| 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 | 45.9 | Very low | 50.2 | Low | 245 Ų | 245 | 141.8 Ų | 141.8 | 100% | 1.207 | 82% | 0.823 | S | S | * | * | 0 | 126.3 | 0 | -77 | -63.2 | -165.9 | 0 | 0 | 107.4 | |||||
| 2 | G | 49.7 | Very low | 49.9 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 80.2 | 127.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3 | S | 45.4 | Very low | 49 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 83% | 0.826 | S | S | * | * | trans | -167.3 | 130.3 | 179.8 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 4 | H | 60.8 | Low | 48.7 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 82% | 0.819 | 83% | 0.825 | S | S | * | * | trans | -143.5 | 132.2 | 170.3 | -59.2 | -72.3 | 0 | 0 | 0 | 106.8 | ||||
| 5 | T | 51.8 | Low | 48 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 83% | 0.825 | S | S | * | * | cis | 66.9 | 124.7 | 35.4 | 79.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 6 | T | 52.1 | Low | 47.8 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | cis | -151.9 | 175.8 | 16.2 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 7 | N | 47.4 | Very low | 47.1 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | cis | -160.4 | 170.6 | -16.9 | -106.8 | 24.3 | 0 | 0 | 0 | 109.4 | ||||
| 8 | P | 53.7 | Low | 46.8 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | -101.8 | 175.5 | -174.7 | 40.3 | -36.4 | 0 | 0 | 0 | 115.9 | ||||
| 9 | I | 52.6 | Low | 46.2 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 86% | 0.862 | 82% | 0.817 | S | S | * | * | trans | -140.3 | 139.4 | 165.3 | -63.3 | -178.7 | 0 | 0 | 0 | 109.4 | ||||
| 10 | D | 41.8 | Very low | 45.8 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -86.3 | 164 | -178.6 | -58.1 | -79 | 0 | 0 | 0 | 115.3 | ||||
| 11 | V | 51.3 | Low | 45.5 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -170.3 | 143.8 | 130 | 136.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | P | 46.3 | Very low | 45.1 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -102.1 | 163.4 | -162.4 | 39 | -37.3 | 0 | 0 | 0 | 116.5 | ||||
| 13 | S | 38 | Very low | 44.7 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -75.9 | 148.8 | 169.8 | -55.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 14 | G | 45.1 | Very low | 44.3 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -146.1 | 135.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 15 | S | 37.3 | Very low | 43.3 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -99.4 | 134.1 | -177.5 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 16 | H | 46 | Very low | 42.7 | Very low | 205 Ų | 205 | 137.5 Ų | 137.5 | 95% | 0.949 | 78% | 0.781 | S | S | * | * | trans | -142.9 | 150.9 | 162.7 | -99.1 | -80.9 | 0 | 0 | 0 | 111.9 | ||||
| 17 | H | 36 | Very low | 41.9 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -110.4 | 135.2 | -166.8 | -169 | -38.2 | 0 | 0 | 0 | 109.8 | ||||
| 18 | L | 41.4 | Very low | 41.2 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -142.2 | 156.8 | 167.2 | -96.8 | 172.7 | 0 | 0 | 0 | 109.9 | ||||
| 19 | A | 35.7 | Very low | 40.1 | Very low | 61 Ų | 61 | 139.2 Ų | 139.2 | 50% | 0.504 | 79% | 0.786 | S | S | . | * | trans | -140.5 | -178.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 20 | D | 37.1 | Very low | 39.2 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 69.8 | 152.3 | 162.1 | -58.2 | -26.8 | 0 | 0 | 0 | 116.3 | ||||
| 21 | V | 39.2 | Very low | 38.6 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | cis | -161.8 | 151.9 | -10.4 | 118.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | E | 37.5 | Very low | 37.8 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | trans | 58.6 | 154.8 | 164.4 | -80.8 | -172.3 | 126 | 0 | 0 | 118.2 | K24 | E22-K24 IonicContact OE1-NZ 3.29Å; E22-K24 PolarHBondContact OE1-NZ 3.47Å | ||
