | E146-N150 PolarHBondContact O-N 3.48Å; E146-N150 VanDerWaalsContact O-N 3.14Å; E146-N150 PolarHBondContact O-ND2 2.94Å; N150-L154 WeakPolarHBondContact O-CB 3.5Å; N150-L154 PolarHBondContact O-N 3.47Å; N150-L154 VanDerWaalsContact O-N 3.08Å |
| 151 | E | 56.5 | Low | 62.9 | Low | 101 Ų | 101 | 104 Ų | 104 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.7 | -39.4 | 175.7 | -74.9 | 174.8 | -179.3 | 0 | 0 | 112 | R147 L154 V155 | R147-E151 IonicContact NH1-OE1 2.76Å; R147-E151 WeakPolarHBondContact O-CB 3.44Å; R147-E151 WeakPolarHBondContact O-CG 3.49Å; R147-E151 PolarHBondContact O-N 2.96Å; E151-L154 PolarHBondContact O-N 2.83Å; E151-V155 WeakPolarHBondContact O-CB 3.32Å; E151-V155 VanDerWaalsContact O-CG2 3.22Å; E151-V155 WeakPolarHBondContact O-CG2 3.3Å; E151-V155 PolarHBondContact O-N 2.97Å |
| 152 | T | 61.8 | Low | 64.6 | Low | 84 Ų | 84 | 104.6 Ų | 104.6 | 52% | 0.515 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.5 | -34.4 | 175.7 | 39.6 | 0 | 0 | 0 | 0 | 113.3 | V148 Q149 K156 | V148-T152 WeakPolarHBondContact O-CB 3.5Å; V148-T152 PolarHBondContact O-N 3.5Å; V148-T152 PolarHBondContact O-OG1 3.22Å; Q149-T152 WeakPolarHBondContact CA-OG1 3.4Å; Q149-T152 PolarHBondContact O-OG1 3.03Å; T152-K156 VanDerWaalsContact O-CB 3.24Å; T152-K156 WeakPolarHBondContact O-CB 3.31Å; T152-K156 PolarHBondContact O-N 2.89Å |
| 153 | A | 64.8 | Low | 66.3 | Low | 59 Ų | 59 | 104.2 Ų | 104.2 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q149 K156 S157 | Q149-A153 WeakPolarHBondContact O-CB 3.4Å; Q149-A153 PolarHBondContact O-N 3.29Å; A153-K156 PolarHBondContact O-N 3Å; A153-S157 WeakPolarHBondContact O-CB 3.27Å; A153-S157 PolarHBondContact O-N 3.38Å |
| 154 | L | 67.8 | Low | 68.1 | Low | 106 Ų | 106 | 102.3 Ų | 102.3 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -45.4 | 176.1 | -174.2 | 68.3 | 0 | 0 | 0 | 111.8 | N150 E151 K156 S157 N158 | N150-L154 WeakPolarHBondContact O-CB 3.5Å; N150-L154 PolarHBondContact O-N 3.47Å; N150-L154 VanDerWaalsContact O-N 3.08Å; E151-L154 PolarHBondContact O-N 2.83Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 3.45Å; L154-S157 PolarHBondContact O-N 2.83Å; L154-N158 WeakPolarHBondContact O-CB 3.24Å; L154-N158 VanDerWaalsContact O-CG 3.26Å; L154-N158 PolarHBondContact O-N 3.44Å |
| 155 | V | 71.6 | Confident | 70.1 | Confident | 98 Ų | 98 | 102.7 Ų | 102.7 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | E151 N158 A159 | E151-V155 WeakPolarHBondContact O-CB 3.32Å; E151-V155 VanDerWaalsContact O-CG2 3.22Å; E151-V155 WeakPolarHBondContact O-CG2 3.3Å; E151-V155 PolarHBondContact O-N 2.97Å; V155-N158 PolarHBondContact O-N 3.29Å; V155-A159 VanDerWaalsContact O-CB 3.27Å; V155-A159 WeakPolarHBondContact O-CB 3.32Å; V155-A159 PolarHBondContact O-N 2.72Å |
| 156 | K | 73.8 | Confident | 71.9 | Confident | 146 Ų | 146 | 102 Ų | 102 | 64% | 0.635 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.8 | -38.2 | 176.9 | -162.9 | 175.7 | -174.6 | -178.2 | 0 | 112.2 | T152 A153 L154 N160 | T152-K156 VanDerWaalsContact O-CB 3.24Å; T152-K156 WeakPolarHBondContact O-CB 3.31Å; T152-K156 PolarHBondContact O-N 2.89Å; A153-K156 PolarHBondContact O-N 3Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 3.45Å; K156-N160 WeakPolarHBondContact O-CB 3.4Å; K156-N160 PolarHBondContact O-N 3.42Å; K156-N160 PolarHBondContact O-ND2 3.5Å |
| 157 | S | 75.8 | Confident | 73.7 | Confident | 67 Ų | 67 | 99.2 Ų | 99.2 | 47% | 0.469 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 173.5 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | A153 L154 A159 N160 Q161 | A153-S157 WeakPolarHBondContact O-CB 3.27Å; A153-S157 PolarHBondContact O-N 3.38Å; L154-S157 PolarHBondContact O-N 2.83Å; S157-A159 PolarHBondContact O-N 3.13Å; S157-N160 PolarHBondContact O-N 3.43Å; S157-Q161 WeakPolarHBondContact O-CB 3.4Å; S157-Q161 PolarHBondContact O-N 3.35Å |
| 158 | N | 80.9 | Confident | 75.6 | Confident | 84 Ų | 84 | 94 Ų | 94 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 178.3 | -69.3 | -7 | 0 | 0 | 0 | 112 | L154 V155 Q161 M162 | L154-N158 WeakPolarHBondContact O-CB 3.24Å; L154-N158 VanDerWaalsContact O-CG 3.26Å; L154-N158 PolarHBondContact O-N 3.44Å; V155-N158 PolarHBondContact O-N 3.29Å; N158-Q161 PolarHBondContact O-N 2.91Å; N158-M162 WeakPolarHBondContact O-CB 3.44Å; N158-M162 PolarHBondContact O-N 3.46Å |
| 159 | A | 79.9 | Confident | 77.4 | Confident | 48 Ų | 48 | 96.1 Ų | 96.1 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V155 S157 M162 V163 | V155-A159 VanDerWaalsContact O-CB 3.27Å; V155-A159 WeakPolarHBondContact O-CB 3.32Å; V155-A159 PolarHBondContact O-N 2.72Å; S157-A159 PolarHBondContact O-N 3.13Å; A159-M162 PolarHBondContact O-N 3.36Å; A159-V163 VanDerWaalsContact O-CG2 3.28Å; A159-V163 WeakPolarHBondContact O-CG2 3.39Å; A159-V163 PolarHBondContact O-N 2.88Å |
| 160 | N | 83.8 | Confident | 79.1 | Confident | 98 Ų | 98 | 97 Ų | 97 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 176.1 | -73 | -16 | 0 | 0 | 0 | 111.8 | K156 S157 V163 Q164 | K156-N160 WeakPolarHBondContact O-CB 3.4Å; K156-N160 PolarHBondContact O-N 3.42Å; K156-N160 PolarHBondContact O-ND2 3.5Å; S157-N160 PolarHBondContact O-N 3.43Å; N160-V163 PolarHBondContact O-N 2.9Å; N160-Q164 WeakPolarHBondContact O-CG 3.43Å; N160-Q164 PolarHBondContact O-N 2.89Å |
| 161 | Q | 85.4 | Confident | 80.7 | Confident | 116 Ų | 116 | 95.5 Ų | 95.5 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.4 | -170.5 | 174.2 | 8.9 | 0 | 0 | 111.8 | S157 N158 V163 Q164 N165 | S157-Q161 WeakPolarHBondContact O-CB 3.4Å; S157-Q161 PolarHBondContact O-N 3.35Å; N158-Q161 PolarHBondContact O-N 2.91Å; Q161-V163 PolarHBondContact O-N 2.87Å; Q161-Q164 PolarHBondContact O-N 2.94Å; Q161-N165 WeakPolarHBondContact O-CB 3.28Å; Q161-N165 VanDerWaalsContact O-CG 3.22Å; Q161-N165 PolarHBondContact O-N 3.33Å; Q161-N165 PolarHBondContact O-OD1 2.85Å |
| 162 | M | 86.6 | Confident | 82.5 | Confident | 122 Ų | 122 | 93.5 Ų | 93.5 | 60% | 0.601 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 175.1 | -174.5 | 179 | -179 | 0 | 0 | 111.8 | N158 A159 N165 M166 | N158-M162 WeakPolarHBondContact O-CB 3.44Å; N158-M162 PolarHBondContact O-N 3.46Å; A159-M162 PolarHBondContact O-N 3.36Å; M162-N165 PolarHBondContact O-N 3.16Å; M162-M166 WeakPolarHBondContact O-CG 3.49Å; M162-M166 PolarHBondContact O-N 3.1Å |
| 163 | V | 87.7 | Confident | 83.9 | Confident | 75 Ų | 75 | 92.2 Ų | 92.2 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | A159 N160 Q161 M166 L167 | A159-V163 VanDerWaalsContact O-CG2 3.28Å; A159-V163 WeakPolarHBondContact O-CG2 3.39Å; A159-V163 PolarHBondContact O-N 2.88Å; N160-V163 PolarHBondContact O-N 2.9Å; Q161-V163 PolarHBondContact O-N 2.87Å; V163-M166 PolarHBondContact O-N 2.75Å; V163-L167 HydrophobicContact CG1-CD1 4.12Å; V163-L167 WeakPolarHBondContact O-CG 3.4Å; V163-L167 PolarHBondContact O-N 3.39Å |
| 164 | Q | 87 | Confident | 85.3 | Confident | 123 Ų | 123 | 93 Ų | 93 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64 | -40.1 | 176.3 | -74.1 | -65.6 | -10.6 | 0 | 0 | 112.5 | N160 Q161 L167 S168 | N160-Q164 WeakPolarHBondContact O-CG 3.43Å; N160-Q164 PolarHBondContact O-N 2.89Å; Q161-Q164 PolarHBondContact O-N 2.94Å; Q164-L167 PolarHBondContact O-N 3.4Å; Q164-S168 WeakPolarHBondContact O-CB 3.36Å; Q164-S168 PolarHBondContact O-N 2.92Å |
| 165 | N | 88.6 | Confident | 86.6 | Confident | 87 Ų | 87 | 95 Ų | 95 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.9 | -69.9 | -7.3 | 0 | 0 | 0 | 111.3 | Q161 M162 L167 S168 E169 | Q161-N165 WeakPolarHBondContact O-CB 3.28Å; Q161-N165 VanDerWaalsContact O-CG 3.22Å; Q161-N165 PolarHBondContact O-N 3.33Å; Q161-N165 PolarHBondContact O-OD1 2.85Å; M162-N165 PolarHBondContact O-N 3.16Å; N165-L167 VanDerWaalsContact C-N 3.33Å; N165-L167 PolarHBondContact O-N 2.68Å; N165-S168 PolarHBondContact O-N 3.46Å; N165-E169 WeakPolarHBondContact O-CG 3.45Å; N165-E169 PolarHBondContact O-N 3.12Å |
| 166 | M | 87.8 | Confident | 87.7 | Confident | 106 Ų | 106 | 94.9 Ų | 94.9 | 52% | 0.522 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 176.8 | -71.4 | -153.9 | -58.3 | 0 | 0 | 112.9 | M162 V163 R170 | M162-M166 WeakPolarHBondContact O-CG 3.49Å; M162-M166 PolarHBondContact O-N 3.1Å; V163-M166 PolarHBondContact O-N 2.75Å; M166-R170 VanDerWaalsContact O-CB 3.25Å; M166-R170 WeakPolarHBondContact O-CB 3.42Å; M166-R170 PolarHBondContact O-N 2.96Å |
| 167 | L | 89.9 | Confident | 88.7 | Confident | 77 Ų | 77 | 94.2 Ų | 94.2 | 40% | 0.403 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 174.5 | -72.2 | 171.7 | 0 | 0 | 0 | 111.6 | V163 Q164 N165 R170 D171 | V163-L167 HydrophobicContact CG1-CD1 4.12Å; V163-L167 WeakPolarHBondContact O-CG 3.4Å; V163-L167 PolarHBondContact O-N 3.39Å; Q164-L167 PolarHBondContact O-N 3.4Å; N165-L167 VanDerWaalsContact C-N 3.33Å; N165-L167 PolarHBondContact O-N 2.68Å; L167-R170 WeakPolarHBondContact O-CB 3.49Å; L167-R170 PolarHBondContact O-N 2.89Å; L167-D171 PolarHBondContact O-N 3.18Å |
| 168 | S | 90.4 | Very high | 89.6 | Confident | 64 Ų | 64 | 94.6 Ų | 94.6 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | Q164 N165 R170 D171 N172 | Q164-S168 WeakPolarHBondContact O-CB 3.36Å; Q164-S168 PolarHBondContact O-N 2.92Å; N165-S168 PolarHBondContact O-N 3.46Å; S168-R170 VanDerWaalsContact C-N 3.32Å; S168-R170 PolarHBondContact O-N 2.87Å; S168-D171 PolarHBondContact O-N 3.46Å; S168-N172 WeakPolarHBondContact O-CB 3.49Å; S168-N172 VanDerWaalsContact O-CG 3.29Å; S168-N172 PolarHBondContact O-N 2.91Å; S168-N172 PolarHBondContact O-ND2 3.41Å; S168-N172 VanDerWaalsContact O-ND2 3.08Å |
| 169 | E | 91.8 | Very high | 90.2 | Very high | 131 Ų | 131 | 93.5 Ų | 93.5 | 61% | 0.612 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.2 | -42.6 | 174.4 | -75 | 175.1 | -175.3 | 0 | 0 | 111.8 | N165 N172 A173 | N165-E169 WeakPolarHBondContact O-CG 3.45Å; N165-E169 PolarHBondContact O-N 3.12Å; E169-N172 PolarHBondContact O-N 3.35Å; E169-A173 WeakPolarHBondContact O-CB 3.26Å; E169-A173 PolarHBondContact O-N 2.83Å |
| 170 | R | 91.2 | Very high | 90.9 | Very high | 134 Ų | 134 | 94.1 Ų | 94.1 | 51% | 0.506 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.9 | -167.9 | -151.7 | 80.1 | 131.7 | 6.6 | 111.4 | M166 L167 S168 A173 F174 | M166-R170 VanDerWaalsContact O-CB 3.25Å; M166-R170 WeakPolarHBondContact O-CB 3.42Å; M166-R170 PolarHBondContact O-N 2.96Å; L167-R170 WeakPolarHBondContact O-CB 3.49Å; L167-R170 PolarHBondContact O-N 2.89Å; S168-R170 VanDerWaalsContact C-N 3.32Å; S168-R170 PolarHBondContact O-N 2.87Å; R170-A173 PolarHBondContact O-N 2.9Å; R170-F174 HydrophobicContact CG-CD2 3.91Å; R170-F174 HydrophobicContact CG-CE2 3.51Å; R170-F174 WeakPolarHBondContact O-CD2 3.34Å; R170-F174 PolarHBondContact O-N 3.21Å |
| 171 | D | 92.9 | Very high | 91.4 | Very high | 80 Ų | 80 | 92.8 Ų | 92.8 | 43% | 0.428 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.3 | -36 | -178.7 | -70.3 | -14.3 | 0 | 0 | 0 | 111.9 | L167 S168 F174 R175 | L167-D171 PolarHBondContact O-N 3.18Å; S168-D171 PolarHBondContact O-N 3.46Å; D171-F174 PolarHBondContact O-N 3.39Å; D171-R175 WeakPolarHBondContact O-CB 3.36Å; D171-R175 PolarHBondContact O-N 3.03Å |
| 172 | N | 92.4 | Very high | 91.9 | Very high | 58 Ų | 58 | 94.7 Ų | 94.7 | 31% | 0.31 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 170.2 | -71.3 | -37.9 | 0 | 0 | 0 | 111.4 | S168 E169 F174 R175 D176 | S168-N172 WeakPolarHBondContact O-CB 3.49Å; S168-N172 VanDerWaalsContact O-CG 3.29Å; S168-N172 PolarHBondContact O-N 2.91Å; S168-N172 PolarHBondContact O-ND2 3.41Å; S168-N172 VanDerWaalsContact O-ND2 3.08Å; E169-N172 PolarHBondContact O-N 3.35Å; N172-F174 VanDerWaalsContact C-N 3.3Å; N172-F174 PolarHBondContact O-N 3.15Å; N172-R175 WeakPolarHBondContact O-CB 3.41Å; N172-R175 PolarHBondContact O-N 3.47Å; N172-R175 VanDerWaalsContact O-N 3.11Å; N172-R175 PolarHBondContact OD1-NH1 3.3Å; N172-D176 VanDerWaalsContact O-CG 3.3Å; N172-D176 PolarHBondContact O-N 3.42Å |
| 173 | A | 92.9 | Very high | 92.2 | Very high | 57 Ų | 57 | 94 Ų | 94 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E169 R170 R177 | E169-A173 WeakPolarHBondContact O-CB 3.26Å; E169-A173 PolarHBondContact O-N 2.83Å; R170-A173 PolarHBondContact O-N 2.9Å; A173-R177 WeakPolarHBondContact O-CB 3.33Å; A173-R177 PolarHBondContact O-N 2.91Å |
| 174 | F | 93.6 | Very high | 92.5 | Very high | 75 Ų | 75 | 97.2 Ų | 97.2 | 33% | 0.329 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 172.4 | -80.7 | -59.8 | 0 | 0 | 0 | 112 | R170 D171 N172 D176 R177 D178 | R170-F174 HydrophobicContact CG-CD2 3.91Å; R170-F174 HydrophobicContact CG-CE2 3.51Å; R170-F174 WeakPolarHBondContact O-CD2 3.34Å; R170-F174 PolarHBondContact O-N 3.21Å; D171-F174 PolarHBondContact O-N 3.39Å; N172-F174 VanDerWaalsContact C-N 3.3Å; N172-F174 PolarHBondContact O-N 3.15Å; F174-D176 PolarHBondContact O-N 2.8Å; F174-R177 PolarHBondContact O-N 3.3Å; F174-D178 VanDerWaalsContact O-CG 3.29Å; F174-D178 PolarHBondContact O-N 2.65Å |
| 175 | R | 94.6 | Very high | 92.9 | Very high | 148 Ų | 148 | 94 Ų | 94 | 56% | 0.558 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 178.4 | -154 | 177.1 | 74.1 | -142.5 | 0.1 | 111.7 | D171 N172 D178 N179 | D171-R175 WeakPolarHBondContact O-CB 3.36Å; D171-R175 PolarHBondContact O-N 3.03Å; N172-R175 WeakPolarHBondContact O-CB 3.41Å; N172-R175 PolarHBondContact O-N 3.47Å; N172-R175 VanDerWaalsContact O-N 3.11Å; N172-R175 PolarHBondContact OD1-NH1 3.3Å; R175-D178 PolarHBondContact O-N 3.18Å; R175-N179 WeakPolarHBondContact O-CB 3.4Å; R175-N179 PolarHBondContact O-N 2.91Å; R175-N179 PolarHBondContact O-ND2 3.38Å |
| 176 | D | 94.2 | Very high | 93.2 | Very high | 96 Ų | 96 | 95.4 Ų | 95.4 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 177.1 | -69.9 | -15.5 | 0 | 0 | 0 | 111.6 | N172 F174 N179 A180 | N172-D176 VanDerWaalsContact O-CG 3.3Å; N172-D176 PolarHBondContact O-N 3.42Å; F174-D176 PolarHBondContact O-N 2.8Å; D176-N179 PolarHBondContact O-N 3.24Å; D176-A180 WeakPolarHBondContact O-CB 3.34Å; D176-A180 PolarHBondContact O-N 2.79Å |
| 177 | R | 94.8 | Very high | 93.5 | Very high | 133 Ų | 133 | 92.2 Ų | 92.2 | 50% | 0.502 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 173.8 | -174.5 | -171.2 | 69.7 | 174.2 | 1.5 | 111.6 | A173 F174 N179 A180 I181 | A173-R177 WeakPolarHBondContact O-CB 3.33Å; A173-R177 PolarHBondContact O-N 2.91Å; F174-R177 PolarHBondContact O-N 3.3Å; R177-N179 VanDerWaalsContact C-N 3.32Å; R177-N179 PolarHBondContact O-N 3.26Å; R177-A180 PolarHBondContact O-N 3.4Å; R177-I181 HydrophobicContact CG-CD1 4.14Å; R177-I181 VanDerWaalsContact O-CG1 3.3Å; R177-I181 WeakPolarHBondContact O-CG1 3.34Å; R177-I181 PolarHBondContact O-N 3.2Å |
| 178 | D | 94.6 | Very high | 93.7 | Very high | 75 Ų | 75 | 93.1 Ų | 93.1 | 40% | 0.401 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68 | -34.7 | -178.6 | -68.3 | -6.9 | 0 | 0 | 0 | 111.5 | F174 R175 I181 R182 | F174-D178 VanDerWaalsContact O-CG 3.29Å; F174-D178 PolarHBondContact O-N 2.65Å; R175-D178 PolarHBondContact O-N 3.18Å; D178-I181 PolarHBondContact O-N 2.93Å; D178-R182 WeakPolarHBondContact O-CB 3.3Å; D178-R182 PolarHBondContact O-N 2.98Å |
| 179 | N | 94.4 | Very high | 93.9 | Very high | 61 Ų | 61 | 96.7 Ų | 96.7 | 33% | 0.326 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 170.5 | -71.5 | -20.9 | 0 | 0 | 0 | 111.6 | R175 D176 R177 I181 R182 D183 | R175-N179 WeakPolarHBondContact O-CB 3.4Å; R175-N179 PolarHBondContact O-N 2.91Å; R175-N179 PolarHBondContact O-ND2 3.38Å; D176-N179 PolarHBondContact O-N 3.24Å; R177-N179 VanDerWaalsContact C-N 3.32Å; R177-N179 PolarHBondContact O-N 3.26Å; N179-I181 VanDerWaalsContact C-N 3.3Å; N179-I181 PolarHBondContact O-N 3.2Å; N179-R182 WeakPolarHBondContact O-CB 3.34Å; N179-R182 PolarHBondContact O-N 3.05Å; N179-R182 VanDerWaalsContact O-N 3.12Å; N179-D183 PolarHBondContact O-N 3.2Å |
| 180 | A | 94.3 | Very high | 94 | Very high | 60 Ų | 60 | 93.7 Ų | 93.7 | 50% | 0.496 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D176 R177 R184 | D176-A180 WeakPolarHBondContact O-CB 3.34Å; D176-A180 PolarHBondContact O-N 2.79Å; R177-A180 PolarHBondContact O-N 3.4Å; A180-R184 VanDerWaalsContact O-CB 3.26Å; A180-R184 WeakPolarHBondContact O-CB 3.4Å; A180-R184 PolarHBondContact O-N 3.04Å |
| 181 | I | 94.7 | Very high | 94.1 | Very high | 70 Ų | 70 | 94.3 Ų | 94.3 | 36% | 0.359 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 174 | -68.5 | 165.3 | 0 | 0 | 0 | 110.2 | R177 D178 N179 D183 R184 D185 | R177-I181 HydrophobicContact CG-CD1 4.14Å; R177-I181 VanDerWaalsContact O-CG1 3.3Å; R177-I181 WeakPolarHBondContact O-CG1 3.34Å; R177-I181 PolarHBondContact O-N 3.2Å; D178-I181 PolarHBondContact O-N 2.93Å; N179-I181 VanDerWaalsContact C-N 3.3Å; N179-I181 PolarHBondContact O-N 3.2Å; I181-D183 PolarHBondContact O-N 2.94Å; I181-R184 PolarHBondContact O-N 3.35Å; I181-D185 WeakPolarHBondContact O-CB 3.27Å; I181-D185 VanDerWaalsContact O-CG 3.22Å; I181-D185 PolarHBondContact O-N 3.49Å |
| 182 | R | 95.3 | Very high | 94.2 | Very high | 157 Ų | 157 | 95.3 Ų | 95.3 | 59% | 0.592 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.9 | -44.1 | 179.6 | -168.1 | -165.6 | -46.3 | -106.1 | -2.8 | 112.2 | D178 N179 D185 K186 | D178-R182 WeakPolarHBondContact O-CB 3.3Å; D178-R182 PolarHBondContact O-N 2.98Å; N179-R182 WeakPolarHBondContact O-CB 3.34Å; N179-R182 PolarHBondContact O-N 3.05Å; N179-R182 VanDerWaalsContact O-N 3.12Å; R182-D185 PolarHBondContact O-N 2.98Å; R182-K186 WeakPolarHBondContact O-CB 3.32Å; R182-K186 PolarHBondContact O-N 3.15Å |
| 183 | D | 93.4 | Very high | 94.3 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 57% | 0.567 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.9 | -41.6 | 179.3 | -71.8 | -17.5 | 0 | 0 | 0 | 111.1 | N179 I181 K186 G187 | N179-D183 PolarHBondContact O-N 3.2Å; I181-D183 PolarHBondContact O-N 2.94Å; D183-K186 WeakPolarHBondContact O-CB 3.26Å; D183-K186 PolarHBondContact O-N 3.44Å; D183-G187 PolarHBondContact O-N 3.48Å |
| 184 | R | 94.8 | Very high | 94.3 | Very high | 143 Ų | 143 | 99.8 Ų | 99.8 | 54% | 0.54 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 173.9 | -171.6 | -162.4 | 67.6 | 172 | 0.1 | 111.5 | A180 I181 K186 G187 F188 | A180-R184 VanDerWaalsContact O-CB 3.26Å; A180-R184 WeakPolarHBondContact O-CB 3.4Å; A180-R184 PolarHBondContact O-N 3.04Å; I181-R184 PolarHBondContact O-N 3.35Å; R184-K186 VanDerWaalsContact C-N 3.31Å; R184-K186 PolarHBondContact O-N 3.25Å; R184-G187 PolarHBondContact O-N 3.37Å; R184-F188 HydrophobicContact CG-CD2 3.99Å; R184-F188 HydrophobicContact CG-CE2 3.56Å; R184-F188 HydrophobicContact CG-CZ 4.38Å; R184-F188 VanDerWaalsContact O-CD2 3.22Å; R184-F188 WeakPolarHBondContact O-CD2 3.3Å; R184-F188 PolarHBondContact O-N 3.03Å |
| 185 | D | 94.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 100.6 Ų | 100.6 | 31% | 0.305 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.5 | -33.7 | 179.7 | -68.7 | -4.4 | 0 | 0 | 0 | 111.7 | I181 R182 F188 R189 | I181-D185 WeakPolarHBondContact O-CB 3.27Å; I181-D185 VanDerWaalsContact O-CG 3.22Å; I181-D185 PolarHBondContact O-N 3.49Å; R182-D185 PolarHBondContact O-N 2.98Å; D185-F188 PolarHBondContact O-N 3.41Å; D185-R189 PolarHBondContact O-N 2.77Å; D185-R189 VanDerWaalsContact O-N 3.12Å; D185-R189 PolarHBondContact O-NH1 2.92Å |
| 186 | K | 95.2 | Very high | 94.4 | Very high | 116 Ų | 116 | 96.2 Ų | 96.2 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 169.6 | -173.9 | -174.6 | 174.9 | -172.2 | 0 | 110.8 | R182 D183 R184 F188 R189 D190 | R182-K186 WeakPolarHBondContact O-CB 3.32Å; R182-K186 PolarHBondContact O-N 3.15Å; D183-K186 WeakPolarHBondContact O-CB 3.26Å; D183-K186 PolarHBondContact O-N 3.44Å; R184-K186 VanDerWaalsContact C-N 3.31Å; R184-K186 PolarHBondContact O-N 3.25Å; K186-F188 VanDerWaalsContact C-N 3.26Å; K186-F188 PolarHBondContact O-N 2.82Å; K186-R189 PolarHBondContact O-N 3.06Å; K186-R189 VanDerWaalsContact O-N 3.08Å; K186-D190 VanDerWaalsContact O-CG 3.29Å; K186-D190 PolarHBondContact O-N 3.44Å |
| 187 | G | 93.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 96.2 Ų | 96.2 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.8 | -36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D183 R184 R191 | D183-G187 PolarHBondContact O-N 3.48Å; R184-G187 PolarHBondContact O-N 3.37Å; G187-R191 WeakPolarHBondContact O-CB 3.5Å; G187-R191 PolarHBondContact O-N 3.49Å |
| 188 | F | 94 | Very high | 94.3 | Very high | 96 Ų | 96 | 91.8 Ų | 91.8 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 173.5 | -78.2 | -55.1 | 0 | 0 | 0 | 113 | R184 D185 K186 R191 D192 | R184-F188 HydrophobicContact CG-CD2 3.99Å; R184-F188 HydrophobicContact CG-CE2 3.56Å; R184-F188 HydrophobicContact CG-CZ 4.38Å; R184-F188 VanDerWaalsContact O-CD2 3.22Å; R184-F188 WeakPolarHBondContact O-CD2 3.3Å; R184-F188 PolarHBondContact O-N 3.03Å; D185-F188 PolarHBondContact O-N 3.41Å; K186-F188 VanDerWaalsContact C-N 3.26Å; K186-F188 PolarHBondContact O-N 2.82Å; F188-R191 PolarHBondContact O-N 3.42Å; F188-D192 PolarHBondContact O-N 2.91Å |
| 189 | R | 94.4 | Very high | 94.3 | Very high | 139 Ų | 139 | 94.9 Ų | 94.9 | 53% | 0.525 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 176.1 | -73.8 | -172.6 | -66.3 | -86.2 | -0.6 | 111.7 | D185 K186 R191 D192 I193 | D185-R189 PolarHBondContact O-N 2.77Å; D185-R189 VanDerWaalsContact O-N 3.12Å; D185-R189 PolarHBondContact O-NH1 2.92Å; K186-R189 PolarHBondContact O-N 3.06Å; K186-R189 VanDerWaalsContact O-N 3.08Å; R189-R191 VanDerWaalsContact C-N 3.28Å; R189-R191 PolarHBondContact O-N 2.87Å; R189-D192 PolarHBondContact O-N 3.28Å; R189-D192 VanDerWaalsContact O-N 3.07Å; R189-I193 WeakPolarHBondContact O-CG1 3.47Å; R189-I193 PolarHBondContact O-N 2.87Å |
| 190 | D | 93.5 | Very high | 94.1 | Very high | 68 Ų | 68 | 94.9 Ų | 94.9 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 179.5 | -65.5 | -10.6 | 0 | 0 | 0 | 110.5 | K186 D192 I193 H194 | K186-D190 VanDerWaalsContact O-CG 3.29Å; K186-D190 PolarHBondContact O-N 3.44Å; D190-D192 PolarHBondContact O-N 3.44Å; D190-I193 PolarHBondContact O-N 2.9Å; D190-H194 PolarHBondContact O-CD2 3.26Å; D190-H194 PolarHBondContact O-N 2.83Å |
| 191 | R | 94 | Very high | 94.1 | Very high | 146 Ų | 146 | 97.8 Ų | 97.8 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.8 | -42.8 | 174 | -173.4 | -178.3 | 70.1 | 173.4 | 3.6 | 112.4 | G187 F188 R189 H194 L195 | G187-R191 WeakPolarHBondContact O-CB 3.5Å; G187-R191 PolarHBondContact O-N 3.49Å; F188-R191 PolarHBondContact O-N 3.42Å; R189-R191 VanDerWaalsContact C-N 3.28Å; R189-R191 PolarHBondContact O-N 2.87Å; R191-H194 PolarHBondContact O-N 2.93Å; R191-L195 HydrophobicContact CG-CD1 4.16Å; R191-L195 HydrophobicContact CG-CG 4.47Å; R191-L195 WeakPolarHBondContact O-CB 3.3Å; R191-L195 VanDerWaalsContact O-CG 3.29Å; R191-L195 WeakPolarHBondContact O-CG 3.32Å; R191-L195 PolarHBondContact O-N 3.39Å |
| 192 | D | 95.1 | Very high | 93.8 | Very high | 102 Ų | 102 | 103 Ų | 103 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | -178.7 | -159.8 | 51.5 | 0 | 0 | 0 | 112.1 | F188 R189 D190 L195 T196 | F188-D192 PolarHBondContact O-N 2.91Å; R189-D192 PolarHBondContact O-N 3.28Å; R189-D192 VanDerWaalsContact O-N 3.07Å; D190-D192 PolarHBondContact O-N 3.44Å; D192-L195 PolarHBondContact O-N 3.21Å; D192-T196 WeakPolarHBondContact O-CB 3.25Å; D192-T196 PolarHBondContact O-N 2.95Å; D192-T196 PolarHBondContact O-OG1 3.5Å |
| 193 | I | 95 | Very high | 93.5 | Very high | 89 Ų | 89 | 101.4 Ų | 101.4 | 46% | 0.456 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.1 | -53.3 | 170.8 | -67.5 | 165.8 | 0 | 0 | 0 | 109.8 | R189 D190 L195 T196 E197 | R189-I193 WeakPolarHBondContact O-CG1 3.47Å; R189-I193 PolarHBondContact O-N 2.87Å; D190-I193 PolarHBondContact O-N 2.9Å; I193-L195 VanDerWaalsContact C-N 3.32Å; I193-L195 PolarHBondContact O-N 2.97Å; I193-T196 WeakPolarHBondContact O-CB 3.32Å; I193-T196 PolarHBondContact O-N 3.37Å; I193-E197 HydrophobicContact CG2-CG 4.37Å; I193-E197 WeakPolarHBondContact O-CG 3.29Å; I193-E197 PolarHBondContact O-N 3.42Å |
| 194 | H | 93.1 | Very high | 93.1 | Very high | 119 Ų | 119 | 100.4 Ų | 100.4 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.4 | -37.8 | -180 | -70.8 | -45 | 0 | 0 | 0 | 113.3 | D190 R191 T196 E197 A198 | D190-H194 PolarHBondContact O-CD2 3.26Å; D190-H194 PolarHBondContact O-N 2.83Å; R191-H194 PolarHBondContact O-N 2.93Å; H194-T196 VanDerWaalsContact C-N 3.32Å; H194-E197 IonicContact ND1-OE2 2.77Å; H194-E197 PolarHBondContact ND1-OE2 2.91Å; H194-A198 VanDerWaalsContact O-CB 3.24Å; H194-A198 WeakPolarHBondContact O-CB 3.32Å; H194-A198 PolarHBondContact O-N 3.47Å |
| 195 | L | 94.3 | Very high | 92.7 | Very high | 93 Ų | 93 | 99.3 Ų | 99.3 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 175.2 | -74.6 | 172.6 | 0 | 0 | 0 | 111.7 | R191 D192 I193 R199 | R191-L195 HydrophobicContact CG-CD1 4.16Å; R191-L195 HydrophobicContact CG-CG 4.47Å; R191-L195 WeakPolarHBondContact O-CB 3.3Å; R191-L195 VanDerWaalsContact O-CG 3.29Å; R191-L195 WeakPolarHBondContact O-CG 3.32Å; R191-L195 PolarHBondContact O-N 3.39Å; D192-L195 PolarHBondContact O-N 3.21Å; I193-L195 VanDerWaalsContact C-N 3.32Å; I193-L195 PolarHBondContact O-N 2.97Å; L195-R199 WeakPolarHBondContact O-CB 3.33Å; L195-R199 PolarHBondContact O-N 2.85Å; L195-R199 VanDerWaalsContact O-N 3.08Å |
| 196 | T | 94.4 | Very high | 92.2 | Very high | 56 Ų | 56 | 101 Ų | 101 | 34% | 0.344 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.5 | -45.3 | 177.5 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | D192 I193 H194 R199 N200 | D192-T196 WeakPolarHBondContact O-CB 3.25Å; D192-T196 PolarHBondContact O-N 2.95Å; D192-T196 PolarHBondContact O-OG1 3.5Å; I193-T196 WeakPolarHBondContact O-CB 3.32Å; I193-T196 PolarHBondContact O-N 3.37Å; H194-T196 VanDerWaalsContact C-N 3.32Å; T196-R199 WeakPolarHBondContact O-CB 3.41Å; T196-R199 PolarHBondContact O-N 2.91Å; T196-N200 VanDerWaalsContact O-CG 3.29Å; T196-N200 PolarHBondContact O-N 2.93Å |
| 197 | E | 95.1 | Very high | 91.7 | Very high | 96 Ų | 96 | 99.3 Ų | 99.3 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 173.4 | -74.1 | 175.9 | 167.2 | 0 | 0 | 111.5 | I193 H194 R199 N200 L201 | I193-E197 HydrophobicContact CG2-CG 4.37Å; I193-E197 WeakPolarHBondContact O-CG 3.29Å; I193-E197 PolarHBondContact O-N 3.42Å; H194-E197 IonicContact ND1-OE2 2.77Å; H194-E197 PolarHBondContact ND1-OE2 2.91Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 3.37Å; E197-N200 PolarHBondContact O-N 3.44Å; E197-N200 VanDerWaalsContact O-N 3.09Å; E197-L201 WeakPolarHBondContact O-CB 3.43Å; E197-L201 WeakPolarHBondContact O-CG 3.41Å; E197-L201 PolarHBondContact O-N 2.94Å |
| 198 | A | 92.3 | Very high | 91.2 | Very high | 39 Ų | 39 | 103 Ų | 103 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H194 R202 | H194-A198 VanDerWaalsContact O-CB 3.24Å; H194-A198 WeakPolarHBondContact O-CB 3.32Å; H194-A198 PolarHBondContact O-N 3.47Å; A198-R202 WeakPolarHBondContact O-CG 2.82Å; A198-R202 PolarHBondContact O-N 3.15Å; A198-R202 VanDerWaalsContact O-N 3.1Å |
| 199 | R | 93.7 | Very high | 90.5 | Very high | 141 Ų | 141 | 103.4 Ų | 103.4 | 53% | 0.532 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 175 | -166.6 | -174.3 | -66.7 | 112.9 | -3.4 | 111.7 | L195 T196 E197 R203 | L195-R199 WeakPolarHBondContact O-CB 3.33Å; L195-R199 PolarHBondContact O-N 2.85Å; L195-R199 VanDerWaalsContact O-N 3.08Å; T196-R199 WeakPolarHBondContact O-CB 3.41Å; T196-R199 PolarHBondContact O-N 2.91Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 3.37Å; R199-R203 PolarHBondContact O-N 3.44Å; R199-R203 VanDerWaalsContact O-N 3.14Å |
| 200 | N | 91.4 | Very high | 89.8 | Confident | 61 Ų | 61 | 102.5 Ų | 102.5 | 33% | 0.326 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -48.9 | 176.6 | -67.6 | -16 | 0 | 0 | 0 | 111.2 | T196 E197 R202 R203 D204 | T196-N200 VanDerWaalsContact O-CG 3.29Å; T196-N200 PolarHBondContact O-N 2.93Å; E197-N200 PolarHBondContact O-N 3.44Å; E197-N200 VanDerWaalsContact O-N 3.09Å; N200-R202 VanDerWaalsContact C-N 3.29Å; N200-R202 PolarHBondContact O-N 2.97Å; N200-R203 PolarHBondContact O-N 3.44Å; N200-R203 VanDerWaalsContact OD1-CZ 3.32Å; N200-R203 PolarHBondContact OD1-NH1 3.25Å; N200-R203 PolarHBondContact OD1-NH2 2.91Å; N200-D204 PolarHBondContact O-N 3.33Å |
| 201 | L | 93.1 | Very high | 89 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 63% | 0.628 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.3 | -38.9 | 177.3 | -72.3 | 170.4 | 0 | 0 | 0 | 112.7 | E197 K205 | E197-L201 WeakPolarHBondContact O-CB 3.43Å; E197-L201 WeakPolarHBondContact O-CG 3.41Å; E197-L201 PolarHBondContact O-N 2.94Å; L201-K205 VanDerWaalsContact O-CB 3.31Å; L201-K205 WeakPolarHBondContact O-CB 3.33Å; L201-K205 PolarHBondContact O-N 2.95Å |
| 202 | R | 89.6 | Confident | 88.3 | Confident | 179 Ų | 179 | 103.2 Ų | 103.2 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.2 | -46.9 | 173.6 | -75.2 | 177.7 | -168.2 | 176.1 | 3.6 | 111.8 | A198 N200 D204 K205 D206 | A198-R202 WeakPolarHBondContact O-CG 2.82Å; A198-R202 PolarHBondContact O-N 3.15Å; A198-R202 VanDerWaalsContact O-N 3.1Å; N200-R202 VanDerWaalsContact C-N 3.29Å; N200-R202 PolarHBondContact O-N 2.97Å; R202-D204 VanDerWaalsContact C-N 3.34Å; R202-D204 PolarHBondContact O-N 3.43Å; R202-K205 WeakPolarHBondContact O-CB 3.45Å; R202-K205 PolarHBondContact O-N 2.95Å; R202-D206 PolarHBondContact O-N 2.91Å |
| 203 | R | 89.2 | Confident | 87.3 | Confident | 125 Ų | 125 | 101.9 Ų | 101.9 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 177 | -75.2 | -167.7 | -113.6 | 89.3 | -0.1 | 112.3 | R199 N200 D206 L207 | R199-R203 PolarHBondContact O-N 3.44Å; R199-R203 VanDerWaalsContact O-N 3.14Å; N200-R203 PolarHBondContact O-N 3.44Å; N200-R203 VanDerWaalsContact OD1-CZ 3.32Å; N200-R203 PolarHBondContact OD1-NH1 3.25Å; N200-R203 PolarHBondContact OD1-NH2 2.91Å; R203-D206 PolarHBondContact O-N 2.87Å; R203-L207 WeakPolarHBondContact O-CB 3.46Å; R203-L207 PolarHBondContact O-N 3.23Å |
| 204 | D | 84.3 | Confident | 86.5 | Confident | 85 Ų | 85 | 100.9 Ų | 100.9 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.8 | -67.8 | -17.9 | 0 | 0 | 0 | 110.9 | N200 R202 D206 L207 L208 | N200-D204 PolarHBondContact O-N 3.33Å; R202-D204 VanDerWaalsContact C-N 3.34Å; R202-D204 PolarHBondContact O-N 3.43Å; D204-D206 PolarHBondContact O-N 3.4Å; D204-L207 PolarHBondContact O-N 2.99Å; D204-L208 WeakPolarHBondContact O-CB 3.39Å; D204-L208 VanDerWaalsContact O-CD1 3.32Å; D204-L208 WeakPolarHBondContact O-CD1 3.44Å; D204-L208 PolarHBondContact O-N 2.87Å |
| 205 | K | 87 | Confident | 85.6 | Confident | 119 Ų | 119 | 101.7 Ų | 101.7 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.2 | -51.6 | 173.2 | -177.4 | -159.7 | 158.6 | -176.9 | 0 | 111 | L201 R202 L207 L208 E209 | L201-K205 VanDerWaalsContact O-CB 3.31Å; L201-K205 WeakPolarHBondContact O-CB 3.33Å; L201-K205 PolarHBondContact O-N 2.95Å; R202-K205 WeakPolarHBondContact O-CB 3.45Å; R202-K205 PolarHBondContact O-N 2.95Å; K205-L207 VanDerWaalsContact C-N 3.3Å; K205-L207 PolarHBondContact O-N 3.39Å; K205-L208 PolarHBondContact O-N 3.41Å; K205-L208 VanDerWaalsContact O-N 3.15Å; K205-E209 WeakPolarHBondContact CE-OE1 3.31Å; K205-E209 IonicContact NZ-OE1 2.73Å; K205-E209 PolarHBondContact NZ-OE1 3.38Å; K205-E209 PolarHBondContact O-N 3.45Å |
| 206 | D | 83 | Confident | 84.7 | Confident | 94 Ų | 94 | 102.6 Ų | 102.6 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | -178.3 | -62.9 | -17.6 | 0 | 0 | 0 | 110.9 | R202 R203 D204 E209 E210 | R202-D206 PolarHBondContact O-N 2.91Å; R203-D206 PolarHBondContact O-N 2.87Å; D204-D206 PolarHBondContact O-N 3.4Å; D206-E209 PolarHBondContact O-N 2.96Å; D206-E210 PolarHBondContact O-N 3.48Å |
| 207 | L | 85.4 | Confident | 83.9 | Confident | 79 Ų | 79 | 107 Ų | 107 | 41% | 0.414 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.5 | 179.5 | 66.1 | 0 | 0 | 0 | 112.5 | R203 D204 K205 E210 K211 | R203-L207 WeakPolarHBondContact O-CB 3.46Å; R203-L207 PolarHBondContact O-N 3.23Å; D204-L207 PolarHBondContact O-N 2.99Å; K205-L207 VanDerWaalsContact C-N 3.3Å; K205-L207 PolarHBondContact O-N 3.39Å; L207-E210 PolarHBondContact O-N 3.3Å; L207-K211 HydrophobicContact CG-CD 4.47Å; L207-K211 WeakPolarHBondContact O-CB 3.27Å; L207-K211 WeakPolarHBondContact O-CG 3.49Å; L207-K211 PolarHBondContact O-N 3.46Å |