| 23 | N | 41.3 | Very low | 37.1 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | cis | -153.3 | 161.1 | 47.8 | -163.2 | 2.1 | 0 | 0 | 0 | 114 | ||||
| 24 | K | 38.3 | Very low | 36.9 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 65% | 0.648 | 77% | 0.771 | S | S | * | * | trans | -82.7 | 156.4 | 178.7 | -59.8 | 137.1 | -177.1 | 142.7 | 0 | 110.9 | E22 | E22-K24 IonicContact OE1-NZ 3.29Å; E22-K24 PolarHBondContact OE1-NZ 3.47Å | ||
| 25 | N | 39.1 | Very low | 36.2 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -168.3 | 145.1 | 137.4 | -104.1 | -27.7 | 0 | 0 | 0 | 115.6 | ||||
| 26 | N | 40 | Very low | 35.9 | Very low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 77.4 | 150.5 | 157.3 | -59.4 | -20 | 0 | 0 | 0 | 120.4 | ||||
| 27 | L | 34.4 | Very low | 35.3 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -138.1 | 171.6 | -158 | -143.4 | 77.3 | 0 | 0 | 0 | 109.6 | ||||
| 28 | C | 32.8 | Very low | 35.6 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 71.8 | 154.6 | 173.4 | -55.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 29 | N | 31.4 | Very low | 35.5 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | cis | -142.5 | 178.9 | 6.1 | -146.1 | 1.8 | 0 | 0 | 0 | 113.4 | ||||
| 30 | T | 32.8 | Very low | 36 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 64% | 0.644 | 79% | 0.788 | S | S | * | * | trans | -93 | 164.4 | -165.1 | 56 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 31 | N | 29.6 | Very low | 35.9 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | 81.8 | 87.4 | 153 | -58.8 | -21.3 | 0 | 0 | 0 | 121.4 | ||||
| 32 | A | 35.3 | Very low | 36.1 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -160.9 | 124.7 | 139.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 33 | L | 31.1 | Very low | 36.5 | Very low | 175 Ų | 175 | 129.3 Ų | 129.3 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | cis | 81 | 54.5 | 32.4 | -137 | -177.8 | 0 | 0 | 0 | 114.7 | ||||
| 34 | A | 33.2 | Very low | 36.7 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | -159.1 | 144.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 35 | E | 31.4 | Very low | 37.1 | Very low | 188 Ų | 188 | 123 Ų | 123 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | trans | 30.9 | 105.6 | 155.4 | -64 | 174 | 115.3 | 0 | 0 | 120.9 | ||||
| 36 | C | 30.9 | Very low | 37.5 | Very low | 135 Ų | 135 | 118.4 Ų | 118.4 | 91% | 0.912 | 70% | 0.702 | S | S | * | * | trans | -93.3 | 96 | 154.3 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 37 | A | 33.1 | Very low | 37.7 | Very low | 88 Ų | 88 | 113.1 Ų | 113.1 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 137.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | R39 | A37-R39 PolarHBondContact O-N 3.22Š|
| 38 | P | 41.8 | Very low | 38.6 | Very low | 123 Ų | 123 | 112.8 Ų | 112.8 | 80% | 0.799 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 123.3 | 176.3 | 28.1 | -33 | 0 | 0 | 0 | 109.7 | V40 | P38-V40 PolarHBondContact O-N 3.39Š|
| 39 | R | 40 | Very low | 39.6 | Very low | 245 Ų | 245 | 115.7 Ų | 115.7 | 93% | 0.925 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 128.1 | 168.4 | -82.9 | -177.8 | 159.3 | -165.2 | -7.3 | 108.8 | A37 G41 | A37-R39 PolarHBondContact O-N 3.22Å; R39-G41 PolarHBondContact O-N 3.42Å |
| 40 | V | 45 | Very low | 40.4 | Very low | 146 Ų | 146 | 112.4 Ų | 112.4 | 89% | 0.885 | 64% | 0.641 | S | S | * | * | trans | -62.7 | 102.2 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | P38 | P38-V40 PolarHBondContact O-N 3.39Š| ||