| 208 | L | 82.4 | Confident | 83.2 | Confident | 118 Ų | 118 | 108.5 Ų | 108.5 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.4 | -41.3 | 176.8 | -95.7 | 129.8 | 0 | 0 | 0 | 111.6 | D204 K205 K211 L212 | D204-L208 WeakPolarHBondContact O-CB 3.39Å; D204-L208 VanDerWaalsContact O-CD1 3.32Å; D204-L208 WeakPolarHBondContact O-CD1 3.44Å; D204-L208 PolarHBondContact O-N 2.87Å; K205-L208 PolarHBondContact O-N 3.41Å; K205-L208 VanDerWaalsContact O-N 3.15Å; L208-K211 PolarHBondContact O-N 2.83Å; L208-L212 WeakPolarHBondContact O-CB 3.45Å; L208-L212 PolarHBondContact O-N 3.46Å |
| 209 | E | 79.2 | Confident | 82.3 | Confident | 103 Ų | 103 | 108 Ų | 108 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 173.8 | -74.4 | -176.9 | 173.4 | 0 | 0 | 111.4 | K205 D206 L212 T213 | K205-E209 WeakPolarHBondContact CE-OE1 3.31Å; K205-E209 IonicContact NZ-OE1 2.73Å; K205-E209 PolarHBondContact NZ-OE1 3.38Å; K205-E209 PolarHBondContact O-N 3.45Å; D206-E209 PolarHBondContact O-N 2.96Å; E209-L212 PolarHBondContact O-N 3.23Å; E209-T213 WeakPolarHBondContact O-CG2 3.35Å; E209-T213 PolarHBondContact O-N 3.43Å; E209-T213 PolarHBondContact O-OG1 3.02Å |
| 210 | E | 81.6 | Confident | 81.5 | Confident | 121 Ų | 121 | 107.6 Ų | 107.6 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -44.6 | 174.7 | -172.7 | -178.1 | -176.7 | 0 | 0 | 112.2 | D206 L207 L212 T213 T214 | D206-E210 PolarHBondContact O-N 3.48Å; L207-E210 PolarHBondContact O-N 3.3Å; E210-L212 VanDerWaalsContact C-N 3.33Å; E210-L212 PolarHBondContact O-N 3.38Å; E210-T213 PolarHBondContact O-N 2.94Å; E210-T213 PolarHBondContact O-OG1 3.4Å; E210-T214 WeakPolarHBondContact O-CB 3.29Å; E210-T214 PolarHBondContact O-N 3.38Å; E210-T214 PolarHBondContact O-OG1 2.93Å |
| 211 | K | 75.3 | Confident | 80.9 | Confident | 130 Ų | 130 | 108.8 Ų | 108.8 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 175.8 | -77.1 | 176.7 | -178.9 | 178 | 0 | 111.6 | L207 L208 T214 Y215 | L207-K211 HydrophobicContact CG-CD 4.47Å; L207-K211 WeakPolarHBondContact O-CB 3.27Å; L207-K211 WeakPolarHBondContact O-CG 3.49Å; L207-K211 PolarHBondContact O-N 3.46Å; L208-K211 PolarHBondContact O-N 2.83Å; K211-T214 PolarHBondContact O-N 2.89Å; K211-Y215 VanDerWaalsContact O-CB 3.32Å; K211-Y215 WeakPolarHBondContact O-CB 3.39Å; K211-Y215 PolarHBondContact O-N 2.87Å |
| 212 | L | 78.8 | Confident | 80.2 | Confident | 99 Ų | 99 | 107 Ų | 107 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | -179.5 | -167.8 | 147.6 | 0 | 0 | 0 | 111.7 | L208 E209 E210 T214 Y215 K216 | L208-L212 WeakPolarHBondContact O-CB 3.45Å; L208-L212 PolarHBondContact O-N 3.46Å; E209-L212 PolarHBondContact O-N 3.23Å; E210-L212 VanDerWaalsContact C-N 3.33Å; E210-L212 PolarHBondContact O-N 3.38Å; L212-T214 VanDerWaalsContact C-N 3.35Å; L212-Y215 PolarHBondContact O-N 3.35Å; L212-K216 WeakPolarHBondContact O-CB 3.41Å; L212-K216 PolarHBondContact O-N 3.49Å |
| 213 | T | 74.8 | Confident | 79.4 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 45% | 0.454 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 176.7 | 56.2 | 0 | 0 | 0 | 0 | 112 | E209 E210 K216 R217 | E209-T213 WeakPolarHBondContact O-CG2 3.35Å; E209-T213 PolarHBondContact O-N 3.43Å; E209-T213 PolarHBondContact O-OG1 3.02Å; E210-T213 PolarHBondContact O-N 2.94Å; E210-T213 PolarHBondContact O-OG1 3.4Å; T213-K216 PolarHBondContact O-N 3.27Å; T213-R217 PolarHBondContact O-N 3.12Å |
| 214 | T | 77.6 | Confident | 78.7 | Confident | 67 Ų | 67 | 99.4 Ų | 99.4 | 41% | 0.411 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 175.8 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | E210 K211 L212 R217 K218 | E210-T214 WeakPolarHBondContact O-CB 3.29Å; E210-T214 PolarHBondContact O-N 3.38Å; E210-T214 PolarHBondContact O-OG1 2.93Å; K211-T214 PolarHBondContact O-N 2.89Å; L212-T214 VanDerWaalsContact C-N 3.35Å; T214-R217 PolarHBondContact O-N 3.2Å; T214-K218 WeakPolarHBondContact O-CB 3.5Å; T214-K218 PolarHBondContact O-N 3.29Å |
| 215 | Y | 75.2 | Confident | 78.5 | Confident | 136 Ų | 136 | 101.7 Ų | 101.7 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.8 | -175.8 | -96.5 | 0 | 0 | 0 | 111.8 | K211 L212 R217 K218 C219 Q295 | K211-Y215 VanDerWaalsContact O-CB 3.32Å; K211-Y215 WeakPolarHBondContact O-CB 3.39Å; K211-Y215 PolarHBondContact O-N 2.87Å; L212-Y215 PolarHBondContact O-N 3.35Å; Y215-R217 VanDerWaalsContact C-N 3.33Å; Y215-R217 PolarHBondContact O-N 3.3Å; Y215-K218 PolarHBondContact O-N 2.88Å; Y215-C219 WeakPolarHBondContact O-CB 3.49Å; Y215-C219 PolarHBondContact O-N 2.89Å; Y215-Q295 HydrophobicContact CE1-CG 4.38Å |
| 216 | K | 75.1 | Confident | 78 | Confident | 113 Ų | 113 | 100 Ų | 100 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 175.2 | -176.3 | 175.9 | -178.1 | 175.4 | 0 | 111.8 | L212 T213 K220 | L212-K216 WeakPolarHBondContact O-CB 3.41Å; L212-K216 PolarHBondContact O-N 3.49Å; T213-K216 PolarHBondContact O-N 3.27Å; K216-K220 PolarHBondContact O-N 3.08Å |
| 217 | R | 78 | Confident | 77.4 | Confident | 148 Ų | 148 | 97.5 Ų | 97.5 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -49.5 | 176.1 | -171.4 | -174.7 | -60.1 | 114.7 | 1.8 | 110.7 | T213 T214 Y215 C219 K220 D221 | T213-R217 PolarHBondContact O-N 3.12Å; T214-R217 PolarHBondContact O-N 3.2Å; Y215-R217 VanDerWaalsContact C-N 3.33Å; Y215-R217 PolarHBondContact O-N 3.3Å; R217-C219 VanDerWaalsContact C-N 3.35Å; R217-C219 PolarHBondContact O-N 3.05Å; R217-K220 WeakPolarHBondContact O-CB 3.24Å; R217-K220 PolarHBondContact O-N 3.14Å; R217-K220 VanDerWaalsContact O-N 3.15Å; R217-D221 VanDerWaalsContact O-CG 3.27Å; R217-D221 PolarHBondContact O-N 3.1Å |
| 218 | K | 79.8 | Confident | 76.7 | Confident | 127 Ų | 127 | 96.3 Ų | 96.3 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | -179 | -166.2 | 177.2 | 179.9 | -179.3 | 0 | 112.6 | T214 Y215 K220 D221 D222 | T214-K218 WeakPolarHBondContact O-CB 3.5Å; T214-K218 PolarHBondContact O-N 3.29Å; Y215-K218 PolarHBondContact O-N 2.88Å; K218-K220 VanDerWaalsContact C-N 3.34Å; K218-K220 PolarHBondContact O-N 2.97Å; K218-D221 PolarHBondContact O-N 3.32Å; K218-D222 WeakPolarHBondContact O-CB 3.47Å; K218-D222 PolarHBondContact O-N 2.89Å |
| 219 | C | 74.7 | Confident | 76.4 | Confident | 30 Ų | 30 | 92.5 Ų | 92.5 | 20% | 0.203 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | Y215 R217 F223 | Y215-C219 WeakPolarHBondContact O-CB 3.49Å; Y215-C219 PolarHBondContact O-N 2.89Å; R217-C219 VanDerWaalsContact C-N 3.35Å; R217-C219 PolarHBondContact O-N 3.05Å; C219-F223 WeakPolarHBondContact O-CB 3.31Å; C219-F223 PolarHBondContact O-N 3.34Å |
| 220 | K | 75.2 | Confident | 76 | Confident | 132 Ų | 132 | 90.7 Ų | 90.7 | 57% | 0.574 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 172.7 | -176.1 | -177.3 | 177.5 | -179.4 | 0 | 111.2 | K216 R217 K218 F223 V224 | K216-K220 PolarHBondContact O-N 3.08Å; R217-K220 WeakPolarHBondContact O-CB 3.24Å; R217-K220 PolarHBondContact O-N 3.14Å; R217-K220 VanDerWaalsContact O-N 3.15Å; K218-K220 VanDerWaalsContact C-N 3.34Å; K218-K220 PolarHBondContact O-N 2.97Å; K220-F223 PolarHBondContact O-N 3.39Å; K220-V224 VanDerWaalsContact O-CG2 3.31Å; K220-V224 WeakPolarHBondContact O-CG2 3.43Å; K220-V224 PolarHBondContact O-N 3.37Å |
| 221 | D | 79.3 | Confident | 75.5 | Confident | 85 Ų | 85 | 91.1 Ų | 91.1 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | -178.5 | -64.5 | -19.1 | 0 | 0 | 0 | 111.4 | R217 K218 F223 V224 Q225 | R217-D221 VanDerWaalsContact O-CG 3.27Å; R217-D221 PolarHBondContact O-N 3.1Å; K218-D221 PolarHBondContact O-N 3.32Å; D221-F223 VanDerWaalsContact C-N 3.3Å; D221-F223 PolarHBondContact O-N 3.45Å; D221-V224 PolarHBondContact O-N 2.93Å; D221-Q225 VanDerWaalsContact O-CB 3.26Å; D221-Q225 WeakPolarHBondContact O-CB 3.33Å; D221-Q225 PolarHBondContact O-N 3.32Å |
| 222 | D | 78.4 | Confident | 75.7 | Confident | 83 Ų | 83 | 87.9 Ų | 87.9 | 44% | 0.444 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 176.4 | -70.9 | -17.5 | 0 | 0 | 0 | 111.1 | K218 Q225 A226 | K218-D222 WeakPolarHBondContact O-CB 3.47Å; K218-D222 PolarHBondContact O-N 2.89Å; D222-Q225 PolarHBondContact O-N 2.68Å; D222-A226 WeakPolarHBondContact O-CB 3.46Å; D222-A226 PolarHBondContact O-N 3.44Å |
| 223 | F | 72.4 | Confident | 75.6 | Confident | 59 Ų | 59 | 88 Ų | 88 | 26% | 0.259 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.1 | -47 | 176 | -176.9 | -104 | 0 | 0 | 0 | 112.2 | C219 K220 D221 Q225 A226 L227 V287 | C219-F223 WeakPolarHBondContact O-CB 3.31Å; C219-F223 PolarHBondContact O-N 3.34Å; K220-F223 PolarHBondContact O-N 3.39Å; D221-F223 VanDerWaalsContact C-N 3.3Å; D221-F223 PolarHBondContact O-N 3.45Å; F223-Q225 VanDerWaalsContact C-N 3.25Å; F223-Q225 PolarHBondContact O-N 3.34Å; F223-A226 PolarHBondContact O-N 2.82Å; F223-L227 HydrophobicContact CD1-CD1 3.7Å; F223-L227 HydrophobicContact CE1-CD1 3.23Å; F223-L227 HydrophobicContact CE1-CG 4.45Å; F223-L227 HydrophobicContact CE2-CD1 4.14Å; F223-L227 HydrophobicContact CG-CD1 4.34Å; F223-L227 HydrophobicContact CZ-CD1 3.48Å; F223-L227 VanDerWaalsContact CZ-CD1 3.48Å; F223-L227 HydrophobicContact CZ-CG 4.42Å; F223-L227 WeakPolarHBondContact O-CG 3.32Å; F223-L227 PolarHBondContact O-N 3.15Å; F223-L227 VanDerWaalsContact O-N 3.15Å; F223-V287 HydrophobicContact CE2-CG1 4.24Å; F223-V287 HydrophobicContact CZ-CB 4.27Å; F223-V287 HydrophobicContact CZ-CG1 3.63Å |
| 224 | V | 74.6 | Confident | 75.5 | Confident | 85 Ų | 85 | 85.2 Ų | 85.2 | 52% | 0.515 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | K220 D221 L227 S228 | K220-V224 VanDerWaalsContact O-CG2 3.31Å; K220-V224 WeakPolarHBondContact O-CG2 3.43Å; K220-V224 PolarHBondContact O-N 3.37Å; D221-V224 PolarHBondContact O-N 2.93Å; V224-L227 CarbonylContact O-C 3.49Å; V224-L227 PolarHBondContact O-N 3.46Å; V224-S228 PolarHBondContact O-N 2.91Å |
| 225 | Q | 80.1 | Confident | 75.5 | Confident | 133 Ų | 133 | 85 Ų | 85 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.2 | -42.4 | 177.1 | -175 | 170.1 | 1.2 | 0 | 0 | 112.1 | D221 D222 F223 L227 S228 | D221-Q225 VanDerWaalsContact O-CB 3.26Å; D221-Q225 WeakPolarHBondContact O-CB 3.33Å; D221-Q225 PolarHBondContact O-N 3.32Å; D222-Q225 PolarHBondContact O-N 2.68Å; F223-Q225 VanDerWaalsContact C-N 3.25Å; F223-Q225 PolarHBondContact O-N 3.34Å; Q225-L227 PolarHBondContact O-N 3.02Å; Q225-S228 WeakPolarHBondContact O-CB 3.49Å; Q225-S228 PolarHBondContact O-N 3.48Å; Q225-S228 PolarHBondContact O-OG 3.11Å |
| 226 | A | 76.6 | Confident | 75.8 | Confident | 83 Ų | 83 | 85.6 Ų | 85.6 | 69% | 0.686 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.8 | -31 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D222 F223 | D222-A226 WeakPolarHBondContact O-CB 3.46Å; D222-A226 PolarHBondContact O-N 3.44Å; F223-A226 PolarHBondContact O-N 2.82Å |
| 227 | L | 69.9 | Low | 75.9 | Confident | 43 Ų | 43 | 85.7 Ų | 85.7 | 23% | 0.225 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -89.3 | -11.8 | 179.6 | -67 | 169.2 | 0 | 0 | 0 | 114.5 | F223 V224 Q225 G229 V230 L284 | F223-L227 HydrophobicContact CD1-CD1 3.7Å; F223-L227 HydrophobicContact CE1-CD1 3.23Å; F223-L227 HydrophobicContact CE1-CG 4.45Å; F223-L227 HydrophobicContact CE2-CD1 4.14Å; F223-L227 HydrophobicContact CG-CD1 4.34Å; F223-L227 HydrophobicContact CZ-CD1 3.48Å; F223-L227 VanDerWaalsContact CZ-CD1 3.48Å; F223-L227 HydrophobicContact CZ-CG 4.42Å; F223-L227 WeakPolarHBondContact O-CG 3.32Å; F223-L227 PolarHBondContact O-N 3.15Å; F223-L227 VanDerWaalsContact O-N 3.15Å; V224-L227 CarbonylContact O-C 3.49Å; V224-L227 PolarHBondContact O-N 3.46Å; Q225-L227 PolarHBondContact O-N 3.02Å; L227-G229 PolarHBondContact O-N 3.39Å; L227-V230 PolarHBondContact O-N 3.31Å; L227-L284 HydrophobicContact CB-CD1 4.48Å; L227-L284 HydrophobicContact CD1-CB 4.31Å; L227-L284 HydrophobicContact CD1-CD1 4.22Å; L227-L284 HydrophobicContact CD1-CD2 3.66Å; L227-L284 HydrophobicContact CD1-CG 4.25Å; L227-L284 HydrophobicContact CD2-CD2 3.69Å; L227-L284 HydrophobicContact CG-CD2 4.24Å |
| 228 | S | 72.3 | Confident | 75.8 | Confident | 53 Ų | 53 | 80.1 Ų | 80.1 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.5 | -23.8 | 177.8 | 69.8 | 0 | 0 | 0 | 0 | 113.6 | V224 Q225 V230 Q231 T232 | V224-S228 PolarHBondContact O-N 2.91Å; Q225-S228 WeakPolarHBondContact O-CB 3.49Å; Q225-S228 PolarHBondContact O-N 3.48Å; Q225-S228 PolarHBondContact O-OG 3.11Å; S228-V230 VanDerWaalsContact C-N 3.3Å; S228-V230 PolarHBondContact O-N 3.23Å; S228-Q231 PolarHBondContact O-N 3Å; S228-T232 WeakPolarHBondContact O-CB 3.39Å; S228-T232 PolarHBondContact O-N 2.92Å; S228-T232 PolarHBondContact O-OG1 2.96Å |
| 229 | G | 76.4 | Confident | 75.9 | Confident | 38 Ų | 38 | 78.1 Ų | 78.1 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L227 T232 V233 | L227-G229 PolarHBondContact O-N 3.39Å; G229-T232 WeakPolarHBondContact O-CB 3.22Å; G229-T232 PolarHBondContact O-N 3.49Å; G229-V233 VanDerWaalsContact O-CG2 3.27Å; G229-V233 WeakPolarHBondContact O-CG2 3.36Å; G229-V233 PolarHBondContact O-N 3.19Å |
| 230 | V | 70.6 | Confident | 76.1 | Confident | 66 Ų | 66 | 83.5 Ų | 83.5 | 40% | 0.4 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.6 | -50.9 | 179.1 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | L227 S228 T232 V233 T234 | L227-V230 PolarHBondContact O-N 3.31Å; S228-V230 VanDerWaalsContact C-N 3.3Å; S228-V230 PolarHBondContact O-N 3.23Å; V230-T232 VanDerWaalsContact C-N 3.26Å; V230-T232 PolarHBondContact O-N 3.41Å; V230-V233 PolarHBondContact O-N 3.49Å; V230-V233 VanDerWaalsContact O-N 3.14Å; V230-T234 PolarHBondContact O-N 2.93Å; V230-T234 PolarHBondContact O-OG1 3.04Å |
| 231 | Q | 70.7 | Confident | 76.1 | Confident | 129 Ų | 129 | 77.8 Ų | 77.8 | 60% | 0.603 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.4 | -40.6 | 175.6 | -168.9 | -178.3 | 13.7 | 0 | 0 | 111.4 | S228 V233 T234 T235 | S228-Q231 PolarHBondContact O-N 3Å; Q231-V233 PolarHBondContact O-N 2.94Å; Q231-T234 PolarHBondContact O-N 3.05Å; Q231-T235 WeakPolarHBondContact O-CB 3.34Å; Q231-T235 PolarHBondContact O-N 3.49Å; Q231-T235 PolarHBondContact O-OG1 3.37Å |
| 232 | T | 78.4 | Confident | 75.7 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.8 | -59 | 0 | 0 | 0 | 0 | 112 | S228 G229 V230 K236 | S228-T232 WeakPolarHBondContact O-CB 3.39Å; S228-T232 PolarHBondContact O-N 2.92Å; S228-T232 PolarHBondContact O-OG1 2.96Å; G229-T232 WeakPolarHBondContact O-CB 3.22Å; G229-T232 PolarHBondContact O-N 3.49Å; V230-T232 VanDerWaalsContact C-N 3.26Å; V230-T232 PolarHBondContact O-N 3.41Å; T232-K236 HydrophobicContact CG2-CD 4.19Å; T232-K236 HydrophobicContact CG2-CG 4.49Å; T232-K236 WeakPolarHBondContact O-CB 3.39Å; T232-K236 WeakPolarHBondContact O-CG 3.37Å; T232-K236 PolarHBondContact O-N 2.91Å |
| 233 | V | 77.3 | Confident | 75.4 | Confident | 102 Ų | 102 | 78.5 Ų | 78.5 | 62% | 0.618 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.4 | -46.7 | 177.7 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | G229 V230 Q231 T235 K236 F237 | G229-V233 VanDerWaalsContact O-CG2 3.27Å; G229-V233 WeakPolarHBondContact O-CG2 3.36Å; G229-V233 PolarHBondContact O-N 3.19Å; V230-V233 PolarHBondContact O-N 3.49Å; V230-V233 VanDerWaalsContact O-N 3.14Å; Q231-V233 PolarHBondContact O-N 2.94Å; V233-T235 PolarHBondContact O-N 3.45Å; V233-K236 PolarHBondContact O-N 3.07Å; V233-F237 VanDerWaalsContact O-CB 3.29Å; V233-F237 WeakPolarHBondContact O-CB 3.41Å; V233-F237 PolarHBondContact O-N 3.33Å |
| 234 | T | 73.1 | Confident | 75.2 | Confident | 16 Ų | 16 | 81.4 Ų | 81.4 | 10% | 0.098 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 178.9 | -41 | 0 | 0 | 0 | 0 | 111.6 | V230 Q231 K236 F237 L238 S273 E277 | V230-T234 PolarHBondContact O-N 2.93Å; V230-T234 PolarHBondContact O-OG1 3.04Å; Q231-T234 PolarHBondContact O-N 3.05Å; T234-K236 PolarHBondContact O-N 2.99Å; T234-F237 PolarHBondContact O-N 3Å; T234-L238 HydrophobicContact CG2-CD1 4.49Å; T234-L238 WeakPolarHBondContact O-CB 3.49Å; T234-L238 WeakPolarHBondContact O-CG 3.34Å; T234-L238 PolarHBondContact O-N 3.07Å; T234-S273 WeakPolarHBondContact CG2-OG 3.35Å; T234-E277 VanDerWaalsContact CB-OE1 3.25Å; T234-E277 WeakPolarHBondContact CB-OE1 3.41Å; T234-E277 VanDerWaalsContact CG2-CD 3.49Å; T234-E277 HydrophobicContact CG2-CG 3.9Å; T234-E277 VanDerWaalsContact CG2-OE1 3.31Å; T234-E277 WeakPolarHBondContact CG2-OE1 3.36Å |