| 41 | G | 36.9 | Very low | 41.5 | Very low | 45 Ų | 45 | 109.6 Ų | 109.6 | 46% | 0.464 | 62% | 0.623 | S | S | . | * | trans | -80.7 | 149.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | R39 A43 | R39-G41 PolarHBondContact O-N 3.42Å; G41-A43 PolarHBondContact O-N 2.87Å | ||
| 42 | C | 42.9 | Very low | 42.8 | Very low | 79 Ų | 79 | 105.4 Ų | 105.4 | 53% | 0.534 | 60% | 0.601 | S | S | . | * | trans | -59.1 | 137 | 176.2 | -65.4 | 0 | 0 | 0 | 0 | 110.2 | L44 D45 S46 | C42-L44 PolarHBondContact O-N 3.09Å; C42-D45 WeakPolarHBondContact O-CB 3.3Å; C42-D45 PolarHBondContact O-N 2.97Å; C42-S46 PolarHBondContact O-N 3.3Å; C42-S46 VanDerWaalsContact O-N 3.14Å | ||
| 43 | A | 44.9 | Very low | 43.8 | Very low | 43 Ų | 43 | 105.6 Ų | 105.6 | 36% | 0.355 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -55.1 | -25.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G41 S46 A47 | G41-A43 PolarHBondContact O-N 2.87Å; A43-S46 PolarHBondContact O-N 3.46Å; A43-A47 WeakPolarHBondContact O-CB 3.38Å; A43-A47 PolarHBondContact O-N 3.14Å |
| 44 | L | 46.3 | Very low | 44.8 | Very low | 76 Ų | 76 | 101.6 Ų | 101.6 | 40% | 0.398 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.9 | -37.9 | 173.3 | -120.2 | 165.9 | 0 | 0 | 0 | 113.4 | C42 R48 L409 | C42-L44 PolarHBondContact O-N 3.09Å; L44-R48 WeakPolarHBondContact O-CB 3.41Å; L44-R48 VanDerWaalsContact O-CG 3.29Å; L44-R48 WeakPolarHBondContact O-CG 3.34Å; L44-R48 PolarHBondContact O-N 3.11Å; L44-L409 HydrophobicContact CD1-CD2 4.03Å |
| 45 | D | 45.7 | Very low | 45.5 | Very low | 84 Ų | 84 | 99.3 Ų | 99.3 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.7 | -38.4 | 172.2 | -83.4 | -26.2 | 0 | 0 | 0 | 111 | C42 R48 R49 | C42-D45 WeakPolarHBondContact O-CB 3.3Å; C42-D45 PolarHBondContact O-N 2.97Å; D45-R48 PolarHBondContact O-N 3.49Å; D45-R49 WeakPolarHBondContact O-CB 3.46Å; D45-R49 VanDerWaalsContact O-CG 3.29Å; D45-R49 WeakPolarHBondContact O-CG 3.36Å; D45-R49 PolarHBondContact O-N 3.01Å |
| 46 | S | 48.7 | Very low | 46.5 | Very low | 48 Ų | 48 | 97.6 Ų | 97.6 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 173.3 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | C42 A43 R49 F50 | C42-S46 PolarHBondContact O-N 3.3Å; C42-S46 VanDerWaalsContact O-N 3.14Å; A43-S46 PolarHBondContact O-N 3.46Å; S46-R49 PolarHBondContact O-N 3.34Å; S46-F50 WeakPolarHBondContact O-CB 3.5Å; S46-F50 PolarHBondContact O-N 2.64Å |
| 47 | A | 43 | Very low | 47.4 | Very low | 38 Ų | 38 | 95.4 Ų | 95.4 | 31% | 0.314 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A43 F50 T51 | A43-A47 WeakPolarHBondContact O-CB 3.38Å; A43-A47 PolarHBondContact O-N 3.14Å; A47-F50 PolarHBondContact O-N 3.28Å; A47-T51 PolarHBondContact O-N 3.25Å; A47-T51 PolarHBondContact O-OG1 2.78Å |
| 48 | R | 54.1 | Low | 48.1 | Very low | 153 Ų | 153 | 97.6 Ų | 97.6 | 58% | 0.577 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -49.1 | 174.9 | -77 | 174.2 | 178.5 | -168 | 0.6 | 111.7 | L44 D45 F50 T51 D52 | L44-R48 WeakPolarHBondContact O-CB 3.41Å; L44-R48 VanDerWaalsContact O-CG 3.29Å; L44-R48 WeakPolarHBondContact O-CG 3.34Å; L44-R48 PolarHBondContact O-N 3.11Å; D45-R48 PolarHBondContact O-N 3.49Å; R48-F50 VanDerWaalsContact C-N 3.32Å; R48-F50 PolarHBondContact O-N 2.95Å; R48-T51 PolarHBondContact O-N 3.22Å; R48-T51 PolarHBondContact O-OG1 2.65Å; R48-D52 VanDerWaalsContact O-CG 3.26Å; R48-D52 PolarHBondContact O-N 3.04Å |