| 235 | T | 77.1 | Confident | 74.6 | Confident | 63 Ų | 63 | 79.7 Ų | 79.7 | 39% | 0.387 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 179 | -44.9 | 0 | 0 | 0 | 0 | 111.6 | Q231 V233 N239 | Q231-T235 WeakPolarHBondContact O-CB 3.34Å; Q231-T235 PolarHBondContact O-N 3.49Å; Q231-T235 PolarHBondContact O-OG1 3.37Å; V233-T235 PolarHBondContact O-N 3.45Å; T235-N239 WeakPolarHBondContact O-CB 3.48Å; T235-N239 PolarHBondContact O-N 2.92Å; T235-N239 PolarHBondContact O-ND2 2.92Å |
| 236 | K | 81.8 | Confident | 73.6 | Confident | 147 Ų | 147 | 77 Ų | 77 | 64% | 0.639 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | 175.5 | -78.2 | -175.2 | 179 | -178.3 | 0 | 112 | T232 V233 T234 K240 | T232-K236 HydrophobicContact CG2-CD 4.19Å; T232-K236 HydrophobicContact CG2-CG 4.49Å; T232-K236 WeakPolarHBondContact O-CB 3.39Å; T232-K236 WeakPolarHBondContact O-CG 3.37Å; T232-K236 PolarHBondContact O-N 2.91Å; V233-K236 PolarHBondContact O-N 3.07Å; T234-K236 PolarHBondContact O-N 2.99Å; K236-K240 WeakPolarHBondContact O-CB 3.41Å; K236-K240 PolarHBondContact O-N 3.09Å |
| 237 | F | 76.6 | Confident | 72.6 | Confident | 115 Ų | 115 | 81.5 Ų | 81.5 | 50% | 0.504 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 176.2 | -177.5 | -107.2 | 0 | 0 | 0 | 111.4 | V233 T234 K240 I241 | V233-F237 VanDerWaalsContact O-CB 3.29Å; V233-F237 WeakPolarHBondContact O-CB 3.41Å; V233-F237 PolarHBondContact O-N 3.33Å; T234-F237 PolarHBondContact O-N 3Å; F237-K240 WeakPolarHBondContact O-CB 3.47Å; F237-K240 PolarHBondContact O-N 2.74Å; F237-K240 VanDerWaalsContact O-N 3.12Å; F237-I241 HydrophobicContact CD1-CD1 3.66Å; F237-I241 HydrophobicContact CE1-CD1 3.3Å; F237-I241 HydrophobicContact CE1-CG1 4.36Å; F237-I241 HydrophobicContact CE2-CD1 4.43Å; F237-I241 HydrophobicContact CG-CD1 4.38Å; F237-I241 HydrophobicContact CZ-CD1 3.73Å; F237-I241 HydrophobicContact CZ-CG1 4.42Å; F237-I241 WeakPolarHBondContact O-CG1 3.25Å; F237-I241 PolarHBondContact O-N 3.02Å |
| 238 | L | 76.6 | Confident | 71.7 | Confident | 32 Ų | 32 | 83.4 Ų | 83.4 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 173.5 | -76.6 | 172.4 | 0 | 0 | 0 | 111.9 | T234 K240 I241 D242 T270 S273 | T234-L238 HydrophobicContact CG2-CD1 4.49Å; T234-L238 WeakPolarHBondContact O-CB 3.49Å; T234-L238 WeakPolarHBondContact O-CG 3.34Å; T234-L238 PolarHBondContact O-N 3.07Å; L238-K240 VanDerWaalsContact C-N 3.27Å; L238-K240 PolarHBondContact O-N 3.09Å; L238-I241 WeakPolarHBondContact O-CB 3.36Å; L238-I241 PolarHBondContact O-N 3.48Å; L238-I241 VanDerWaalsContact O-N 3.15Å; L238-D242 PolarHBondContact O-N 2.87Å; L238-T270 HydrophobicContact CD2-CG2 4.12Å; L238-S273 WeakPolarHBondContact CD2-OG 3.22Å; L238-S273 WeakPolarHBondContact CG-OG 3.33Å |
| 239 | N | 80.8 | Confident | 70.9 | Confident | 84 Ų | 84 | 85.4 Ų | 85.4 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.3 | -36.2 | 174.7 | -85 | -34.5 | 0 | 0 | 0 | 112.4 | T235 N243 | T235-N239 WeakPolarHBondContact O-CB 3.48Å; T235-N239 PolarHBondContact O-N 2.92Å; T235-N239 PolarHBondContact O-ND2 2.92Å; N239-N243 VanDerWaalsContact O-CB 3.29Å; N239-N243 WeakPolarHBondContact O-CB 3.49Å; N239-N243 VanDerWaalsContact O-CG 3.29Å; N239-N243 PolarHBondContact O-N 2.84Å; N239-N243 PolarHBondContact O-ND2 3.44Å |
| 240 | K | 80.2 | Confident | 69.7 | Low | 144 Ų | 144 | 89 Ų | 89 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.2 | -39.8 | 176.7 | -155.2 | 85.1 | 176.8 | -173 | 0 | 111 | K236 F237 L238 N243 L244 | K236-K240 WeakPolarHBondContact O-CB 3.41Å; K236-K240 PolarHBondContact O-N 3.09Å; F237-K240 WeakPolarHBondContact O-CB 3.47Å; F237-K240 PolarHBondContact O-N 2.74Å; F237-K240 VanDerWaalsContact O-N 3.12Å; L238-K240 VanDerWaalsContact C-N 3.27Å; L238-K240 PolarHBondContact O-N 3.09Å; K240-N243 PolarHBondContact O-N 2.99Å; K240-L244 HydrophobicContact CG-CD1 4.23Å; K240-L244 WeakPolarHBondContact O-CB 3.49Å; K240-L244 WeakPolarHBondContact O-CD1 3.32Å; K240-L244 WeakPolarHBondContact O-CG 3.3Å; K240-L244 PolarHBondContact O-N 2.9Å |
| 241 | I | 73.9 | Confident | 68.7 | Low | 11 Ų | 11 | 94.3 Ų | 94.3 | 6% | 0.056 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 173.7 | -71 | 166.1 | 0 | 0 | 0 | 110.1 | F237 L238 N243 L244 F245 K266 C269 | F237-I241 HydrophobicContact CD1-CD1 3.66Å; F237-I241 HydrophobicContact CE1-CD1 3.3Å; F237-I241 HydrophobicContact CE1-CG1 4.36Å; F237-I241 HydrophobicContact CE2-CD1 4.43Å; F237-I241 HydrophobicContact CG-CD1 4.38Å; F237-I241 HydrophobicContact CZ-CD1 3.73Å; F237-I241 HydrophobicContact CZ-CG1 4.42Å; F237-I241 WeakPolarHBondContact O-CG1 3.25Å; F237-I241 PolarHBondContact O-N 3.02Å; L238-I241 WeakPolarHBondContact O-CB 3.36Å; L238-I241 PolarHBondContact O-N 3.48Å; L238-I241 VanDerWaalsContact O-N 3.15Å; I241-N243 VanDerWaalsContact C-N 3.27Å; I241-N243 PolarHBondContact O-N 2.82Å; I241-L244 PolarHBondContact O-N 3.5Å; I241-F245 HydrophobicContact CG2-CD2 4.38Å; I241-F245 HydrophobicContact CG2-CE2 3.93Å; I241-F245 WeakPolarHBondContact O-CD2 3.37Å; I241-K266 HydrophobicContact CG2-CG 4.44Å; I241-C269 HydrophobicContact CD1-CB 3.68Å; I241-C269 HydrophobicContact CG2-CB 4.47Å |
| 242 | D | 71.1 | Confident | 67.7 | Low | 59 Ų | 59 | 96.4 Ų | 96.4 | 32% | 0.316 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -33.1 | -179.4 | -78.1 | -31.4 | 0 | 0 | 0 | 112.5 | L238 K266 | L238-D242 PolarHBondContact O-N 2.87Å; D242-K266 WeakPolarHBondContact OD1-CE 3.39Å; D242-K266 IonicContact OD1-NZ 3.78Å |
| 243 | N | 72.4 | Confident | 66.5 | Low | 125 Ų | 125 | 95.3 Ų | 95.3 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -88 | -18.4 | 177.5 | -70.3 | -54.4 | 0 | 0 | 0 | 114.6 | N239 K240 I241 F245 | N239-N243 VanDerWaalsContact O-CB 3.29Å; N239-N243 WeakPolarHBondContact O-CB 3.49Å; N239-N243 VanDerWaalsContact O-CG 3.29Å; N239-N243 PolarHBondContact O-N 2.84Å; N239-N243 PolarHBondContact O-ND2 3.44Å; K240-N243 PolarHBondContact O-N 2.99Å; I241-N243 VanDerWaalsContact C-N 3.27Å; I241-N243 PolarHBondContact O-N 2.82Å; N243-F245 PolarHBondContact O-N 3.31Å |
| 244 | L | 69 | Low | 65.5 | Low | 119 Ų | 119 | 96.5 Ų | 96.5 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.8 | -21.8 | 172.1 | -93.1 | 159.4 | 0 | 0 | 0 | 111.4 | K240 I241 P246 | K240-L244 HydrophobicContact CG-CD1 4.23Å; K240-L244 WeakPolarHBondContact O-CB 3.49Å; K240-L244 WeakPolarHBondContact O-CD1 3.32Å; K240-L244 WeakPolarHBondContact O-CG 3.3Å; K240-L244 PolarHBondContact O-N 2.9Å; I241-L244 PolarHBondContact O-N 3.5Å; L244-P246 WeakPolarHBondContact O-CD 3.45Å |
| 245 | F | 61.4 | Low | 65 | Low | 50 Ų | 50 | 98.5 Ų | 98.5 | 22% | 0.219 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -108.9 | 92.1 | 176.4 | -54.7 | -62.2 | 0 | 0 | 0 | 109.7 | I241 N243 H247 L262 K266 | I241-F245 HydrophobicContact CG2-CD2 4.38Å; I241-F245 HydrophobicContact CG2-CE2 3.93Å; I241-F245 WeakPolarHBondContact O-CD2 3.37Å; N243-F245 PolarHBondContact O-N 3.31Å; F245-H247 PolarHBondContact O-N 3.48Å; F245-L262 HydrophobicContact CD1-CD1 4.1Å; F245-L262 HydrophobicContact CD1-CD2 3.77Å; F245-L262 HydrophobicContact CD1-CG 3.87Å; F245-L262 HydrophobicContact CE1-CD1 3.58Å; F245-L262 HydrophobicContact CE1-CD2 4.1Å; F245-L262 HydrophobicContact CE1-CG 3.68Å; F245-K266 HydrophobicContact CD2-CB 4.3Å; F245-K266 HydrophobicContact CD2-CD 4.08Å; F245-K266 HydrophobicContact CD2-CG 4.11Å; F245-K266 HydrophobicContact CE2-CB 3.97Å; F245-K266 HydrophobicContact CE2-CG 4.11Å |
| 246 | P | 58.7 | Low | 64.6 | Low | 75 Ų | 75 | 103.7 Ų | 103.7 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | trans | -59.2 | 134.2 | -177.9 | 23.7 | -32.6 | 0 | 0 | 0 | 110.8 | L244 S248 | L244-P246 WeakPolarHBondContact O-CD 3.45Å; P246-S248 WeakPolarHBondContact CB-O 3.24Å; P246-S248 CarbonylContact O-C 3.26Å; P246-S248 PolarHBondContact O-N 2.93Å; P246-S248 VanDerWaalsContact O-N 3.11Å | ||
| 247 | H | 55.3 | Low | 64.1 | Low | 179 Ų | 179 | 99.6 Ų | 99.6 | 83% | 0.829 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -60.4 | -19.2 | 176.8 | -69.4 | -2.8 | 0 | 0 | 0 | 113.1 | F245 | F245-H247 PolarHBondContact O-N 3.48Š|
| 248 | S | 51.8 | Low | 63.8 | Low | 82 Ų | 82 | 98.9 Ų | 98.9 | 57% | 0.573 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -104.6 | 107.3 | 163.9 | 57 | 0 | 0 | 0 | 0 | 108.7 | P246 T250 | P246-S248 WeakPolarHBondContact CB-O 3.24Å; P246-S248 CarbonylContact O-C 3.26Å; P246-S248 PolarHBondContact O-N 2.93Å; P246-S248 VanDerWaalsContact O-N 3.11Å; S248-T250 VanDerWaalsContact C-N 3.27Å; S248-T250 PolarHBondContact O-N 3.4Å; S248-T250 PolarHBondContact O-OG1 2.97Å |
| 249 | L | 54.7 | Low | 63.6 | Low | 96 Ų | 96 | 103.2 Ų | 103.2 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | trans | -60.3 | 88.8 | 167.7 | -84 | 84.8 | 0 | 0 | 0 | 109.5 | L253 | L249-L253 HydrophobicContact CD2-CB 3.89Å; L249-L253 HydrophobicContact CD2-CD1 3.61Å; L249-L253 HydrophobicContact CD2-CG 4.17Å; L249-L253 HydrophobicContact CG-CD1 4.41Å | ||
| 250 | T | 52.3 | Low | 63.5 | Low | 113 Ų | 113 | 105.8 Ų | 105.8 | 69% | 0.693 | 54% | 0.538 | S | S | * | . | trans | -76.7 | -16.4 | 173.4 | -15.6 | 0 | 0 | 0 | 0 | 111.8 | S248 | S248-T250 VanDerWaalsContact C-N 3.27Å; S248-T250 PolarHBondContact O-N 3.4Å; S248-T250 PolarHBondContact O-OG1 2.97Å | ||
| 251 | F | 49.3 | Very low | 63.4 | Low | 178 Ų | 178 | 104.9 Ų | 104.9 | 78% | 0.781 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -90.5 | 120.3 | 164.8 | -79 | -87 | 0 | 0 | 0 | 108.4 | L253 | F251-L253 PolarHBondContact O-N 2.94Š|
| 252 | H | 50.4 | Low | 63.4 | Low | 173 Ų | 173 | 107.1 Ų | 107.1 | 80% | 0.801 | 55% | 0.548 | S | S | * | . | trans | -58.9 | 82.4 | 167 | -70.6 | -86.2 | 0 | 0 | 0 | 109.7 | T254 | H252-T254 HydrophobicContact CB-CG2 3.83Å; H252-T254 PolarHBondContact O-N 3.3Å | ||
| 253 | L | 53.6 | Low | 63.8 | Low | 39 Ų | 39 | 109.7 Ų | 109.7 | 20% | 0.204 | 56% | 0.558 | C | S | . | * | trans | -68.2 | 76.3 | 159.2 | -72.8 | 165.2 | 0 | 0 | 0 | 105.9 | L249 F251 C255 Q258 R259 L262 | L249-L253 HydrophobicContact CD2-CB 3.89Å; L249-L253 HydrophobicContact CD2-CD1 3.61Å; L249-L253 HydrophobicContact CD2-CG 4.17Å; L249-L253 HydrophobicContact CG-CD1 4.41Å; F251-L253 PolarHBondContact O-N 2.94Å; L253-C255 PolarHBondContact O-N 3.37Å; L253-Q258 HydrophobicContact CD2-CB 3.78Å; L253-R259 PolarHBondContact O-NH2 2.97Å; L253-L262 HydrophobicContact CD1-CD2 4.02Å | ||
| 254 | T | 55.4 | Low | 64.3 | Low | 127 Ų | 127 | 107.2 Ų | 107.2 | 78% | 0.779 | 55% | 0.547 | S | S | * | . | trans | -67.5 | -16.3 | -179.9 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | H252 | H252-T254 HydrophobicContact CB-CG2 3.83Å; H252-T254 PolarHBondContact O-N 3.3Å | ||
| 255 | C | 62.8 | Low | 64.9 | Low | 58 Ų | 58 | 105.8 Ų | 105.8 | 39% | 0.392 | 54% | 0.54 | S | S | . | . | trans | -100.3 | 116.6 | -179.9 | -163.7 | 0 | 0 | 0 | 0 | 111.5 | L253 S257 Q258 R259 | L253-C255 PolarHBondContact O-N 3.37Å; C255-S257 PolarHBondContact O-N 2.95Å; C255-Q258 HydrophobicContact CB-CB 4.46Å; C255-Q258 HydrophobicContact CB-CG 4.21Å; C255-Q258 PolarHBondContact O-N 2.71Å; C255-Q258 VanDerWaalsContact O-N 3.08Å; C255-R259 PolarHBondContact O-N 2.87Å | ||
| 256 | K | 68.9 | Low | 65.8 | Low | 171 Ų | 171 | 105.8 Ų | 105.8 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -49.6 | -39.9 | 174.8 | -102.8 | -178.1 | 174.3 | -178.4 | 0 | 112.7 | Q258 R259 E260 | K256-Q258 PolarHBondContact O-N 3.44Å; K256-R259 PolarHBondContact O-N 3.43Å; K256-E260 PolarHBondContact O-N 3.41Å |
| 257 | S | 71.5 | Confident | 67 | Low | 61 Ų | 61 | 104.7 Ų | 104.7 | 43% | 0.427 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 179 | 160.7 | 0 | 0 | 0 | 0 | 112.8 | C255 R259 E260 Q261 | C255-S257 PolarHBondContact O-N 2.95Å; S257-R259 VanDerWaalsContact C-N 3.33Å; S257-R259 PolarHBondContact O-N 3.2Å; S257-E260 PolarHBondContact O-N 3.45Å; S257-Q261 WeakPolarHBondContact O-CG 3.43Å; S257-Q261 PolarHBondContact O-N 2.86Å |
| 258 | Q | 69.3 | Low | 68.5 | Low | 101 Ų | 101 | 100.5 Ų | 100.5 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -33.3 | 179.1 | -70.8 | 178.2 | -29.8 | 0 | 0 | 112.1 | L253 C255 K256 L262 | L253-Q258 HydrophobicContact CD2-CB 3.78Å; C255-Q258 HydrophobicContact CB-CB 4.46Å; C255-Q258 HydrophobicContact CB-CG 4.21Å; C255-Q258 PolarHBondContact O-N 2.71Å; C255-Q258 VanDerWaalsContact O-N 3.08Å; K256-Q258 PolarHBondContact O-N 3.44Å; Q258-L262 WeakPolarHBondContact O-CB 3.45Å; Q258-L262 PolarHBondContact O-N 2.98Å |
| 259 | R | 72.8 | Confident | 69.7 | Low | 123 Ų | 123 | 98.7 Ų | 98.7 | 46% | 0.464 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 174.7 | -171.6 | -178.9 | -58.1 | 161.2 | 5.7 | 111.8 | L253 C255 K256 S257 L262 E263 | L253-R259 PolarHBondContact O-NH2 2.97Å; C255-R259 PolarHBondContact O-N 2.87Å; K256-R259 PolarHBondContact O-N 3.43Å; S257-R259 VanDerWaalsContact C-N 3.33Å; S257-R259 PolarHBondContact O-N 3.2Å; R259-L262 PolarHBondContact O-N 3.37Å; R259-E263 PolarHBondContact O-N 3.37Å |
| 260 | E | 78.8 | Confident | 70.8 | Confident | 137 Ų | 137 | 95.4 Ų | 95.4 | 64% | 0.64 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 174.8 | -83.9 | 175.7 | 168.7 | 0 | 0 | 111.9 | K256 S257 L262 E263 T264 | K256-E260 PolarHBondContact O-N 3.41Å; S257-E260 PolarHBondContact O-N 3.45Å; E260-L262 VanDerWaalsContact C-N 3.31Å; E260-L262 PolarHBondContact O-N 3.05Å; E260-E263 PolarHBondContact O-N 2.91Å; E260-T264 WeakPolarHBondContact O-CB 3.21Å; E260-T264 PolarHBondContact O-N 3.41Å; E260-T264 PolarHBondContact O-OG1 3.22Å |
| 261 | Q | 77.5 | Confident | 72.3 | Confident | 125 Ų | 125 | 94.2 Ų | 94.2 | 58% | 0.584 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.8 | -38.8 | 175.7 | -73.9 | -165.4 | -15.1 | 0 | 0 | 112.1 | S257 T264 I265 | S257-Q261 WeakPolarHBondContact O-CG 3.43Å; S257-Q261 PolarHBondContact O-N 2.86Å; Q261-T264 WeakPolarHBondContact O-CB 3.33Å; Q261-T264 PolarHBondContact O-N 2.91Å; Q261-I265 VanDerWaalsContact O-CG1 3.26Å; Q261-I265 WeakPolarHBondContact O-CG1 3.5Å; Q261-I265 PolarHBondContact O-N 2.92Å |
| 262 | L | 74.8 | Confident | 73.9 | Confident | 58 Ų | 58 | 90.8 Ų | 90.8 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 177.9 | -156.9 | 78.9 | 0 | 0 | 0 | 112.2 | F245 L253 Q258 R259 E260 T264 I265 K266 | F245-L262 HydrophobicContact CD1-CD1 4.1Å; F245-L262 HydrophobicContact CD1-CD2 3.77Å; F245-L262 HydrophobicContact CD1-CG 3.87Å; F245-L262 HydrophobicContact CE1-CD1 3.58Å; F245-L262 HydrophobicContact CE1-CD2 4.1Å; F245-L262 HydrophobicContact CE1-CG 3.68Å; L253-L262 HydrophobicContact CD1-CD2 4.02Å; Q258-L262 WeakPolarHBondContact O-CB 3.45Å; Q258-L262 PolarHBondContact O-N 2.98Å; R259-L262 PolarHBondContact O-N 3.37Å; E260-L262 VanDerWaalsContact C-N 3.31Å; E260-L262 PolarHBondContact O-N 3.05Å; L262-T264 VanDerWaalsContact C-N 3.28Å; L262-T264 PolarHBondContact O-N 3.01Å; L262-I265 PolarHBondContact O-N 3.12Å; L262-K266 WeakPolarHBondContact O-CB 3.35Å; L262-K266 PolarHBondContact O-N 3.46Å |
| 263 | E | 79.4 | Confident | 75.2 | Confident | 114 Ų | 114 | 83 Ų | 83 | 53% | 0.533 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 174.6 | -74.8 | -61.6 | 157.9 | 0 | 0 | 111.6 | R259 E260 K266 S267 | R259-E263 PolarHBondContact O-N 3.37Å; E260-E263 PolarHBondContact O-N 2.91Å; E263-K266 PolarHBondContact O-N 3.35Å; E263-S267 WeakPolarHBondContact O-CB 3.38Å; E263-S267 PolarHBondContact O-N 3.04Å |
| 264 | T | 83.5 | Confident | 76.5 | Confident | 72 Ų | 72 | 88.2 Ų | 88.2 | 44% | 0.442 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 174.5 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | E260 Q261 L262 S267 N268 | E260-T264 WeakPolarHBondContact O-CB 3.21Å; E260-T264 PolarHBondContact O-N 3.41Å; E260-T264 PolarHBondContact O-OG1 3.22Å; Q261-T264 WeakPolarHBondContact O-CB 3.33Å; Q261-T264 PolarHBondContact O-N 2.91Å; L262-T264 VanDerWaalsContact C-N 3.28Å; L262-T264 PolarHBondContact O-N 3.01Å; T264-S267 PolarHBondContact O-N 3.34Å; T264-S267 PolarHBondContact O-OG 3.47Å; T264-N268 WeakPolarHBondContact O-CB 3.26Å; T264-N268 PolarHBondContact O-N 2.9Å; T264-N268 PolarHBondContact O-ND2 3.47Å |
| 265 | I | 81.1 | Confident | 77.8 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 46% | 0.462 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.3 | -69.6 | 164.5 | 0 | 0 | 0 | 110.8 | Q261 L262 S267 N268 C269 | Q261-I265 VanDerWaalsContact O-CG1 3.26Å; Q261-I265 WeakPolarHBondContact O-CG1 3.5Å; Q261-I265 PolarHBondContact O-N 2.92Å; L262-I265 PolarHBondContact O-N 3.12Å; I265-S267 PolarHBondContact O-N 3.28Å; I265-N268 PolarHBondContact O-N 2.9Å; I265-C269 WeakPolarHBondContact O-CB 3.26Å; I265-C269 PolarHBondContact O-N 2.94Å; I265-C269 PolarHBondContact O-SG 3.08Å; I265-C269 VanDerWaalsContact O-SG 3.38Å |
| 266 | K | 80.3 | Confident | 78.6 | Confident | 50 Ų | 50 | 87.3 Ų | 87.3 | 22% | 0.217 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -56.8 | -52.7 | 176.3 | -175.9 | -179.3 | 176.1 | -179.9 | 0 | 110.6 | I241 D242 F245 L262 E263 N268 C269 T270 | I241-K266 HydrophobicContact CG2-CG 4.44Å; D242-K266 WeakPolarHBondContact OD1-CE 3.39Å; D242-K266 IonicContact OD1-NZ 3.78Å; F245-K266 HydrophobicContact CD2-CB 4.3Å; F245-K266 HydrophobicContact CD2-CD 4.08Å; F245-K266 HydrophobicContact CD2-CG 4.11Å; F245-K266 HydrophobicContact CE2-CB 3.97Å; F245-K266 HydrophobicContact CE2-CG 4.11Å; L262-K266 WeakPolarHBondContact O-CB 3.35Å; L262-K266 PolarHBondContact O-N 3.46Å; E263-K266 PolarHBondContact O-N 3.35Å; K266-N268 VanDerWaalsContact C-N 3.29Å; K266-N268 PolarHBondContact O-N 3.37Å; K266-C269 PolarHBondContact O-N 3.48Å; K266-T270 PolarHBondContact O-N 3.4Å; K266-T270 PolarHBondContact O-OG1 3.49Å |
| 267 | S | 84.6 | Confident | 79 | Confident | 51 Ų | 51 | 81.8 Ų | 81.8 | 36% | 0.357 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 179.1 | 83.7 | 0 | 0 | 0 | 0 | 112 | E263 T264 I265 T270 N271 | E263-S267 WeakPolarHBondContact O-CB 3.38Å; E263-S267 PolarHBondContact O-N 3.04Å; T264-S267 PolarHBondContact O-N 3.34Å; T264-S267 PolarHBondContact O-OG 3.47Å; I265-S267 PolarHBondContact O-N 3.28Å; S267-T270 PolarHBondContact O-N 2.89Å; S267-N271 WeakPolarHBondContact O-CB 3.49Å; S267-N271 PolarHBondContact O-N 3.36Å; S267-N271 PolarHBondContact O-ND2 3.06Å; S267-N271 VanDerWaalsContact O-ND2 3.09Å |
| 268 | N | 85.4 | Confident | 79.5 | Confident | 92 Ų | 92 | 84.5 Ų | 84.5 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 179.2 | -73.3 | -21.7 | 0 | 0 | 0 | 111.7 | T264 I265 K266 N271 L272 | T264-N268 WeakPolarHBondContact O-CB 3.26Å; T264-N268 PolarHBondContact O-N 2.9Å; T264-N268 PolarHBondContact O-ND2 3.47Å; I265-N268 PolarHBondContact O-N 2.9Å; K266-N268 VanDerWaalsContact C-N 3.29Å; K266-N268 PolarHBondContact O-N 3.37Å; N268-N271 PolarHBondContact O-N 2.92Å; N268-L272 WeakPolarHBondContact O-CB 3.49Å; N268-L272 PolarHBondContact O-N 3.34Å |
| 269 | C | 77 | Confident | 80.1 | Confident | 44 Ų | 44 | 86.3 Ų | 86.3 | 30% | 0.297 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 177.2 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | I241 I265 K266 S273 | I241-C269 HydrophobicContact CD1-CB 3.68Å; I241-C269 HydrophobicContact CG2-CB 4.47Å; I265-C269 WeakPolarHBondContact O-CB 3.26Å; I265-C269 PolarHBondContact O-N 2.94Å; I265-C269 PolarHBondContact O-SG 3.08Å; I265-C269 VanDerWaalsContact O-SG 3.38Å; K266-C269 PolarHBondContact O-N 3.48Å; C269-S273 VanDerWaalsContact O-CB 3.31Å; C269-S273 WeakPolarHBondContact O-CB 3.36Å; C269-S273 PolarHBondContact O-N 2.86Å |
| 270 | T | 78.6 | Confident | 80.3 | Confident | 27 Ų | 27 | 85.6 Ų | 85.6 | 17% | 0.166 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 175.2 | -49.6 | 0 | 0 | 0 | 0 | 111.4 | L238 K266 S267 S273 R274 | L238-T270 HydrophobicContact CD2-CG2 4.12Å; K266-T270 PolarHBondContact O-N 3.4Å; K266-T270 PolarHBondContact O-OG1 3.49Å; S267-T270 PolarHBondContact O-N 2.89Å; T270-S273 PolarHBondContact O-N 3.34Å; T270-R274 PolarHBondContact O-N 2.94Å |
| 271 | N | 83.7 | Confident | 80.2 | Confident | 88 Ų | 88 | 83.8 Ų | 83.8 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 177.7 | -72.3 | -23.1 | 0 | 0 | 0 | 111.5 | S267 N268 S273 R274 E275 | S267-N271 WeakPolarHBondContact O-CB 3.49Å; S267-N271 PolarHBondContact O-N 3.36Å; S267-N271 PolarHBondContact O-ND2 3.06Å; S267-N271 VanDerWaalsContact O-ND2 3.09Å; N268-N271 PolarHBondContact O-N 2.92Å; N271-S273 PolarHBondContact O-N 3.41Å; N271-R274 PolarHBondContact O-N 3.15Å; N271-E275 WeakPolarHBondContact O-CB 3.47Å; N271-E275 PolarHBondContact O-N 3.37Å |
| 272 | L | 82.4 | Confident | 80.4 | Confident | 106 Ų | 106 | 81.3 Ų | 81.3 | 56% | 0.555 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 176.3 | -178.3 | 65 | 0 | 0 | 0 | 111.2 | N268 R274 E275 V276 | N268-L272 WeakPolarHBondContact O-CB 3.49Å; N268-L272 PolarHBondContact O-N 3.34Å; L272-R274 PolarHBondContact O-N 3.36Å; L272-E275 PolarHBondContact O-N 3.4Å; L272-V276 VanDerWaalsContact O-CG2 3.3Å; L272-V276 WeakPolarHBondContact O-CG2 3.39Å; L272-V276 PolarHBondContact O-N 3.48Å |
| 273 | S | 78.6 | Confident | 80.6 | Confident | 8 Ų | 8 | 85.9 Ų | 85.9 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | T234 L238 C269 T270 N271 V276 E277 | T234-S273 WeakPolarHBondContact CG2-OG 3.35Å; L238-S273 WeakPolarHBondContact CD2-OG 3.22Å; L238-S273 WeakPolarHBondContact CG-OG 3.33Å; C269-S273 VanDerWaalsContact O-CB 3.31Å; C269-S273 WeakPolarHBondContact O-CB 3.36Å; C269-S273 PolarHBondContact O-N 2.86Å; T270-S273 PolarHBondContact O-N 3.34Å; N271-S273 PolarHBondContact O-N 3.41Å; S273-V276 PolarHBondContact O-N 2.94Å; S273-E277 PolarHBondContact O-N 2.72Å; S273-E277 VanDerWaalsContact O-N 3.08Å |
| 274 | R | 81.3 | Confident | 80.3 | Confident | 149 Ų | 149 | 82 Ų | 82 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.7 | -38.8 | 174.5 | -87.1 | -175.7 | -175.6 | 155.7 | 2.3 | 112.6 | T270 N271 L272 V276 E277 N278 | T270-R274 PolarHBondContact O-N 2.94Å; N271-R274 PolarHBondContact O-N 3.15Å; L272-R274 PolarHBondContact O-N 3.36Å; R274-V276 VanDerWaalsContact C-N 3.33Å; R274-E277 PolarHBondContact O-N 3.47Å; R274-N278 VanDerWaalsContact O-CB 3.31Å; R274-N278 WeakPolarHBondContact O-CB 3.44Å; R274-N278 PolarHBondContact O-N 3.03Å; R274-N278 PolarHBondContact O-ND2 3.36Å |
| 275 | E | 81.1 | Confident | 80 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 178.6 | -169.1 | -178.7 | 168.3 | 0 | 0 | 111 | N271 L272 N278 K279 | N271-E275 WeakPolarHBondContact O-CB 3.47Å; N271-E275 PolarHBondContact O-N 3.37Å; L272-E275 PolarHBondContact O-N 3.4Å; E275-N278 PolarHBondContact O-N 3.07Å; E275-K279 WeakPolarHBondContact O-CG 3.49Å; E275-K279 PolarHBondContact O-N 3.49Å; E275-K279 WeakPolarHBondContact OE1-CE 3.34Å; E275-K279 IonicContact OE1-NZ 3.38Å; E275-K279 PolarHBondContact OE1-NZ 3.37Å |
| 276 | V | 80.3 | Confident | 80 | Confident | 66 Ų | 66 | 84.3 Ų | 84.3 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 172.8 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | L272 S273 R274 N278 K279 F280 | L272-V276 VanDerWaalsContact O-CG2 3.3Å; L272-V276 WeakPolarHBondContact O-CG2 3.39Å; L272-V276 PolarHBondContact O-N 3.48Å; S273-V276 PolarHBondContact O-N 2.94Å; R274-V276 VanDerWaalsContact C-N 3.33Å; V276-N278 PolarHBondContact O-N 3.26Å; V276-K279 PolarHBondContact O-N 2.92Å; V276-F280 HydrophobicContact CG1-CD2 3.68Å; V276-F280 HydrophobicContact CG1-CE2 3.89Å; V276-F280 WeakPolarHBondContact O-CB 3.3Å; V276-F280 WeakPolarHBondContact O-CD2 3.45Å; V276-F280 PolarHBondContact O-N 3.02Å |
| 277 | E | 77.6 | Confident | 79.9 | Confident | 56 Ų | 56 | 84.1 Ų | 84.1 | 26% | 0.262 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 176.9 | -115.7 | 169 | -172.3 | 0 | 0 | 112.6 | T234 S273 R274 K279 F280 Q281 | T234-E277 VanDerWaalsContact CB-OE1 3.25Å; T234-E277 WeakPolarHBondContact CB-OE1 3.41Å; T234-E277 VanDerWaalsContact CG2-CD 3.49Å; T234-E277 HydrophobicContact CG2-CG 3.9Å; T234-E277 VanDerWaalsContact CG2-OE1 3.31Å; T234-E277 WeakPolarHBondContact CG2-OE1 3.36Å; S273-E277 PolarHBondContact O-N 2.72Å; S273-E277 VanDerWaalsContact O-N 3.08Å; R274-E277 PolarHBondContact O-N 3.47Å; E277-K279 VanDerWaalsContact C-N 3.27Å; E277-K279 PolarHBondContact O-N 2.71Å; E277-F280 PolarHBondContact O-N 2.94Å; E277-Q281 PolarHBondContact O-N 3.32Å |
| 278 | N | 81.9 | Confident | 79.5 | Confident | 117 Ų | 117 | 82.5 Ų | 82.5 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.3 | -29.1 | -179.9 | -73.5 | -19.8 | 0 | 0 | 0 | 113.1 | R274 E275 V276 P282 | R274-N278 VanDerWaalsContact O-CB 3.31Å; R274-N278 WeakPolarHBondContact O-CB 3.44Å; R274-N278 PolarHBondContact O-N 3.03Å; R274-N278 PolarHBondContact O-ND2 3.36Å; E275-N278 PolarHBondContact O-N 3.07Å; V276-N278 PolarHBondContact O-N 3.26Å; N278-P282 WeakPolarHBondContact O-CD 3.47Å; N278-P282 WeakPolarHBondContact O-CG 3.37Å |
| 279 | K | 81.5 | Confident | 79.2 | Confident | 139 Ų | 139 | 84.4 Ų | 84.4 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -83.9 | -30 | 174.9 | -70.9 | -165.3 | -172.7 | -174.4 | 0 | 112.9 | E275 V276 E277 P282 | E275-K279 WeakPolarHBondContact O-CG 3.49Å; E275-K279 PolarHBondContact O-N 3.49Å; E275-K279 WeakPolarHBondContact OE1-CE 3.34Å; E275-K279 IonicContact OE1-NZ 3.38Å; E275-K279 PolarHBondContact OE1-NZ 3.37Å; V276-K279 PolarHBondContact O-N 2.92Å; E277-K279 VanDerWaalsContact C-N 3.27Å; E277-K279 PolarHBondContact O-N 2.71Å; K279-P282 WeakPolarHBondContact O-CG 3.41Å |
| 280 | F | 77.8 | Confident | 79.4 | Confident | 108 Ų | 108 | 84.7 Ų | 84.7 | 47% | 0.474 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -77 | -39.5 | 178.1 | -94.2 | -86.4 | 0 | 0 | 0 | 112.7 | V276 E277 Y283 L284 | V276-F280 HydrophobicContact CG1-CD2 3.68Å; V276-F280 HydrophobicContact CG1-CE2 3.89Å; V276-F280 WeakPolarHBondContact O-CB 3.3Å; V276-F280 WeakPolarHBondContact O-CD2 3.45Å; V276-F280 PolarHBondContact O-N 3.02Å; E277-F280 PolarHBondContact O-N 2.94Å; F280-Y283 WeakPolarHBondContact O-CB 3.45Å; F280-Y283 PolarHBondContact O-N 2.94Å; F280-L284 WeakPolarHBondContact O-CG 3.46Å; F280-L284 PolarHBondContact O-N 3.33Å |
| 281 | Q | 76.2 | Confident | 79.5 | Confident | 100 Ų | 100 | 87.2 Ų | 87.2 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -51.6 | -50.8 | -179.4 | -166.9 | 62.3 | 47.7 | 0 | 0 | 114 | E277 Y283 L284 D285 | E277-Q281 PolarHBondContact O-N 3.32Å; Q281-Y283 VanDerWaalsContact C-N 3.27Å; Q281-Y283 PolarHBondContact O-N 3.35Å; Q281-L284 PolarHBondContact O-N 3.5Å; Q281-L284 VanDerWaalsContact O-N 3.13Å; Q281-D285 PolarHBondContact NE2-OD1 3.41Å; Q281-D285 VanDerWaalsContact NE2-OD1 3.14Å; Q281-D285 VanDerWaalsContact O-CG 3.25Å; Q281-D285 PolarHBondContact O-N 2.91Å |
| 282 | P | 82 | Confident | 79.2 | Confident | 73 Ų | 73 | 85.1 Ų | 85.1 | 47% | 0.474 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.1 | -28 | 178.6 | 24.4 | -33.5 | 0 | 0 | 0 | 113.2 | N278 K279 H286 | N278-P282 WeakPolarHBondContact O-CD 3.47Å; N278-P282 WeakPolarHBondContact O-CG 3.37Å; K279-P282 WeakPolarHBondContact O-CG 3.41Å; P282-H286 VanDerWaalsContact O-CB 3.27Å; P282-H286 WeakPolarHBondContact O-CB 3.43Å; P282-H286 PolarHBondContact O-N 3.04Å |
| 283 | Y | 78.3 | Confident | 79.2 | Confident | 154 Ų | 154 | 84.3 Ų | 84.3 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 173.3 | -169.9 | -95.5 | 0 | 0 | 0 | 111 | F280 Q281 H286 V287 | F280-Y283 WeakPolarHBondContact O-CB 3.45Å; F280-Y283 PolarHBondContact O-N 2.94Å; Q281-Y283 VanDerWaalsContact C-N 3.27Å; Q281-Y283 PolarHBondContact O-N 3.35Å; Y283-H286 PolarHBondContact O-N 3.27Å; Y283-V287 HydrophobicContact CD1-CG2 4.06Å; Y283-V287 HydrophobicContact CE1-CG2 3.76Å; Y283-V287 WeakPolarHBondContact O-CB 3.37Å; Y283-V287 VanDerWaalsContact O-CG2 3.28Å; Y283-V287 WeakPolarHBondContact O-CG2 3.49Å; Y283-V287 PolarHBondContact O-N 2.88Å |
| 284 | L | 74.1 | Confident | 79.4 | Confident | 33 Ų | 33 | 88.8 Ų | 88.8 | 17% | 0.173 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 176.1 | -61.2 | -177.1 | 0 | 0 | 0 | 111.8 | L227 F280 Q281 V287 G288 | L227-L284 HydrophobicContact CB-CD1 4.48Å; L227-L284 HydrophobicContact CD1-CB 4.31Å; L227-L284 HydrophobicContact CD1-CD1 4.22Å; L227-L284 HydrophobicContact CD1-CD2 3.66Å; L227-L284 HydrophobicContact CD1-CG 4.25Å; L227-L284 HydrophobicContact CD2-CD2 3.69Å; L227-L284 HydrophobicContact CG-CD2 4.24Å; F280-L284 WeakPolarHBondContact O-CG 3.46Å; F280-L284 PolarHBondContact O-N 3.33Å; Q281-L284 PolarHBondContact O-N 3.5Å; Q281-L284 VanDerWaalsContact O-N 3.13Å; L284-V287 PolarHBondContact O-N 3.49Å; L284-G288 PolarHBondContact O-N 3.33Å |
| 285 | D | 76.1 | Confident | 79.2 | Confident | 96 Ų | 96 | 84.1 Ų | 84.1 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177 | -64.7 | -21.2 | 0 | 0 | 0 | 110.6 | Q281 G288 E289 | Q281-D285 PolarHBondContact NE2-OD1 3.41Å; Q281-D285 VanDerWaalsContact NE2-OD1 3.14Å; Q281-D285 VanDerWaalsContact O-CG 3.25Å; Q281-D285 PolarHBondContact O-N 2.91Å; D285-G288 PolarHBondContact O-N 3.33Å; D285-E289 WeakPolarHBondContact O-CB 3.36Å; D285-E289 PolarHBondContact O-N 2.88Å |
| 286 | H | 80.7 | Confident | 79 | Confident | 113 Ų | 113 | 86 Ų | 86 | 52% | 0.523 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 178 | -178 | 59.5 | 0 | 0 | 0 | 112.8 | P282 Y283 G288 E289 T290 | P282-H286 VanDerWaalsContact O-CB 3.27Å; P282-H286 WeakPolarHBondContact O-CB 3.43Å; P282-H286 PolarHBondContact O-N 3.04Å; Y283-H286 PolarHBondContact O-N 3.27Å; H286-G288 VanDerWaalsContact C-N 3.35Å; H286-E289 PolarHBondContact O-N 2.99Å; H286-T290 WeakPolarHBondContact O-CB 3.28Å; H286-T290 PolarHBondContact O-N 3.35Å; H286-T290 PolarHBondContact O-OG1 2.88Å |
| 287 | V | 79.6 | Confident | 79.2 | Confident | 46 Ų | 46 | 89.5 Ų | 89.5 | 28% | 0.279 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 176.9 | 174 | 0 | 0 | 0 | 0 | 110.6 | F223 Y283 L284 T290 M291 | F223-V287 HydrophobicContact CE2-CG1 4.24Å; F223-V287 HydrophobicContact CZ-CB 4.27Å; F223-V287 HydrophobicContact CZ-CG1 3.63Å; Y283-V287 HydrophobicContact CD1-CG2 4.06Å; Y283-V287 HydrophobicContact CE1-CG2 3.76Å; Y283-V287 WeakPolarHBondContact O-CB 3.37Å; Y283-V287 VanDerWaalsContact O-CG2 3.28Å; Y283-V287 WeakPolarHBondContact O-CG2 3.49Å; Y283-V287 PolarHBondContact O-N 2.88Å; L284-V287 PolarHBondContact O-N 3.49Å; V287-T290 PolarHBondContact O-N 3.12Å; V287-M291 VanDerWaalsContact O-CB 3.26Å; V287-M291 WeakPolarHBondContact O-CB 3.25Å; V287-M291 PolarHBondContact O-N 3.46Å |
| 288 | G | 75.7 | Confident | 79.3 | Confident | 17 Ų | 17 | 89.7 Ų | 89.7 | 18% | 0.175 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L284 D285 H286 M291 T292 | L284-G288 PolarHBondContact O-N 3.33Å; D285-G288 PolarHBondContact O-N 3.33Å; H286-G288 VanDerWaalsContact C-N 3.35Å; G288-M291 PolarHBondContact O-N 2.88Å; G288-T292 WeakPolarHBondContact O-CG2 3.06Å; G288-T292 PolarHBondContact O-N 3.2Å; G288-T292 PolarHBondContact O-OG1 3.32Å |
| 289 | E | 78.9 | Confident | 79 | Confident | 133 Ų | 133 | 85.9 Ų | 85.9 | 62% | 0.621 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.5 | -49.1 | 175.8 | -172.1 | 168.4 | -150.7 | 0 | 0 | 111.4 | D285 H286 M291 T292 E293 | D285-E289 WeakPolarHBondContact O-CB 3.36Å; D285-E289 PolarHBondContact O-N 2.88Å; H286-E289 PolarHBondContact O-N 2.99Å; E289-M291 VanDerWaalsContact C-N 3.33Å; E289-M291 PolarHBondContact O-N 3.42Å; E289-T292 PolarHBondContact O-N 2.9Å; E289-T292 VanDerWaalsContact O-N 3.13Å; E289-T292 PolarHBondContact O-OG1 3.24Å; E289-E293 PolarHBondContact O-N 2.88Å |
| 290 | T | 82.2 | Confident | 79 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 30% | 0.301 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 177.7 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | H286 V287 T292 E293 I294 | H286-T290 WeakPolarHBondContact O-CB 3.28Å; H286-T290 PolarHBondContact O-N 3.35Å; H286-T290 PolarHBondContact O-OG1 2.88Å; V287-T290 PolarHBondContact O-N 3.12Å; T290-T292 PolarHBondContact O-N 3.29Å; T290-E293 PolarHBondContact O-N 3.45Å; T290-I294 HydrophobicContact CG2-CD1 3.91Å; T290-I294 HydrophobicContact CG2-CG1 4.42Å; T290-I294 VanDerWaalsContact O-CG1 3.3Å; T290-I294 WeakPolarHBondContact O-CG1 3.44Å; T290-I294 PolarHBondContact O-N 2.93Å |