| 49 | R | 54.1 | Low | 48.4 | Very low | 171 Ų | 171 | 96.2 Ų | 96.2 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.1 | -44.9 | 174.2 | -72.1 | 173.9 | -175.6 | -132.4 | 0.3 | 111.3 | D45 S46 T51 D52 D53 | D45-R49 WeakPolarHBondContact O-CB 3.46Å; D45-R49 VanDerWaalsContact O-CG 3.29Å; D45-R49 WeakPolarHBondContact O-CG 3.36Å; D45-R49 PolarHBondContact O-N 3.01Å; S46-R49 PolarHBondContact O-N 3.34Å; R49-T51 VanDerWaalsContact C-N 3.31Å; R49-T51 PolarHBondContact O-N 3.27Å; R49-D52 PolarHBondContact O-N 3.02Å; R49-D52 VanDerWaalsContact O-N 3.12Å; R49-D53 VanDerWaalsContact O-CB 3.25Å; R49-D53 WeakPolarHBondContact O-CB 3.31Å; R49-D53 PolarHBondContact O-N 3.29Å |
| 50 | F | 47.8 | Very low | 48.5 | Very low | 79 Ų | 79 | 89 Ų | 89 | 35% | 0.346 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 178.3 | -137.9 | -67.7 | 0 | 0 | 0 | 112.6 | S46 A47 R48 F54 M338 | S46-F50 WeakPolarHBondContact O-CB 3.5Å; S46-F50 PolarHBondContact O-N 2.64Å; A47-F50 PolarHBondContact O-N 3.28Å; R48-F50 VanDerWaalsContact C-N 3.32Å; R48-F50 PolarHBondContact O-N 2.95Å; F50-F54 WeakPolarHBondContact O-CB 3.32Å; F50-F54 PolarHBondContact O-N 2.77Å; F50-F54 VanDerWaalsContact O-N 3.08Å; F50-M338 HydrophobicContact CD1-CE 3.39Å; F50-M338 HydrophobicContact CD1-SD 4.44Å; F50-M338 HydrophobicContact CE1-CE 3.29Å; F50-M338 HydrophobicContact CE1-SD 3.74Å; F50-M338 HydrophobicContact CG-CE 4.22Å; F50-M338 HydrophobicContact CZ-CE 4.06Å; F50-M338 HydrophobicContact CZ-SD 4.13Å |
| 51 | T | 54.9 | Low | 48 | Very low | 46 Ų | 46 | 89 Ų | 89 | 28% | 0.282 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 173.4 | 49 | 0 | 0 | 0 | 0 | 112.8 | A47 R48 R49 D55 | A47-T51 PolarHBondContact O-N 3.25Å; A47-T51 PolarHBondContact O-OG1 2.78Å; R48-T51 PolarHBondContact O-N 3.22Å; R48-T51 PolarHBondContact O-OG1 2.65Å; R49-T51 VanDerWaalsContact C-N 3.31Å; R49-T51 PolarHBondContact O-N 3.27Å; T51-D55 WeakPolarHBondContact O-CB 3.03Å; T51-D55 PolarHBondContact O-N 2.86Å; T51-D55 VanDerWaalsContact O-N 3.07Å |
| 52 | D | 58.3 | Low | 47.9 | Very low | 68 Ų | 68 | 92.5 Ų | 92.5 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.9 | -38.9 | -178.9 | -59.4 | -26.9 | 0 | 0 | 0 | 111.7 | R48 R49 F54 D55 E56 | R48-D52 VanDerWaalsContact O-CG 3.26Å; R48-D52 PolarHBondContact O-N 3.04Å; R49-D52 PolarHBondContact O-N 3.02Å; R49-D52 VanDerWaalsContact O-N 3.12Å; D52-F54 VanDerWaalsContact C-N 3.35Å; D52-D55 WeakPolarHBondContact O-CB 3.41Å; D52-D55 PolarHBondContact O-N 2.56Å; D52-E56 PolarHBondContact O-N 3.31Å; D52-E56 VanDerWaalsContact O-N 3.09Å |
| 53 | D | 56.8 | Low | 47.5 | Very low | 103 Ų | 103 | 95.5 Ų | 95.5 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.8 | -30.2 | 175.5 | -67.7 | -34.2 | 0 | 0 | 0 | 112 | R49 S57 | R49-D53 VanDerWaalsContact O-CB 3.25Å; R49-D53 WeakPolarHBondContact O-CB 3.31Å; R49-D53 PolarHBondContact O-N 3.29Å; D53-S57 PolarHBondContact O-N 2.93Å; D53-S57 PolarHBondContact O-OG 3.39Å |
| 54 | F | 50.5 | Low | 46.9 | Very low | 90 Ų | 90 | 104.4 Ų | 104.4 | 40% | 0.395 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76 | -41.2 | 173.8 | -163.3 | -80.2 | 0 | 0 | 0 | 111.5 | F50 D52 E56 S57 E58 | F50-F54 WeakPolarHBondContact O-CB 3.32Å; F50-F54 PolarHBondContact O-N 2.77Å; F50-F54 VanDerWaalsContact O-N 3.08Å; D52-F54 VanDerWaalsContact C-N 3.35Å; F54-E56 VanDerWaalsContact C-N 3.34Å; F54-E56 PolarHBondContact O-N 3.27Å; F54-S57 WeakPolarHBondContact O-CB 3.33Å; F54-S57 PolarHBondContact O-N 3.47Å; F54-E58 HydrophobicContact CD1-CG 4.27Å; F54-E58 HydrophobicContact CE1-CG 3.91Å; F54-E58 PolarHBondContact O-N 3.29Å |