| 291 | M | 79.2 | Confident | 79.3 | Confident | 80 Ų | 80 | 83 Ų | 83 | 39% | 0.394 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.4 | -174.4 | 62.7 | -176.6 | 0 | 0 | 111.3 | V287 G288 E289 E293 I294 Q295 | V287-M291 VanDerWaalsContact O-CB 3.26Å; V287-M291 WeakPolarHBondContact O-CB 3.25Å; V287-M291 PolarHBondContact O-N 3.46Å; G288-M291 PolarHBondContact O-N 2.88Å; E289-M291 VanDerWaalsContact C-N 3.33Å; E289-M291 PolarHBondContact O-N 3.42Å; M291-E293 VanDerWaalsContact C-N 3.33Å; M291-E293 PolarHBondContact O-N 3.4Å; M291-I294 PolarHBondContact O-N 3.44Å; M291-Q295 WeakPolarHBondContact O-CB 3.41Å; M291-Q295 PolarHBondContact O-N 3.49Å |
| 292 | T | 77.2 | Confident | 79.5 | Confident | 45 Ų | 45 | 84.7 Ų | 84.7 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.4 | -34.4 | 175.5 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | G288 E289 T290 W296 | G288-T292 WeakPolarHBondContact O-CG2 3.06Å; G288-T292 PolarHBondContact O-N 3.2Å; G288-T292 PolarHBondContact O-OG1 3.32Å; E289-T292 PolarHBondContact O-N 2.9Å; E289-T292 VanDerWaalsContact O-N 3.13Å; E289-T292 PolarHBondContact O-OG1 3.24Å; T290-T292 PolarHBondContact O-N 3.29Å; T292-W296 WeakPolarHBondContact O-CB 3.39Å; T292-W296 PolarHBondContact O-N 2.96Å |
| 293 | E | 82.8 | Confident | 79.4 | Confident | 89 Ų | 89 | 86.1 Ų | 86.1 | 42% | 0.416 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.4 | -47.5 | 174.5 | -168.5 | -172.2 | 167.5 | 0 | 0 | 111.2 | E289 T290 M291 Q295 W296 R297 | E289-E293 PolarHBondContact O-N 2.88Å; T290-E293 PolarHBondContact O-N 3.45Å; M291-E293 VanDerWaalsContact C-N 3.33Å; M291-E293 PolarHBondContact O-N 3.4Å; E293-Q295 VanDerWaalsContact C-N 3.32Å; E293-Q295 PolarHBondContact O-N 3.29Å; E293-W296 PolarHBondContact O-N 3Å; E293-R297 PolarHBondContact O-N 2.94Å; E293-R297 IonicContact OE1-CZ 2.68Å; E293-R297 VanDerWaalsContact OE1-CZ 3.29Å; E293-R297 IonicContact OE1-NE 3.76Å; E293-R297 PolarHBondContact OE1-NE 3.36Å; E293-R297 IonicContact OE1-NH2 3.48Å; E293-R297 PolarHBondContact OE1-NH2 2.98Å |
| 294 | I | 82.2 | Confident | 79.5 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 52% | 0.518 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 177.4 | -70.9 | 170.1 | 0 | 0 | 0 | 110.1 | T290 M291 W296 R297 S298 | T290-I294 HydrophobicContact CG2-CD1 3.91Å; T290-I294 HydrophobicContact CG2-CG1 4.42Å; T290-I294 VanDerWaalsContact O-CG1 3.3Å; T290-I294 WeakPolarHBondContact O-CG1 3.44Å; T290-I294 PolarHBondContact O-N 2.93Å; M291-I294 PolarHBondContact O-N 3.44Å; I294-W296 PolarHBondContact O-N 2.89Å; I294-R297 PolarHBondContact O-N 2.91Å; I294-S298 VanDerWaalsContact O-CB 3.27Å; I294-S298 WeakPolarHBondContact O-CB 3.48Å; I294-S298 PolarHBondContact O-N 2.85Å |
| 295 | Q | 78 | Confident | 80.1 | Confident | 51 Ų | 51 | 86.7 Ų | 86.7 | 24% | 0.238 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 178.5 | -175.6 | 62.4 | 34.4 | 0 | 0 | 111.4 | Y215 M291 E293 S298 S299 | Y215-Q295 HydrophobicContact CE1-CG 4.38Å; M291-Q295 WeakPolarHBondContact O-CB 3.41Å; M291-Q295 PolarHBondContact O-N 3.49Å; E293-Q295 VanDerWaalsContact C-N 3.32Å; E293-Q295 PolarHBondContact O-N 3.29Å; Q295-S298 PolarHBondContact O-N 3.3Å; Q295-S299 PolarHBondContact O-N 3.11Å; Q295-S299 PolarHBondContact O-OG 3.49Å |
| 296 | W | 77.8 | Confident | 80.4 | Confident | 139 Ų | 139 | 86.1 Ų | 86.1 | 53% | 0.527 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 177.7 | 176.7 | 82 | 0 | 0 | 0 | 111.8 | T292 E293 I294 S298 S299 Q300 | T292-W296 WeakPolarHBondContact O-CB 3.39Å; T292-W296 PolarHBondContact O-N 2.96Å; E293-W296 PolarHBondContact O-N 3Å; I294-W296 PolarHBondContact O-N 2.89Å; W296-S298 PolarHBondContact O-N 3.42Å; W296-S299 PolarHBondContact O-N 2.88Å; W296-Q300 WeakPolarHBondContact O-CB 3.46Å; W296-Q300 PolarHBondContact O-N 3.08Å |
| 297 | R | 82.8 | Confident | 80.5 | Confident | 140 Ų | 140 | 84.2 Ų | 84.2 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 176.2 | -74.3 | -171 | -172.9 | -149.2 | 5.1 | 112 | E293 I294 Q300 L301 | E293-R297 PolarHBondContact O-N 2.94Å; E293-R297 IonicContact OE1-CZ 2.68Å; E293-R297 VanDerWaalsContact OE1-CZ 3.29Å; E293-R297 IonicContact OE1-NE 3.76Å; E293-R297 PolarHBondContact OE1-NE 3.36Å; E293-R297 IonicContact OE1-NH2 3.48Å; E293-R297 PolarHBondContact OE1-NH2 2.98Å; I294-R297 PolarHBondContact O-N 2.91Å; R297-Q300 PolarHBondContact O-N 3.46Å; R297-L301 WeakPolarHBondContact O-CB 3.49Å; R297-L301 VanDerWaalsContact O-CG 3.31Å; R297-L301 WeakPolarHBondContact O-CG 3.4Å; R297-L301 PolarHBondContact O-N 3.24Å |
| 298 | S | 80.9 | Confident | 81 | Confident | 61 Ų | 61 | 87.2 Ų | 87.2 | 43% | 0.427 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 178.4 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | I294 Q295 W296 Q300 L301 E302 | I294-S298 VanDerWaalsContact O-CB 3.27Å; I294-S298 WeakPolarHBondContact O-CB 3.48Å; I294-S298 PolarHBondContact O-N 2.85Å; Q295-S298 PolarHBondContact O-N 3.3Å; W296-S298 PolarHBondContact O-N 3.42Å; S298-Q300 PolarHBondContact O-N 3.43Å; S298-L301 PolarHBondContact O-N 2.9Å; S298-E302 WeakPolarHBondContact O-CB 3.36Å; S298-E302 PolarHBondContact O-N 2.9Å |
| 299 | S | 75.8 | Confident | 81.6 | Confident | 36 Ų | 36 | 89.8 Ų | 89.8 | 25% | 0.252 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 176.7 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | Q295 W296 E302 V303 | Q295-S299 PolarHBondContact O-N 3.11Å; Q295-S299 PolarHBondContact O-OG 3.49Å; W296-S299 PolarHBondContact O-N 2.88Å; S299-E302 PolarHBondContact O-N 3.3Å; S299-V303 WeakPolarHBondContact O-CG2 3.47Å; S299-V303 PolarHBondContact O-N 2.96Å; S299-V303 VanDerWaalsContact O-N 3.15Å |
| 300 | Q | 81 | Confident | 82.1 | Confident | 82 Ų | 82 | 87.2 Ų | 87.2 | 38% | 0.383 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 175.4 | -171.9 | -177.1 | 22.4 | 0 | 0 | 111.8 | W296 R297 S298 V303 Q304 | W296-Q300 WeakPolarHBondContact O-CB 3.46Å; W296-Q300 PolarHBondContact O-N 3.08Å; R297-Q300 PolarHBondContact O-N 3.46Å; S298-Q300 PolarHBondContact O-N 3.43Å; Q300-V303 PolarHBondContact O-N 3.39Å; Q300-Q304 WeakPolarHBondContact O-CG 3.36Å; Q300-Q304 PolarHBondContact O-N 3.47Å |
| 301 | L | 84.8 | Confident | 82.4 | Confident | 104 Ų | 104 | 90.2 Ų | 90.2 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 178.4 | -75.3 | 170.7 | 0 | 0 | 0 | 111.9 | R297 S298 Q304 N305 | R297-L301 WeakPolarHBondContact O-CB 3.49Å; R297-L301 VanDerWaalsContact O-CG 3.31Å; R297-L301 WeakPolarHBondContact O-CG 3.4Å; R297-L301 PolarHBondContact O-N 3.24Å; S298-L301 PolarHBondContact O-N 2.9Å; L301-Q304 PolarHBondContact O-N 2.83Å; L301-N305 VanDerWaalsContact O-CB 3.22Å; L301-N305 WeakPolarHBondContact O-CB 3.35Å; L301-N305 PolarHBondContact O-N 3.39Å |
| 302 | E | 79.1 | Confident | 83.1 | Confident | 137 Ų | 137 | 91.3 Ų | 91.3 | 64% | 0.64 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 177.9 | -168 | 169.8 | -164.1 | 0 | 0 | 111.7 | S298 S299 N305 S306 | S298-E302 WeakPolarHBondContact O-CB 3.36Å; S298-E302 PolarHBondContact O-N 2.9Å; S299-E302 PolarHBondContact O-N 3.3Å; E302-N305 PolarHBondContact O-N 3.25Å; E302-S306 WeakPolarHBondContact O-CB 3.27Å; E302-S306 PolarHBondContact O-N 3.4Å |
| 303 | V | 80.8 | Confident | 83.8 | Confident | 102 Ų | 102 | 94 Ų | 94 | 62% | 0.618 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -46.8 | 174 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | S299 Q300 N305 S306 D307 | S299-V303 WeakPolarHBondContact O-CG2 3.47Å; S299-V303 PolarHBondContact O-N 2.96Å; S299-V303 VanDerWaalsContact O-N 3.15Å; Q300-V303 PolarHBondContact O-N 3.39Å; V303-N305 VanDerWaalsContact C-N 3.32Å; V303-N305 PolarHBondContact O-N 3.43Å; V303-S306 PolarHBondContact O-N 3.18Å; V303-D307 PolarHBondContact O-N 3.39Å |
| 304 | Q | 80.4 | Confident | 84.2 | Confident | 95 Ų | 95 | 95 Ų | 95 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 177.6 | -75 | -179.6 | -16.1 | 0 | 0 | 112 | Q300 L301 D307 L308 | Q300-Q304 WeakPolarHBondContact O-CG 3.36Å; Q300-Q304 PolarHBondContact O-N 3.47Å; L301-Q304 PolarHBondContact O-N 2.83Å; Q304-D307 PolarHBondContact O-N 2.96Å; Q304-L308 WeakPolarHBondContact O-CB 3.3Å; Q304-L308 VanDerWaalsContact O-CG 3.3Å; Q304-L308 WeakPolarHBondContact O-CG 3.4Å; Q304-L308 PolarHBondContact O-N 2.96Å |
| 305 | N | 86.8 | Confident | 84.8 | Confident | 105 Ų | 105 | 93.9 Ų | 93.9 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 178.5 | -164.7 | 4.3 | 0 | 0 | 0 | 111.1 | L301 E302 V303 L308 T309 | L301-N305 VanDerWaalsContact O-CB 3.22Å; L301-N305 WeakPolarHBondContact O-CB 3.35Å; L301-N305 PolarHBondContact O-N 3.39Å; E302-N305 PolarHBondContact O-N 3.25Å; V303-N305 VanDerWaalsContact C-N 3.32Å; V303-N305 PolarHBondContact O-N 3.43Å; N305-L308 PolarHBondContact O-N 3.34Å; N305-T309 VanDerWaalsContact O-CB 3.24Å; N305-T309 WeakPolarHBondContact O-CB 3.36Å; N305-T309 PolarHBondContact O-N 2.88Å; N305-T309 PolarHBondContact O-OG1 2.9Å |
| 306 | S | 82.3 | Confident | 85.6 | Confident | 83 Ų | 83 | 95.5 Ų | 95.5 | 58% | 0.58 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 174.3 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | E302 V303 T309 S310 | E302-S306 WeakPolarHBondContact O-CB 3.27Å; E302-S306 PolarHBondContact O-N 3.4Å; V303-S306 PolarHBondContact O-N 3.18Å; S306-T309 PolarHBondContact O-N 2.93Å; S306-S310 WeakPolarHBondContact O-CB 3.28Å; S306-S310 PolarHBondContact O-N 2.97Å |
| 307 | D | 82.7 | Confident | 86.5 | Confident | 74 Ų | 74 | 92.7 Ų | 92.7 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 177.2 | 174.2 | 65.7 | 0 | 0 | 0 | 112.1 | V303 Q304 T309 S310 K311 | V303-D307 PolarHBondContact O-N 3.39Å; Q304-D307 PolarHBondContact O-N 2.96Å; D307-T309 VanDerWaalsContact C-N 3.35Å; D307-T309 PolarHBondContact O-N 3.33Å; D307-S310 PolarHBondContact O-N 3.41Å; D307-K311 WeakPolarHBondContact O-CG 3.47Å; D307-K311 PolarHBondContact O-N 3.31Å; D307-K311 VanDerWaalsContact OD1-CE 3.25Å; D307-K311 WeakPolarHBondContact OD1-CE 3.45Å; D307-K311 IonicContact OD1-NZ 2.68Å; D307-K311 PolarHBondContact OD1-NZ 2.92Å; D307-K311 WeakPolarHBondContact OD2-CE 3.33Å; D307-K311 IonicContact OD2-NZ 3.29Å; D307-K311 PolarHBondContact OD2-NZ 3.41Å |
| 308 | L | 88.9 | Confident | 87.1 | Confident | 109 Ų | 109 | 92.1 Ų | 92.1 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 177 | -73.8 | 173 | 0 | 0 | 0 | 111.9 | Q304 N305 K311 L312 | Q304-L308 WeakPolarHBondContact O-CB 3.3Å; Q304-L308 VanDerWaalsContact O-CG 3.3Å; Q304-L308 WeakPolarHBondContact O-CG 3.4Å; Q304-L308 PolarHBondContact O-N 2.96Å; N305-L308 PolarHBondContact O-N 3.34Å; L308-K311 PolarHBondContact O-N 3.41Å; L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 PolarHBondContact O-N 3.39Å |
| 309 | T | 88.8 | Confident | 87.8 | Confident | 70 Ų | 70 | 95.2 Ų | 95.2 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | N305 S306 D307 L312 Q313 | N305-T309 VanDerWaalsContact O-CB 3.24Å; N305-T309 WeakPolarHBondContact O-CB 3.36Å; N305-T309 PolarHBondContact O-N 2.88Å; N305-T309 PolarHBondContact O-OG1 2.9Å; S306-T309 PolarHBondContact O-N 2.93Å; D307-T309 VanDerWaalsContact C-N 3.35Å; D307-T309 PolarHBondContact O-N 3.33Å; T309-L312 PolarHBondContact O-N 2.92Å; T309-Q313 WeakPolarHBondContact O-CB 3.47Å; T309-Q313 PolarHBondContact O-N 2.95Å |
| 310 | S | 88.8 | Confident | 88.8 | Confident | 79 Ų | 79 | 99.1 Ų | 99.1 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -44 | 176.5 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | S306 D307 L312 Q313 Q314 | S306-S310 WeakPolarHBondContact O-CB 3.28Å; S306-S310 PolarHBondContact O-N 2.97Å; D307-S310 PolarHBondContact O-N 3.41Å; S310-L312 PolarHBondContact O-N 2.9Å; S310-Q313 WeakPolarHBondContact O-CB 3.22Å; S310-Q313 PolarHBondContact O-N 3.47Å; S310-Q314 WeakPolarHBondContact O-CB 3.48Å; S310-Q314 PolarHBondContact O-N 3.49Å |
| 311 | K | 89.1 | Confident | 89.5 | Confident | 112 Ų | 112 | 98.1 Ų | 98.1 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.2 | -75.7 | 171.4 | 178.6 | 164.2 | 0 | 112.3 | D307 L308 Q314 C315 | D307-K311 WeakPolarHBondContact O-CG 3.47Å; D307-K311 PolarHBondContact O-N 3.31Å; D307-K311 VanDerWaalsContact OD1-CE 3.25Å; D307-K311 WeakPolarHBondContact OD1-CE 3.45Å; D307-K311 IonicContact OD1-NZ 2.68Å; D307-K311 PolarHBondContact OD1-NZ 2.92Å; D307-K311 WeakPolarHBondContact OD2-CE 3.33Å; D307-K311 IonicContact OD2-NZ 3.29Å; D307-K311 PolarHBondContact OD2-NZ 3.41Å; L308-K311 PolarHBondContact O-N 3.41Å; K311-Q314 PolarHBondContact O-N 3.49Å; K311-C315 WeakPolarHBondContact O-CB 3.44Å; K311-C315 PolarHBondContact O-N 3.36Å |
| 312 | L | 93.8 | Very high | 90.1 | Very high | 104 Ų | 104 | 96 Ų | 96 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 175.6 | -179.6 | 63.5 | 0 | 0 | 0 | 110.5 | L308 T309 S310 Q314 C315 E316 | L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 PolarHBondContact O-N 3.39Å; T309-L312 PolarHBondContact O-N 2.92Å; S310-L312 PolarHBondContact O-N 2.9Å; L312-Q314 VanDerWaalsContact C-N 3.31Å; L312-Q314 PolarHBondContact O-N 3.41Å; L312-C315 WeakPolarHBondContact O-CB 3.46Å; L312-C315 PolarHBondContact O-N 2.9Å; L312-E316 WeakPolarHBondContact O-CG 3.49Å; L312-E316 PolarHBondContact O-N 3.35Å |
| 313 | Q | 92.4 | Very high | 90.9 | Very high | 102 Ų | 102 | 93.1 Ų | 93.1 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -54.7 | -47.8 | 175.9 | -165.6 | 91.2 | 29.2 | 0 | 0 | 111.2 | T309 S310 C315 E316 D317 | T309-Q313 WeakPolarHBondContact O-CB 3.47Å; T309-Q313 PolarHBondContact O-N 2.95Å; S310-Q313 WeakPolarHBondContact O-CB 3.22Å; S310-Q313 PolarHBondContact O-N 3.47Å; Q313-C315 VanDerWaalsContact C-N 3.3Å; Q313-C315 PolarHBondContact O-N 3.16Å; Q313-E316 PolarHBondContact O-N 3.29Å; Q313-D317 VanDerWaalsContact O-CG 3.29Å; Q313-D317 PolarHBondContact O-N 3.35Å |
| 314 | Q | 91.8 | Very high | 91.7 | Very high | 108 Ų | 108 | 90.9 Ų | 90.9 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 178.4 | -166.3 | -171.5 | 42 | 0 | 0 | 112.2 | S310 K311 L312 K318 | S310-Q314 WeakPolarHBondContact O-CB 3.48Å; S310-Q314 PolarHBondContact O-N 3.49Å; K311-Q314 PolarHBondContact O-N 3.49Å; L312-Q314 VanDerWaalsContact C-N 3.31Å; L312-Q314 PolarHBondContact O-N 3.41Å; Q314-K318 HydrophobicContact CG-CD 4.43Å; Q314-K318 WeakPolarHBondContact O-CB 3.39Å; Q314-K318 VanDerWaalsContact O-CG 3.28Å; Q314-K318 WeakPolarHBondContact O-CG 3.33Å; Q314-K318 PolarHBondContact O-N 3.18Å |
| 315 | C | 93.6 | Very high | 92.5 | Very high | 79 Ų | 79 | 92.9 Ų | 92.9 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 176.1 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | K311 L312 Q313 K318 H319 | K311-C315 WeakPolarHBondContact O-CB 3.44Å; K311-C315 PolarHBondContact O-N 3.36Å; L312-C315 WeakPolarHBondContact O-CB 3.46Å; L312-C315 PolarHBondContact O-N 2.9Å; Q313-C315 VanDerWaalsContact C-N 3.3Å; Q313-C315 PolarHBondContact O-N 3.16Å; C315-K318 PolarHBondContact O-N 2.63Å; C315-H319 WeakPolarHBondContact O-CB 3.24Å; C315-H319 PolarHBondContact O-N 2.94Å |
| 316 | E | 96.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 90.7 Ų | 90.7 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 176.3 | -72.6 | -174.7 | 178.7 | 0 | 0 | 111.9 | L312 Q313 H319 K320 | L312-E316 WeakPolarHBondContact O-CG 3.49Å; L312-E316 PolarHBondContact O-N 3.35Å; Q313-E316 PolarHBondContact O-N 3.29Å; E316-H319 PolarHBondContact O-N 3.43Å; E316-K320 WeakPolarHBondContact O-CB 3.49Å; E316-K320 VanDerWaalsContact O-CG 3.3Å; E316-K320 WeakPolarHBondContact O-CG 3.33Å; E316-K320 PolarHBondContact O-N 3.03Å |
| 317 | D | 95.1 | Very high | 93.6 | Very high | 80 Ų | 80 | 89.7 Ų | 89.7 | 43% | 0.428 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 179.3 | -69.4 | -21.3 | 0 | 0 | 0 | 111.4 | Q313 H319 K320 A321 | Q313-D317 VanDerWaalsContact O-CG 3.29Å; Q313-D317 PolarHBondContact O-N 3.35Å; D317-H319 VanDerWaalsContact C-N 3.33Å; D317-H319 PolarHBondContact O-N 2.93Å; D317-K320 PolarHBondContact O-N 2.96Å; D317-A321 WeakPolarHBondContact O-CB 3.38Å; D317-A321 PolarHBondContact O-N 3.05Å |