| 55 | D | 49.1 | Very low | 46.4 | Very low | 37 Ų | 37 | 108 Ų | 108 | 20% | 0.198 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -55.8 | -44.4 | 171.8 | -94.7 | -13.7 | 0 | 0 | 0 | 111.5 | T51 D52 S57 S298 S300 | T51-D55 WeakPolarHBondContact O-CB 3.03Å; T51-D55 PolarHBondContact O-N 2.86Å; T51-D55 VanDerWaalsContact O-N 3.07Å; D52-D55 WeakPolarHBondContact O-CB 3.41Å; D52-D55 PolarHBondContact O-N 2.56Å; D55-S57 VanDerWaalsContact C-N 3.28Å; D55-S57 PolarHBondContact O-N 3Å; D55-S298 WeakPolarHBondContact OD1-CB 3.29Å; D55-S298 PolarHBondContact OD1-OG 2.7Å; D55-S298 PolarHBondContact OD2-OG 2.9Å; D55-S300 VanDerWaalsContact OD2-CB 3.29Å; D55-S300 WeakPolarHBondContact OD2-CB 3.42Å; D55-S300 PolarHBondContact OD2-N 3.46Å; D55-S300 PolarHBondContact OD2-OG 2.99Å |
| 56 | E | 51.9 | Low | 45.9 | Very low | 153 Ų | 153 | 109.8 Ų | 109.8 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61 | -36.4 | 174.9 | -73.9 | -96.3 | 116.2 | 0 | 0 | 112.1 | D52 F54 S59 | D52-E56 PolarHBondContact O-N 3.31Å; D52-E56 VanDerWaalsContact O-N 3.09Å; F54-E56 VanDerWaalsContact C-N 3.34Å; F54-E56 PolarHBondContact O-N 3.27Å; E56-S59 WeakPolarHBondContact O-CB 3.35Å; E56-S59 PolarHBondContact O-OG 3.04Å |
| 57 | S | 50 | Low | 45.2 | Very low | 88 Ų | 88 | 115.6 Ų | 115.6 | 62% | 0.615 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -75.3 | -35.5 | -170.2 | -65 | 0 | 0 | 0 | 0 | 114.5 | D53 F54 D55 S59 | D53-S57 PolarHBondContact O-N 2.93Å; D53-S57 PolarHBondContact O-OG 3.39Å; F54-S57 WeakPolarHBondContact O-CB 3.33Å; F54-S57 PolarHBondContact O-N 3.47Å; D55-S57 VanDerWaalsContact C-N 3.28Å; D55-S57 PolarHBondContact O-N 3Å; S57-S59 VanDerWaalsContact C-N 3.32Å; S57-S59 PolarHBondContact O-N 3.03Å |
| 58 | E | 46.9 | Very low | 45 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.5 | -16.6 | -179.8 | -63.9 | -158.1 | 119.8 | 0 | 0 | 113.4 | F54 S60 | F54-E58 HydrophobicContact CD1-CG 4.27Å; F54-E58 HydrophobicContact CE1-CG 3.91Å; F54-E58 PolarHBondContact O-N 3.29Å; E58-S60 PolarHBondContact O-N 2.99Å |
| 59 | S | 48.3 | Very low | 44.5 | Very low | 93 Ų | 93 | 119.3 Ų | 119.3 | 65% | 0.65 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -15 | -175.9 | 71.7 | 0 | 0 | 0 | 0 | 116.2 | E56 S57 | E56-S59 WeakPolarHBondContact O-CB 3.35Å; E56-S59 PolarHBondContact O-OG 3.04Å; S57-S59 VanDerWaalsContact C-N 3.32Å; S57-S59 PolarHBondContact O-N 3.03Å |
| 60 | S | 41.8 | Very low | 44.1 | Very low | 93 Ų | 93 | 120 Ų | 120 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 8.5 | -156.9 | -71.5 | 0 | 0 | 0 | 0 | 116.2 | E58 | E58-S60 PolarHBondContact O-N 2.99Š|
| 61 | L | 34.7 | Very low | 43.8 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | trans | -112.7 | 120.3 | -177.5 | -65.2 | -179.2 | 0 | 0 | 0 | 113.5 | V63 | L61-V63 PolarHBondContact O-N 3.23Š| ||
| 62 | P | 35 | Very low | 43.2 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | trans | -78.6 | 120.7 | 179.7 | 30.4 | -33.4 | 0 | 0 | 0 | 112.1 | R64 | P62-R64 PolarHBondContact O-N 3.21Š| ||
| 63 | V | 33.9 | Very low | 42.3 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | trans | -58.2 | 126.9 | 173.8 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | L61 | L61-V63 PolarHBondContact O-N 3.23Š| ||
| 64 | R | 34.1 | Very low | 41.5 | Very low | 231 Ų | 231 | 130.4 Ų | 130.4 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | trans | -137.6 | 100.9 | 176.4 | -166.5 | 175.7 | -172.2 | 175.3 | 1.8 | 111.7 | P62 P66 | P62-R64 PolarHBondContact O-N 3.21Å; R64-P66 WeakPolarHBondContact O-CD 3.49Å | ||
| 65 | N | 34.8 | Very low | 40.9 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | -57.5 | 130.9 | 172 | -80 | -5.3 | 0 | 0 | 0 | 111.5 | ||||
| 66 | P | 35 | Very low | 40.3 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -106.4 | 116.1 | 165.5 | 34.1 | -22.7 | 0 | 0 | 0 | 110.8 | R64 | R64-P66 WeakPolarHBondContact O-CD 3.49Š| ||
| 67 | L | 34.4 | Very low | 39.3 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -154.8 | 132.9 | 168.6 | -140.8 | 163.6 | 0 | 0 | 0 | 107.7 | ||||
| 68 | A | 39.6 | Very low | 38.8 | Very low | 86 Ų | 86 | 138.4 Ų | 138.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 70 | 139.9 | -160.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 69 | E | 41.9 | Very low | 38.3 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | cis | -168.8 | -175.8 | -23.6 | -130.3 | 170 | -172.4 | 0 | 0 | 107.8 | ||||
| 70 | E | 47.1 | Very low | 37.8 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 73.2 | 138.2 | 169 | -50.5 | -158.2 | 127 | 0 | 0 | 119.1 | ||||
| 71 | D | 40.4 | Very low | 37.5 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -68.7 | 162.9 | 176 | -55.1 | -91.9 | 0 | 0 | 0 | 113 | ||||
| 72 | N | 41.8 | Very low | 37.7 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | -170.2 | 147 | 119.1 | -103 | -68.7 | 0 | 0 | 0 | 114.2 | |||||
| 73 | A | 40.9 | Very low | 37.7 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | trans | -61.9 | 156.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 74 | S | 39.5 | Very low | 37.9 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 88.3 | 169 | 138.1 | 80.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 75 | C | 37.8 | Very low | 38.2 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | 72.1 | 132.5 | -176.6 | -63 | 0 | 0 | 0 | 0 | 116 | ||||
| 76 | L | 36.3 | Very low | 38.4 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | cis | -149.7 | 168.3 | -4.9 | -108 | 167.5 | 0 | 0 | 0 | 110.1 | ||||
| 77 | S | 31.3 | Very low | 38.6 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -108.1 | -158.8 | -176.5 | -52.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 78 | H | 39 | Very low | 39 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | 79 | 135.5 | -179.5 | -40.3 | -72.5 | 0 | 0 | 0 | 113.5 | ||||
| 79 | S | 37.7 | Very low | 39 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | cis | -132.2 | 163.5 | 24.7 | -59.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 80 | S | 36.9 | Very low | 38.6 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -137.9 | 151.5 | -171.3 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 81 | S | 34.5 | Very low | 38 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | 48.7 | 128.6 | 152 | -54.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 82 | L | 39.3 | Very low | 37.8 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | -134.8 | 152.6 | 129.9 | -79.7 | -175.9 | 0 | 0 | 0 | 109.8 | |||||
| 83 | E | 36.1 | Very low | 37.4 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -120.6 | 176.8 | -167.8 | -65.3 | 174.6 | 66.6 | 0 | 0 | 112.8 | ||||
| 84 | S | 37.6 | Very low | 37.1 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 76.4 | 146.6 | 158.3 | -118.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 85 | S | 41.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | cis | -141.4 | 160 | 20.8 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 86 | S | 38.2 | Very low | 36.9 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -82.7 | 150.6 | 167.7 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 87 | E | 40.2 | Very low | 36.7 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | -176.1 | 119.4 | 135.4 | -99.6 | -170.3 | 135.8 | 0 | 0 | 107.8 | ||||
| 88 | K | 42.6 | Very low | 37.2 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 67% | 0.665 | 79% | 0.792 | S | S | * | * | 104.9 | 122.1 | 68.2 | -95.1 | -174 | -158.1 | 156.7 | 0 | 111.5 | |||||
| 89 | Q | 38.4 | Very low | 37.1 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | 58.3 | 127.9 | 143.3 | -60.3 | 175.4 | -27.2 | 0 | 0 | 120.2 | ||||