| 318 | K | 96.1 | Very high | 94.3 | Very high | 129 Ų | 129 | 92.2 Ų | 92.2 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 172.5 | -78.7 | 174 | 179.2 | 171.6 | 0 | 111.7 | Q314 C315 A321 A322 | Q314-K318 HydrophobicContact CG-CD 4.43Å; Q314-K318 WeakPolarHBondContact O-CB 3.39Å; Q314-K318 VanDerWaalsContact O-CG 3.28Å; Q314-K318 WeakPolarHBondContact O-CG 3.33Å; Q314-K318 PolarHBondContact O-N 3.18Å; C315-K318 PolarHBondContact O-N 2.63Å; K318-A321 PolarHBondContact O-N 3.04Å; K318-A322 WeakPolarHBondContact O-CB 3.46Å; K318-A322 PolarHBondContact O-N 3.32Å |
| 319 | H | 95.9 | Very high | 94.6 | Very high | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.8 | -47.9 | 177.4 | 177.8 | -89.5 | 0 | 0 | 0 | 111.3 | C315 E316 D317 A321 A322 V323 | C315-H319 WeakPolarHBondContact O-CB 3.24Å; C315-H319 PolarHBondContact O-N 2.94Å; E316-H319 PolarHBondContact O-N 3.43Å; D317-H319 VanDerWaalsContact C-N 3.33Å; D317-H319 PolarHBondContact O-N 2.93Å; H319-A321 VanDerWaalsContact C-N 3.31Å; H319-A321 PolarHBondContact O-N 3.41Å; H319-A322 PolarHBondContact O-N 2.98Å; H319-V323 WeakPolarHBondContact O-CG2 3.23Å; H319-V323 PolarHBondContact O-N 2.91Å |
| 320 | K | 96.6 | Very high | 95 | Very high | 119 Ų | 119 | 92 Ų | 92 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57 | -45 | 175.6 | -73.2 | 169.8 | -171.7 | 162 | 0 | 111.4 | E316 D317 V323 A324 | E316-K320 WeakPolarHBondContact O-CB 3.49Å; E316-K320 VanDerWaalsContact O-CG 3.3Å; E316-K320 WeakPolarHBondContact O-CG 3.33Å; E316-K320 PolarHBondContact O-N 3.03Å; D317-K320 PolarHBondContact O-N 2.96Å; K320-V323 PolarHBondContact O-N 2.98Å; K320-A324 WeakPolarHBondContact O-CB 3.46Å; K320-A324 PolarHBondContact O-N 3.29Å |
| 321 | A | 96.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 89.3 Ų | 89.3 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D317 K318 H319 A324 K325 | D317-A321 WeakPolarHBondContact O-CB 3.38Å; D317-A321 PolarHBondContact O-N 3.05Å; K318-A321 PolarHBondContact O-N 3.04Å; H319-A321 VanDerWaalsContact C-N 3.31Å; H319-A321 PolarHBondContact O-N 3.41Å; A321-A324 PolarHBondContact O-N 2.96Å; A321-K325 WeakPolarHBondContact O-CB 3.42Å; A321-K325 PolarHBondContact O-N 3.44Å |
| 322 | A | 96.3 | Very high | 95.7 | Very high | 59 Ų | 59 | 89.9 Ų | 89.9 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K318 H319 K325 A326 | K318-A322 WeakPolarHBondContact O-CB 3.46Å; K318-A322 PolarHBondContact O-N 3.32Å; H319-A322 PolarHBondContact O-N 2.98Å; A322-K325 PolarHBondContact O-N 3.46Å; A322-A326 WeakPolarHBondContact O-CB 3.43Å; A322-A326 PolarHBondContact O-N 3.08Å |
| 323 | V | 97.1 | Very high | 95.7 | Very high | 78 Ų | 78 | 92.1 Ų | 92.1 | 47% | 0.473 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 111 | H319 K320 K325 A326 A327 | H319-V323 WeakPolarHBondContact O-CG2 3.23Å; H319-V323 PolarHBondContact O-N 2.91Å; K320-V323 PolarHBondContact O-N 2.98Å; V323-K325 VanDerWaalsContact C-N 3.33Å; V323-K325 PolarHBondContact O-N 2.9Å; V323-A326 PolarHBondContact O-N 3.45Å; V323-A327 WeakPolarHBondContact O-CB 3.33Å; V323-A327 PolarHBondContact O-N 2.92Å |
| 324 | A | 96.9 | Very high | 95.8 | Very high | 55 Ų | 55 | 92.5 Ų | 92.5 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K320 A321 A327 M328 | K320-A324 WeakPolarHBondContact O-CB 3.46Å; K320-A324 PolarHBondContact O-N 3.29Å; A321-A324 PolarHBondContact O-N 2.96Å; A324-A327 PolarHBondContact O-N 3.3Å; A324-M328 WeakPolarHBondContact O-CG 3.35Å; A324-M328 PolarHBondContact O-N 2.9Å |
| 325 | K | 96.9 | Very high | 96 | Very high | 136 Ų | 136 | 94 Ų | 94 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 175.9 | -173.7 | 178.4 | 178.7 | -178.7 | 0 | 112 | A321 A322 V323 A327 M328 D329 | A321-K325 WeakPolarHBondContact O-CB 3.42Å; A321-K325 PolarHBondContact O-N 3.44Å; A322-K325 PolarHBondContact O-N 3.46Å; V323-K325 VanDerWaalsContact C-N 3.33Å; V323-K325 PolarHBondContact O-N 2.9Å; K325-A327 VanDerWaalsContact C-N 3.27Å; K325-A327 PolarHBondContact O-N 3.08Å; K325-M328 WeakPolarHBondContact O-CB 3.39Å; K325-M328 PolarHBondContact O-N 3.33Å; K325-M328 VanDerWaalsContact O-N 3.16Å; K325-D329 PolarHBondContact O-N 3.32Å |
| 326 | A | 96.2 | Very high | 96.1 | Very high | 59 Ų | 59 | 96 Ų | 96 | 49% | 0.488 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -37.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | A322 V323 L330 | A322-A326 WeakPolarHBondContact O-CB 3.43Å; A322-A326 PolarHBondContact O-N 3.08Å; V323-A326 PolarHBondContact O-N 3.45Å; A326-L330 WeakPolarHBondContact O-CB 3.41Å; A326-L330 PolarHBondContact O-N 3.48Å |
| 327 | A | 96.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 96.9 Ų | 96.9 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V323 A324 K325 L330 G331 | V323-A327 WeakPolarHBondContact O-CB 3.33Å; V323-A327 PolarHBondContact O-N 2.92Å; A324-A327 PolarHBondContact O-N 3.3Å; K325-A327 VanDerWaalsContact C-N 3.27Å; K325-A327 PolarHBondContact O-N 3.08Å; A327-L330 PolarHBondContact O-N 3.05Å; A327-G331 PolarHBondContact O-N 3.49Å |
| 328 | M | 96.6 | Very high | 96.1 | Very high | 127 Ų | 127 | 97.5 Ų | 97.5 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -50.2 | 173.6 | -72.2 | -174.7 | 74.7 | 0 | 0 | 111.6 | A324 K325 L330 G331 E332 | A324-M328 WeakPolarHBondContact O-CG 3.35Å; A324-M328 PolarHBondContact O-N 2.9Å; K325-M328 WeakPolarHBondContact O-CB 3.39Å; K325-M328 PolarHBondContact O-N 3.33Å; K325-M328 VanDerWaalsContact O-N 3.16Å; M328-L330 VanDerWaalsContact C-N 3.27Å; M328-L330 PolarHBondContact O-N 2.93Å; M328-G331 PolarHBondContact O-N 2.96Å; M328-G331 VanDerWaalsContact O-N 3.08Å; M328-E332 PolarHBondContact O-N 3.43Å |
| 329 | D | 96.1 | Very high | 96.1 | Very high | 71 Ų | 71 | 97.2 Ų | 97.2 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 179.7 | -67.9 | -8.8 | 0 | 0 | 0 | 111.4 | K325 K333 | K325-D329 PolarHBondContact O-N 3.32Å; D329-K333 WeakPolarHBondContact O-CG 3.45Å; D329-K333 PolarHBondContact O-N 3.5Å |
| 330 | L | 96.4 | Very high | 96.1 | Very high | 103 Ų | 103 | 95.9 Ų | 95.9 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 174.9 | -171.9 | 76.4 | 0 | 0 | 0 | 111.3 | A326 A327 M328 E332 K333 Q334 | A326-L330 WeakPolarHBondContact O-CB 3.41Å; A326-L330 PolarHBondContact O-N 3.48Å; A327-L330 PolarHBondContact O-N 3.05Å; M328-L330 VanDerWaalsContact C-N 3.27Å; M328-L330 PolarHBondContact O-N 2.93Å; L330-E332 PolarHBondContact O-N 3.01Å; L330-K333 PolarHBondContact O-N 2.99Å; L330-Q334 WeakPolarHBondContact O-CG 3.43Å; L330-Q334 PolarHBondContact O-N 3.43Å |
| 331 | G | 96 | Very high | 96 | Very high | 24 Ų | 24 | 93.9 Ų | 93.9 | 25% | 0.247 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A327 M328 Q334 K335 | A327-G331 PolarHBondContact O-N 3.49Å; M328-G331 PolarHBondContact O-N 2.96Å; M328-G331 VanDerWaalsContact O-N 3.08Å; G331-Q334 PolarHBondContact O-N 3.14Å; G331-K335 WeakPolarHBondContact O-CG 3.25Å; G331-K335 PolarHBondContact O-N 3.01Å |
| 332 | E | 96.2 | Very high | 95.9 | Very high | 124 Ų | 124 | 94.6 Ų | 94.6 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -44.4 | 173.9 | -73.2 | -174.7 | 174.2 | 0 | 0 | 112 | M328 L330 Q334 K335 F336 | M328-E332 PolarHBondContact O-N 3.43Å; L330-E332 PolarHBondContact O-N 3.01Å; E332-Q334 VanDerWaalsContact C-N 3.33Å; E332-Q334 PolarHBondContact O-N 3.14Å; E332-K335 PolarHBondContact O-N 3.37Å; E332-F336 WeakPolarHBondContact O-CB 3.42Å; E332-F336 PolarHBondContact O-N 3.32Å |
| 333 | K | 94.9 | Very high | 95.9 | Very high | 150 Ų | 150 | 95.2 Ų | 95.2 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.1 | -41.5 | 175.4 | -75.3 | 178.1 | -176.8 | 177.9 | 0 | 112.3 | D329 L330 F336 H337 | D329-K333 WeakPolarHBondContact O-CG 3.45Å; D329-K333 PolarHBondContact O-N 3.5Å; L330-K333 PolarHBondContact O-N 2.99Å; K333-F336 PolarHBondContact O-N 3.32Å; K333-H337 WeakPolarHBondContact O-CB 3.34Å; K333-H337 PolarHBondContact O-N 3.19Å |
| 334 | Q | 94.7 | Very high | 95.8 | Very high | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 175.6 | -77.1 | 177.1 | -13.6 | 0 | 0 | 111.3 | L330 G331 E332 F336 H337 D338 | L330-Q334 WeakPolarHBondContact O-CG 3.43Å; L330-Q334 PolarHBondContact O-N 3.43Å; G331-Q334 PolarHBondContact O-N 3.14Å; E332-Q334 VanDerWaalsContact C-N 3.33Å; E332-Q334 PolarHBondContact O-N 3.14Å; Q334-F336 VanDerWaalsContact C-N 3.29Å; Q334-F336 PolarHBondContact O-N 2.94Å; Q334-H337 WeakPolarHBondContact O-CB 3.48Å; Q334-H337 PolarHBondContact O-N 3Å; Q334-H337 VanDerWaalsContact O-N 3.14Å; Q334-D338 VanDerWaalsContact O-CG 3.26Å; Q334-D338 PolarHBondContact O-N 2.86Å |
| 335 | K | 95.8 | Very high | 95.6 | Very high | 140 Ų | 140 | 99 Ų | 99 | 61% | 0.609 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.6 | -42.5 | 176.6 | -74.4 | 176.6 | -177.1 | 179 | 0 | 112.4 | G331 E332 D338 Q339 | G331-K335 WeakPolarHBondContact O-CG 3.25Å; G331-K335 PolarHBondContact O-N 3.01Å; E332-K335 PolarHBondContact O-N 3.37Å; K335-D338 PolarHBondContact O-N 3.14Å; K335-Q339 WeakPolarHBondContact O-CB 3.5Å; K335-Q339 VanDerWaalsContact O-CG 3.25Å; K335-Q339 WeakPolarHBondContact O-CG 3.42Å; K335-Q339 PolarHBondContact O-N 2.92Å |
| 336 | F | 95.3 | Very high | 95.5 | Very high | 122 Ų | 122 | 99.3 Ų | 99.3 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 177.5 | -179.1 | -104.9 | 0 | 0 | 0 | 111.7 | E332 K333 Q334 Q339 Q340 | E332-F336 WeakPolarHBondContact O-CB 3.42Å; E332-F336 PolarHBondContact O-N 3.32Å; K333-F336 PolarHBondContact O-N 3.32Å; Q334-F336 VanDerWaalsContact C-N 3.29Å; Q334-F336 PolarHBondContact O-N 2.94Å; F336-Q339 PolarHBondContact O-N 3.42Å; F336-Q340 HydrophobicContact CE1-CG 4.4Å; F336-Q340 HydrophobicContact CZ-CG 4.47Å; F336-Q340 WeakPolarHBondContact O-CG 3.34Å; F336-Q340 PolarHBondContact O-N 3.33Å |
| 337 | H | 95.6 | Very high | 95.4 | Very high | 102 Ų | 102 | 101.4 Ų | 101.4 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.7 | -179.1 | -90.7 | 0 | 0 | 0 | 112.1 | K333 Q334 Q339 Q340 L341 | K333-H337 WeakPolarHBondContact O-CB 3.34Å; K333-H337 PolarHBondContact O-N 3.19Å; Q334-H337 WeakPolarHBondContact O-CB 3.48Å; Q334-H337 PolarHBondContact O-N 3Å; Q334-H337 VanDerWaalsContact O-N 3.14Å; H337-Q339 VanDerWaalsContact C-N 3.33Å; H337-Q339 PolarHBondContact O-N 2.74Å; H337-Q340 PolarHBondContact O-N 2.92Å; H337-L341 WeakPolarHBondContact CE1-CD1 3.32Å; H337-L341 PolarHBondContact O-N 3.21Å |
| 338 | D | 95.6 | Very high | 95.2 | Very high | 92 Ų | 92 | 104.5 Ų | 104.5 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 178.1 | -66.5 | -17.3 | 0 | 0 | 0 | 112 | Q334 K335 L341 T342 | Q334-D338 VanDerWaalsContact O-CG 3.26Å; Q334-D338 PolarHBondContact O-N 2.86Å; K335-D338 PolarHBondContact O-N 3.14Å; D338-L341 PolarHBondContact O-N 3.43Å; D338-T342 WeakPolarHBondContact O-CB 3.43Å; D338-T342 PolarHBondContact O-N 2.92Å; D338-T342 PolarHBondContact O-OG1 3.2Å |
| 339 | Q | 95.9 | Very high | 95.1 | Very high | 123 Ų | 123 | 103.2 Ų | 103.2 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 173.2 | -76.9 | 174.8 | 3 | 0 | 0 | 112 | K335 F336 H337 T342 T343 | K335-Q339 WeakPolarHBondContact O-CB 3.5Å; K335-Q339 VanDerWaalsContact O-CG 3.25Å; K335-Q339 WeakPolarHBondContact O-CG 3.42Å; K335-Q339 PolarHBondContact O-N 2.92Å; F336-Q339 PolarHBondContact O-N 3.42Å; H337-Q339 VanDerWaalsContact C-N 3.33Å; H337-Q339 PolarHBondContact O-N 2.74Å; Q339-T342 WeakPolarHBondContact CA-OG1 3.36Å; Q339-T342 PolarHBondContact O-OG1 3.02Å; Q339-T342 VanDerWaalsContact O-OG1 3.1Å; Q339-T343 WeakPolarHBondContact O-CB 3.33Å; Q339-T343 PolarHBondContact O-N 3.1Å; Q339-T343 PolarHBondContact O-OG1 2.87Å |
| 340 | Q | 95.1 | Very high | 94.9 | Very high | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175 | -72.9 | -166.3 | 3.4 | 0 | 0 | 111.5 | F336 H337 T342 T343 L344 | F336-Q340 HydrophobicContact CE1-CG 4.4Å; F336-Q340 HydrophobicContact CZ-CG 4.47Å; F336-Q340 WeakPolarHBondContact O-CG 3.34Å; F336-Q340 PolarHBondContact O-N 3.33Å; H337-Q340 PolarHBondContact O-N 2.92Å; Q340-T342 PolarHBondContact O-N 3.38Å; Q340-T343 PolarHBondContact O-N 2.69Å; Q340-L344 WeakPolarHBondContact O-CG 3.39Å; Q340-L344 PolarHBondContact O-N 3.45Å |
| 341 | L | 95.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 105.6 Ų | 105.6 | 40% | 0.403 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 177.6 | -82.7 | 179.1 | 0 | 0 | 0 | 112.3 | H337 D338 T343 L344 L345 | H337-L341 WeakPolarHBondContact CE1-CD1 3.32Å; H337-L341 PolarHBondContact O-N 3.21Å; D338-L341 PolarHBondContact O-N 3.43Å; L341-T343 VanDerWaalsContact C-N 3.26Å; L341-T343 PolarHBondContact O-N 3.48Å; L341-L344 PolarHBondContact O-N 2.98Å; L341-L345 WeakPolarHBondContact O-CB 3.44Å; L341-L345 WeakPolarHBondContact O-CG 3.49Å; L341-L345 PolarHBondContact O-N 3.33Å |
| 342 | T | 94.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 110.3 Ų | 110.3 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -32.9 | 177.6 | 37.2 | 0 | 0 | 0 | 0 | 112.4 | D338 Q339 Q340 K346 | D338-T342 WeakPolarHBondContact O-CB 3.43Å; D338-T342 PolarHBondContact O-N 2.92Å; D338-T342 PolarHBondContact O-OG1 3.2Å; Q339-T342 WeakPolarHBondContact CA-OG1 3.36Å; Q339-T342 PolarHBondContact O-OG1 3.02Å; Q339-T342 VanDerWaalsContact O-OG1 3.1Å; Q340-T342 PolarHBondContact O-N 3.38Å; T342-K346 WeakPolarHBondContact O-CG 3.48Å; T342-K346 PolarHBondContact O-N 3.13Å; T342-K346 VanDerWaalsContact O-N 3.12Å |
| 343 | T | 94.8 | Very high | 94.1 | Very high | 73 Ų | 73 | 109.8 Ų | 109.8 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.2 | -50.1 | 174.1 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | Q339 Q340 L341 L345 K346 E347 | Q339-T343 WeakPolarHBondContact O-CB 3.33Å; Q339-T343 PolarHBondContact O-N 3.1Å; Q339-T343 PolarHBondContact O-OG1 2.87Å; Q340-T343 PolarHBondContact O-N 2.69Å; L341-T343 VanDerWaalsContact C-N 3.26Å; L341-T343 PolarHBondContact O-N 3.48Å; T343-L345 VanDerWaalsContact C-N 3.32Å; T343-L345 PolarHBondContact O-N 2.9Å; T343-K346 WeakPolarHBondContact O-CB 3.32Å; T343-K346 PolarHBondContact O-N 3.12Å; T343-K346 VanDerWaalsContact O-N 3.13Å; T343-E347 WeakPolarHBondContact O-CG 3.48Å; T343-E347 PolarHBondContact O-N 3.34Å |
| 344 | L | 95 | Very high | 93.8 | Very high | 96 Ų | 96 | 108.2 Ų | 108.2 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 177.2 | -72.7 | 171 | 0 | 0 | 0 | 112.5 | Q340 L341 E347 K348 | Q340-L344 WeakPolarHBondContact O-CG 3.39Å; Q340-L344 PolarHBondContact O-N 3.45Å; L341-L344 PolarHBondContact O-N 2.98Å; L344-E347 PolarHBondContact O-N 3.45Å; L344-K348 WeakPolarHBondContact O-CB 3.44Å; L344-K348 PolarHBondContact O-N 2.95Å |
| 345 | L | 94.2 | Very high | 93.5 | Very high | 116 Ų | 116 | 108 Ų | 108 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 176.1 | -78 | 167.7 | 0 | 0 | 0 | 112 | L341 T343 K348 L349 | L341-L345 WeakPolarHBondContact O-CB 3.44Å; L341-L345 WeakPolarHBondContact O-CG 3.49Å; L341-L345 PolarHBondContact O-N 3.33Å; T343-L345 VanDerWaalsContact C-N 3.32Å; T343-L345 PolarHBondContact O-N 2.9Å; L345-K348 PolarHBondContact O-N 3.36Å; L345-L349 WeakPolarHBondContact O-CB 3.48Å; L345-L349 PolarHBondContact O-N 3.37Å |
| 346 | K | 94.6 | Very high | 93.1 | Very high | 143 Ų | 143 | 104 Ų | 104 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.5 | -42.9 | 175.1 | -76 | 174.6 | -177.7 | 177.3 | 0 | 111.7 | T342 T343 L349 Q350 | T342-K346 WeakPolarHBondContact O-CG 3.48Å; T342-K346 PolarHBondContact O-N 3.13Å; T342-K346 VanDerWaalsContact O-N 3.12Å; T343-K346 WeakPolarHBondContact O-CB 3.32Å; T343-K346 PolarHBondContact O-N 3.12Å; T343-K346 VanDerWaalsContact O-N 3.13Å; K346-L349 PolarHBondContact O-N 3.36Å; K346-Q350 WeakPolarHBondContact O-CG 3.43Å; K346-Q350 PolarHBondContact O-N 2.91Å |
| 347 | E | 93.3 | Very high | 92.6 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 176.3 | -71.2 | 176.1 | 176.8 | 0 | 0 | 111.5 | T343 L344 Q350 Q351 | T343-E347 WeakPolarHBondContact O-CG 3.48Å; T343-E347 PolarHBondContact O-N 3.34Å; L344-E347 PolarHBondContact O-N 3.45Å; E347-Q350 PolarHBondContact O-N 2.91Å; E347-Q351 WeakPolarHBondContact O-CG 3.32Å; E347-Q351 PolarHBondContact O-N 2.95Å |