| 90 | G | 33.2 | Very low | 36.9 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 156.7 | 85.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 91 | L | 34.6 | Very low | 37 | Very low | 160 Ų | 160 | 138 Ų | 138 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 69.3 | 140.7 | 133.7 | -120.7 | 72 | 0 | 0 | 0 | 123 | ||||
| 92 | L | 37.9 | Very low | 37.1 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | 77.2 | 103.6 | 157.2 | -54.7 | -174.8 | 0 | 0 | 0 | 119.9 | ||||
| 93 | E | 31.7 | Very low | 37.4 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -64.2 | 158.3 | 153.4 | -57.6 | 141 | 115.7 | 0 | 0 | 111.6 | ||||
| 94 | C | 36 | Very low | 37.1 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -151.8 | 85.4 | 151.7 | -121.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 95 | E | 33.8 | Very low | 37.2 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 148 | 164 | -66.3 | -164.4 | 103.9 | 0 | 0 | 110.4 | ||||
| 96 | H | 38.7 | Very low | 37.3 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -147.4 | 85.1 | 156 | -104.9 | 66.7 | 0 | 0 | 0 | 109.9 | ||||
| 97 | N | 32.3 | Very low | 37.1 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -89.9 | 125.4 | 164.9 | -79.1 | -61.7 | 0 | 0 | 0 | 109 | ||||
| 98 | I | 40.9 | Very low | 37.1 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | -128.1 | 132.5 | 170.2 | -61.2 | -175.5 | 0 | 0 | 0 | 110.3 | ||||
| 99 | S | 37.6 | Very low | 37 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -56.7 | 155.8 | -172.5 | 179.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 100 | G | 32.7 | Very low | 37.4 | Very low | 62 Ų | 62 | 147.3 Ų | 147.3 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | -73.1 | -152.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 101 | P | 40.5 | Very low | 37.7 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | cis | -145.1 | -174.4 | 48.7 | 41.6 | -22.2 | 0 | 0 | 0 | 116.4 | ||||
| 102 | S | 34.9 | Very low | 38.8 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -70.2 | 159.5 | -174.3 | -34.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 103 | K | 45.6 | Very low | 39.3 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -137.2 | 136.3 | 142.7 | -74.1 | -169.8 | 178.4 | 177.3 | 0 | 111.1 | ||||
| 104 | A | 31.4 | Very low | 40.6 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -116.2 | -161.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 105 | V | 39.6 | Very low | 41.7 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 89.2 | 132.3 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 106 | V | 43 | Very low | 42.4 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | cis | -158.9 | 156.1 | -15.7 | 125.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 107 | N | 33.4 | Very low | 43.4 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -6.3 | 143.6 | 162.4 | -45.6 | -18.8 | 0 | 0 | 0 | 120.5 | ||||
| 108 | R | 40.8 | Very low | 43.8 | Very low | 256 Ų | 256 | 145 Ų | 145 | 97% | 0.966 | 79% | 0.79 | S | S | * | * | trans | -143.9 | 161.3 | 132.4 | -109.5 | 171.9 | -158.7 | -156.8 | 3.7 | 111.8 | ||||
| 109 | R | 39.3 | Very low | 44.1 | Very low | 247 Ų | 247 | 143.3 Ų | 143.3 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -112.1 | 137.3 | -166.3 | -60.6 | 172.3 | 177.5 | 159.5 | -5 | 113 | ||||
| 110 | K | 46.7 | Very low | 44.4 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -165.7 | 131 | 145.6 | -108.8 | -158.2 | 153.5 | -143.2 | 0 | 104 | D112 | K110-D112 IonicContact NZ-OD1 2.56Å; K110-D112 IonicContact NZ-OD2 3.51Å; K110-D112 PolarHBondContact NZ-OD2 2.91Å | ||