| 348 | K | 93.7 | Very high | 92.2 | Very high | 128 Ų | 128 | 105 Ų | 105 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -47.6 | 173.6 | -88.7 | -76.8 | -174.3 | -178.4 | 0 | 112.3 | L344 L345 Q350 Q351 E352 | L344-K348 WeakPolarHBondContact O-CB 3.44Å; L344-K348 PolarHBondContact O-N 2.95Å; L345-K348 PolarHBondContact O-N 3.36Å; K348-Q350 VanDerWaalsContact C-N 3.32Å; K348-Q350 PolarHBondContact O-N 3.44Å; K348-Q351 WeakPolarHBondContact O-CB 3.43Å; K348-Q351 PolarHBondContact O-N 2.92Å; K348-E352 PolarHBondContact O-N 3.22Å |
| 349 | L | 93.4 | Very high | 91.7 | Very high | 99 Ų | 99 | 105.2 Ų | 105.2 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 179.1 | -172 | 69.6 | 0 | 0 | 0 | 111.8 | L345 K346 E352 Q353 | L345-L349 WeakPolarHBondContact O-CB 3.48Å; L345-L349 PolarHBondContact O-N 3.37Å; K346-L349 PolarHBondContact O-N 3.36Å; L349-E352 PolarHBondContact O-N 2.93Å; L349-Q353 PolarHBondContact O-N 3.36Å |
| 350 | Q | 91.6 | Very high | 91.2 | Very high | 115 Ų | 115 | 103.4 Ų | 103.4 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 174.4 | -78.2 | -177.9 | -14.2 | 0 | 0 | 112 | K346 E347 K348 Q353 Q354 | K346-Q350 WeakPolarHBondContact O-CG 3.43Å; K346-Q350 PolarHBondContact O-N 2.91Å; E347-Q350 PolarHBondContact O-N 2.91Å; K348-Q350 VanDerWaalsContact C-N 3.32Å; K348-Q350 PolarHBondContact O-N 3.44Å; Q350-Q353 PolarHBondContact O-N 2.95Å; Q350-Q354 VanDerWaalsContact O-CG 3.32Å; Q350-Q354 WeakPolarHBondContact O-CG 3.46Å; Q350-Q354 PolarHBondContact O-N 3.42Å |
| 351 | Q | 91.7 | Very high | 90.6 | Very high | 110 Ų | 110 | 103.5 Ų | 103.5 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 173.9 | -79.6 | -177.1 | -19.3 | 0 | 0 | 111.6 | E347 K348 Q353 Q354 L355 | E347-Q351 WeakPolarHBondContact O-CG 3.32Å; E347-Q351 PolarHBondContact O-N 2.95Å; K348-Q351 WeakPolarHBondContact O-CB 3.43Å; K348-Q351 PolarHBondContact O-N 2.92Å; Q351-Q353 PolarHBondContact O-N 3.37Å; Q351-Q354 PolarHBondContact O-N 3.4Å; Q351-L355 WeakPolarHBondContact O-CB 3.29Å; Q351-L355 WeakPolarHBondContact O-CD1 3.49Å; Q351-L355 PolarHBondContact O-N 2.88Å |
| 352 | E | 90.9 | Very high | 90 | Very high | 122 Ų | 122 | 103.6 Ų | 103.6 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 176.9 | -75.4 | -178.1 | 173.1 | 0 | 0 | 112.1 | K348 L349 L355 A356 | K348-E352 PolarHBondContact O-N 3.22Å; L349-E352 PolarHBondContact O-N 2.93Å; E352-L355 PolarHBondContact O-N 2.96Å; E352-A356 WeakPolarHBondContact O-CB 3.3Å; E352-A356 PolarHBondContact O-N 3.49Å |
| 353 | Q | 89.4 | Confident | 89.3 | Confident | 114 Ų | 114 | 105.7 Ų | 105.7 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 173.6 | -82 | -177 | -19.5 | 0 | 0 | 112.5 | L349 Q350 Q351 A356 Q357 | L349-Q353 PolarHBondContact O-N 3.36Å; Q350-Q353 PolarHBondContact O-N 2.95Å; Q351-Q353 PolarHBondContact O-N 3.37Å; Q353-A356 PolarHBondContact O-N 2.76Å; Q353-Q357 WeakPolarHBondContact O-CB 3.48Å; Q353-Q357 VanDerWaalsContact O-CG 3.29Å; Q353-Q357 WeakPolarHBondContact O-CG 3.47Å; Q353-Q357 PolarHBondContact O-N 3.26Å |
| 354 | Q | 89.4 | Confident | 88.6 | Confident | 117 Ų | 117 | 104.7 Ų | 104.7 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 176.6 | -73.5 | 176.7 | 11.5 | 0 | 0 | 111.8 | Q350 Q351 Q357 K358 | Q350-Q354 VanDerWaalsContact O-CG 3.32Å; Q350-Q354 WeakPolarHBondContact O-CG 3.46Å; Q350-Q354 PolarHBondContact O-N 3.42Å; Q351-Q354 PolarHBondContact O-N 3.4Å; Q354-Q357 PolarHBondContact O-N 3.14Å; Q354-K358 WeakPolarHBondContact O-CB 3.49Å; Q354-K358 VanDerWaalsContact O-CG 3.3Å; Q354-K358 WeakPolarHBondContact O-CG 3.49Å; Q354-K358 PolarHBondContact O-N 3.36Å |
| 355 | L | 88.7 | Confident | 87.8 | Confident | 106 Ų | 106 | 104.5 Ų | 104.5 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.7 | -47.9 | 173.8 | -83.6 | 153.1 | 0 | 0 | 0 | 111.1 | Q351 E352 Q357 K358 D359 | Q351-L355 WeakPolarHBondContact O-CB 3.29Å; Q351-L355 WeakPolarHBondContact O-CD1 3.49Å; Q351-L355 PolarHBondContact O-N 2.88Å; E352-L355 PolarHBondContact O-N 2.96Å; L355-Q357 VanDerWaalsContact C-N 3.31Å; L355-Q357 PolarHBondContact O-N 2.92Å; L355-K358 PolarHBondContact O-N 3.38Å; L355-K358 VanDerWaalsContact O-N 3.14Å; L355-D359 PolarHBondContact O-N 3.35Å |
| 356 | A | 87.8 | Confident | 86.9 | Confident | 55 Ų | 55 | 108 Ų | 108 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E352 Q353 T360 | E352-A356 WeakPolarHBondContact O-CB 3.3Å; E352-A356 PolarHBondContact O-N 3.49Å; Q353-A356 PolarHBondContact O-N 2.76Å; A356-T360 PolarHBondContact O-N 2.85Å; A356-T360 PolarHBondContact O-OG1 2.96Å |
| 357 | Q | 84.1 | Confident | 85.8 | Confident | 125 Ų | 125 | 108.6 Ų | 108.6 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.3 | -41.4 | 173.6 | -75.2 | 175 | 3.8 | 0 | 0 | 112.2 | Q353 Q354 L355 T360 E361 | Q353-Q357 WeakPolarHBondContact O-CB 3.48Å; Q353-Q357 VanDerWaalsContact O-CG 3.29Å; Q353-Q357 WeakPolarHBondContact O-CG 3.47Å; Q353-Q357 PolarHBondContact O-N 3.26Å; Q354-Q357 PolarHBondContact O-N 3.14Å; L355-Q357 VanDerWaalsContact C-N 3.31Å; L355-Q357 PolarHBondContact O-N 2.92Å; Q357-T360 VanDerWaalsContact CA-OG1 3.31Å; Q357-T360 WeakPolarHBondContact CA-OG1 3.19Å; Q357-T360 PolarHBondContact O-N 3.36Å; Q357-T360 PolarHBondContact O-OG1 2.96Å; Q357-E361 WeakPolarHBondContact O-CB 3.31Å; Q357-E361 PolarHBondContact O-N 2.76Å |
| 358 | K | 86.8 | Confident | 84.4 | Confident | 119 Ų | 119 | 110.9 Ų | 110.9 | 52% | 0.517 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 176.1 | -72.2 | -73.6 | 157.6 | -157 | 0 | 111.8 | Q354 L355 E361 I362 | Q354-K358 WeakPolarHBondContact O-CB 3.49Å; Q354-K358 VanDerWaalsContact O-CG 3.3Å; Q354-K358 WeakPolarHBondContact O-CG 3.49Å; Q354-K358 PolarHBondContact O-N 3.36Å; L355-K358 PolarHBondContact O-N 3.38Å; L355-K358 VanDerWaalsContact O-N 3.14Å; K358-E361 IonicContact NZ-OE2 3.06Å; K358-E361 PolarHBondContact NZ-OE2 2.85Å; K358-E361 PolarHBondContact O-N 2.91Å; K358-I362 WeakPolarHBondContact O-CB 3.44Å; K358-I362 WeakPolarHBondContact O-CD1 3.41Å; K358-I362 WeakPolarHBondContact O-CG1 3.36Å; K358-I362 PolarHBondContact O-N 3.39Å |
| 359 | D | 85.4 | Confident | 82.6 | Confident | 98 Ų | 98 | 110.8 Ų | 110.8 | 52% | 0.524 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.8 | -76.9 | -24.4 | 0 | 0 | 0 | 112.1 | L355 I362 Q363 | L355-D359 PolarHBondContact O-N 3.35Å; D359-I362 PolarHBondContact O-N 3.45Å; D359-Q363 VanDerWaalsContact O-CB 3.31Å; D359-Q363 WeakPolarHBondContact O-CB 3.45Å; D359-Q363 PolarHBondContact O-N 2.9Å |
| 360 | T | 84.9 | Confident | 80.4 | Confident | 85 Ų | 85 | 111.5 Ų | 111.5 | 52% | 0.521 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.1 | -38.4 | 174 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | A356 Q357 Q363 A364 | A356-T360 PolarHBondContact O-N 2.85Å; A356-T360 PolarHBondContact O-OG1 2.96Å; Q357-T360 VanDerWaalsContact CA-OG1 3.31Å; Q357-T360 WeakPolarHBondContact CA-OG1 3.19Å; Q357-T360 PolarHBondContact O-N 3.36Å; Q357-T360 PolarHBondContact O-OG1 2.96Å; T360-Q363 PolarHBondContact O-N 3.43Å; T360-A364 WeakPolarHBondContact O-CB 3.31Å; T360-A364 PolarHBondContact O-N 3.34Å |
| 361 | E | 82.5 | Confident | 78.4 | Confident | 100 Ų | 100 | 111.9 Ų | 111.9 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.5 | -43.7 | 173.9 | -168.4 | 175.9 | -159.8 | 0 | 0 | 111.5 | Q357 K358 Q363 A364 L365 | Q357-E361 WeakPolarHBondContact O-CB 3.31Å; Q357-E361 PolarHBondContact O-N 2.76Å; K358-E361 IonicContact NZ-OE2 3.06Å; K358-E361 PolarHBondContact NZ-OE2 2.85Å; K358-E361 PolarHBondContact O-N 2.91Å; E361-Q363 VanDerWaalsContact C-N 3.32Å; E361-Q363 PolarHBondContact O-N 3.4Å; E361-A364 PolarHBondContact O-N 3.47Å; E361-L365 HydrophobicContact CG-CD1 4.47Å; E361-L365 WeakPolarHBondContact O-CB 3.41Å; E361-L365 VanDerWaalsContact O-CG 3.28Å; E361-L365 WeakPolarHBondContact O-CG 3.38Å; E361-L365 PolarHBondContact O-N 3.02Å |
| 362 | I | 83.3 | Confident | 75.9 | Confident | 79 Ų | 79 | 116.1 Ų | 116.1 | 41% | 0.405 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.7 | -40.8 | 173.9 | -71.1 | 165.6 | 0 | 0 | 0 | 110.8 | K358 D359 L365 R366 | K358-I362 WeakPolarHBondContact O-CB 3.44Å; K358-I362 WeakPolarHBondContact O-CD1 3.41Å; K358-I362 WeakPolarHBondContact O-CG1 3.36Å; K358-I362 PolarHBondContact O-N 3.39Å; D359-I362 PolarHBondContact O-N 3.45Å; I362-L365 PolarHBondContact O-N 3.32Å; I362-R366 WeakPolarHBondContact O-CB 3.28Å; I362-R366 WeakPolarHBondContact O-CG 3.45Å; I362-R366 PolarHBondContact O-N 2.87Å |
| 363 | Q | 80.6 | Confident | 73.5 | Confident | 118 Ų | 118 | 113.8 Ų | 113.8 | 55% | 0.551 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.2 | -39.6 | 179 | -156.8 | 173.3 | 25.1 | 0 | 0 | 111.6 | D359 T360 E361 R366 Q367 | D359-Q363 VanDerWaalsContact O-CB 3.31Å; D359-Q363 WeakPolarHBondContact O-CB 3.45Å; D359-Q363 PolarHBondContact O-N 2.9Å; T360-Q363 PolarHBondContact O-N 3.43Å; E361-Q363 VanDerWaalsContact C-N 3.32Å; E361-Q363 PolarHBondContact O-N 3.4Å; Q363-R366 PolarHBondContact O-N 3.18Å; Q363-Q367 WeakPolarHBondContact O-CG 3.33Å; Q363-Q367 PolarHBondContact O-N 2.88Å |
| 364 | A | 79.4 | Confident | 70.8 | Confident | 51 Ų | 51 | 111.7 Ų | 111.7 | 42% | 0.421 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.3 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | T360 E361 R366 Q367 M368 | T360-A364 WeakPolarHBondContact O-CB 3.31Å; T360-A364 PolarHBondContact O-N 3.34Å; E361-A364 PolarHBondContact O-N 3.47Å; A364-R366 VanDerWaalsContact C-N 3.35Å; A364-R366 PolarHBondContact O-N 3.16Å; A364-Q367 PolarHBondContact O-N 3.1Å; A364-M368 PolarHBondContact O-N 3.3Å; A364-M368 VanDerWaalsContact O-N 3.16Å |
| 365 | L | 77.8 | Confident | 69.2 | Low | 92 Ų | 92 | 112 Ų | 112 | 48% | 0.482 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.2 | -41.2 | 174.7 | -72.6 | 169.8 | 0 | 0 | 0 | 111.7 | E361 I362 Q367 M368 L369 | E361-L365 HydrophobicContact CG-CD1 4.47Å; E361-L365 WeakPolarHBondContact O-CB 3.41Å; E361-L365 VanDerWaalsContact O-CG 3.28Å; E361-L365 WeakPolarHBondContact O-CG 3.38Å; E361-L365 PolarHBondContact O-N 3.02Å; I362-L365 PolarHBondContact O-N 3.32Å; L365-Q367 VanDerWaalsContact C-N 3.29Å; L365-Q367 PolarHBondContact O-N 3.39Å; L365-M368 HydrophobicContact CD2-CE 4.15Å; L365-M368 PolarHBondContact O-N 3.47Å; L365-M368 VanDerWaalsContact O-N 3.1Å; L365-L369 WeakPolarHBondContact O-CD1 3.41Å; L365-L369 PolarHBondContact O-N 3.37Å |
| 366 | R | 75.6 | Confident | 67.3 | Low | 190 Ų | 190 | 112.1 Ų | 112.1 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.3 | -33.4 | 174.3 | -78.1 | 178.2 | 179 | -165.9 | 1.5 | 113 | I362 Q363 A364 M368 L369 | I362-R366 WeakPolarHBondContact O-CB 3.28Å; I362-R366 WeakPolarHBondContact O-CG 3.45Å; I362-R366 PolarHBondContact O-N 2.87Å; Q363-R366 PolarHBondContact O-N 3.18Å; A364-R366 VanDerWaalsContact C-N 3.35Å; A364-R366 PolarHBondContact O-N 3.16Å; R366-M368 VanDerWaalsContact C-N 3.31Å; R366-L369 PolarHBondContact O-N 2.88Å |
| 367 | Q | 71.7 | Confident | 64.9 | Low | 155 Ų | 155 | 116.9 Ų | 116.9 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.3 | -22.5 | 174.8 | -71.2 | 176.1 | 11 | 0 | 0 | 113 | Q363 A364 L365 | Q363-Q367 WeakPolarHBondContact O-CG 3.33Å; Q363-Q367 PolarHBondContact O-N 2.88Å; A364-Q367 PolarHBondContact O-N 3.1Å; L365-Q367 VanDerWaalsContact C-N 3.29Å; L365-Q367 PolarHBondContact O-N 3.39Å |
| 368 | M | 64.3 | Low | 63.1 | Low | 151 Ų | 151 | 115.8 Ų | 115.8 | 74% | 0.744 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -87 | -7 | 174.9 | -65.8 | -151 | -62.6 | 0 | 0 | 114.1 | A364 L365 R366 | A364-M368 PolarHBondContact O-N 3.3Å; A364-M368 VanDerWaalsContact O-N 3.16Å; L365-M368 HydrophobicContact CD2-CE 4.15Å; L365-M368 PolarHBondContact O-N 3.47Å; L365-M368 VanDerWaalsContact O-N 3.1Å; R366-M368 VanDerWaalsContact C-N 3.31Å |
| 369 | L | 55.2 | Low | 60.9 | Low | 126 Ų | 126 | 114.4 Ų | 114.4 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -79.2 | 129.4 | 169.3 | -92.2 | 106.9 | 0 | 0 | 0 | 110.3 | L365 R366 S371 | L365-L369 WeakPolarHBondContact O-CD1 3.41Å; L365-L369 PolarHBondContact O-N 3.37Å; R366-L369 PolarHBondContact O-N 2.88Å; L369-S371 PolarHBondContact O-N 3.07Å |
| 370 | P | 48.3 | Very low | 59.1 | Low | 113 Ų | 113 | 115.8 Ų | 115.8 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | -64.7 | 127.5 | 177.7 | 24.8 | -31.2 | 0 | 0 | 0 | 110.5 | K372 | P370-K372 PolarHBondContact O-N 3.47Š| ||
| 371 | S | 48.1 | Very low | 57 | Low | 123 Ų | 123 | 119.6 Ų | 119.6 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | trans | -58.7 | 99.4 | 173.4 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | L369 | L369-S371 PolarHBondContact O-N 3.07Š| ||
| 372 | K | 40.8 | Very low | 55 | Low | 200 Ų | 200 | 122.5 Ų | 122.5 | 87% | 0.87 | 71% | 0.711 | S | S | * | * | trans | -94.5 | 108.9 | 157.8 | -79.2 | -165 | 174.8 | -176.2 | 0 | 107.1 | P370 | P370-K372 PolarHBondContact O-N 3.47Š| ||
| 373 | G | 39.2 | Very low | 52.7 | Low | 73 Ų | 73 | 124.8 Ų | 124.8 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -69.3 | 171.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 374 | G | 32.9 | Very low | 50.9 | Low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 128.6 | 111.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 375 | P | 55 | Low | 49.3 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -76.6 | 162.9 | 175.7 | 36.9 | -34.3 | 0 | 0 | 0 | 109.8 | ||||
| 376 | P | 49.2 | Very low | 47.7 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | -151.7 | 157.7 | 97.4 | 35.1 | -15.5 | 0 | 0 | 0 | 117 | |||||
| 377 | N | 37 | Very low | 46.4 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | 72.6 | 105.2 | 143.1 | -65.5 | -11.7 | 0 | 0 | 0 | 120.3 | A379 | N377-A379 PolarHBondContact O-N 3.31Š| ||
| 378 | A | 47.3 | Very low | 45.4 | Very low | 102 Ų | 102 | 130 Ų | 130 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -44.7 | 122.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 379 | A | 40.5 | Very low | 44.2 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | -124.3 | 98.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | N377 L381 | N377-A379 PolarHBondContact O-N 3.31Å; A379-L381 PolarHBondContact O-N 2.91Å | ||
| 380 | V | 47.6 | Very low | 43.6 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -63.9 | 118 | 164.9 | 170.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 381 | L | 40.7 | Very low | 43.4 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -128 | 112.1 | 159.1 | -114.4 | 117.3 | 0 | 0 | 0 | 109 | A379 | A379-L381 PolarHBondContact O-N 2.91Š| ||
| 382 | Q | 40 | Very low | 43.1 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -57.2 | 145.5 | 168 | -66.1 | 166.7 | -33.4 | 0 | 0 | 110.4 | ||||
| 383 | T | 36.1 | Very low | 43.2 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | 168.4 | 128.6 | 105.3 | 36.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 384 | V | 42.6 | Very low | 43.5 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 74% | 0.739 | 82% | 0.824 | S | S | * | * | trans | 68 | 123.1 | 140.6 | -173.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 385 | P | 45.9 | Very low | 44.2 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | trans | -85.7 | 126.8 | 163.2 | 32.6 | -26.2 | 0 | 0 | 0 | 110.7 | ||||
| 386 | Q | 44.3 | Very low | 43.4 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -97.9 | 113.6 | 166.9 | -122.6 | -173.9 | 2.5 | 0 | 0 | 109.8 | ||||
| 387 | Q | 47.6 | Very low | 43 | Very low | 201 Ų | 201 | 150.9 Ų | 150.9 | 94% | 0.939 | 84% | 0.843 | S | S | * | * | trans | -66.4 | 145.4 | 159.4 | -103.3 | 174.7 | -22.4 | 0 | 0 | 110.9 | ||||
| 388 | G | 50 | Low | 43.5 | Very low | 76 Ų | 76 | 150.6 Ų | 150.6 | 78% | 0.784 | 84% | 0.844 | S | S | * | * | trans | 147.1 | 126.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 389 | R | 39.4 | Very low | 43.1 | Very low | 321 Ų | 321 | 155 Ų | 155 | 100% | 1.211 | 84% | 0.844 | S | S | * | * | cis | -165 | 0 | 17 | -158.5 | -178.1 | -158.7 | 175.7 | 4.9 | 108 |
Retrieved 389 of 389 residues in 423.7 ms
(Link to these results)