| 111 | K | 39.7 | Very low | 44.9 | Very low | 134 Ų | 134 | 150 Ų | 150 | 58% | 0.583 | 80% | 0.804 | S | S | * | * | cis | 48.9 | 103.8 | 39.6 | -172.9 | 170.7 | 178.5 | 92.8 | 0 | 112.3 | D113 | K111-D113 WeakPolarHBondContact CE-OD2 3.34Å; K111-D113 IonicContact NZ-OD1 2.65Å; K111-D113 PolarHBondContact NZ-OD1 3.14Å; K111-D113 IonicContact NZ-OD2 3.52Å; K111-D113 PolarHBondContact NZ-OD2 3.14Å | ||
| 112 | D | 58.3 | Low | 44.7 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 64% | 0.642 | 80% | 0.804 | S | S | * | * | -136 | 167.9 | 104.3 | -70.3 | -48.8 | 0 | 0 | 0 | 107.3 | K110 | K110-D112 IonicContact NZ-OD1 2.56Å; K110-D112 IonicContact NZ-OD2 3.51Å; K110-D112 PolarHBondContact NZ-OD2 2.91Å | |||
| 113 | D | 47.9 | Very low | 44.8 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 61% | 0.61 | 80% | 0.8 | S | S | * | * | trans | -110.6 | 155.7 | -176.4 | -25.7 | -82.5 | 0 | 0 | 0 | 109.5 | K111 | K111-D113 WeakPolarHBondContact CE-OD2 3.34Å; K111-D113 IonicContact NZ-OD1 2.65Å; K111-D113 PolarHBondContact NZ-OD1 3.14Å; K111-D113 IonicContact NZ-OD2 3.52Å; K111-D113 PolarHBondContact NZ-OD2 3.14Å | ||
| 114 | D | 60.6 | Low | 44.5 | Very low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -169.5 | 160.1 | 159.4 | -91.1 | -33.5 | 0 | 0 | 0 | 109.2 | ||||
| 115 | D | 59 | Low | 44.8 | Very low | 161 Ų | 161 | 144 Ų | 144 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -91.4 | 155.6 | -152.8 | -63.1 | -73.5 | 0 | 0 | 0 | 118.5 | ||||
| 116 | D | 48.1 | Very low | 44.6 | Very low | 171 Ų | 171 | 143 Ų | 143 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | -80.8 | 128.7 | 165.6 | -101 | -55.4 | 0 | 0 | 0 | 110.7 | ||||
| 117 | D | 59.2 | Low | 44.5 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -139.3 | 116.7 | 163.2 | -139.6 | -14.8 | 0 | 0 | 0 | 110.4 | ||||
| 118 | G | 40.7 | Very low | 44.6 | Very low | 76 Ų | 76 | 141.4 Ų | 141.4 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -99.7 | 133.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 119 | S | 47.9 | Very low | 44.6 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -134.1 | 138.4 | 162.3 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 120 | S | 42.7 | Very low | 44.4 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -115 | 113.6 | -173.7 | 151.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 121 | F | 44 | Very low | 44 | Very low | 205 Ų | 205 | 130.8 Ų | 130.8 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | trans | -135.1 | 106.7 | 162.1 | -81.7 | -76.3 | 0 | 0 | 0 | 110.6 | ||||
| 122 | G | 35.3 | Very low | 44.1 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -83 | 129.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 123 | G | 38.7 | Very low | 43.3 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -141.6 | 106.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 124 | S | 37.9 | Very low | 42.9 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -87.2 | 110.9 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 125 | T | 39.1 | Very low | 41.8 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -100.6 | 110.3 | 170.7 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 126 | S | 35.3 | Very low | 40.9 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -85.5 | 115.4 | 163.5 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 127 | C | 39.5 | Very low | 40.5 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 68% | 0.676 | 81% | 0.811 | S | S | * | * | trans | -100.1 | 132.4 | 166.2 | 45.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 128 | S | 35.4 | Very low | 39.3 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -106.2 | 115.9 | 168.9 | -57.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 129 | E | 40.6 | Very low | 39.5 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -121.8 | 98.2 | 178.9 | -78.2 | -179.9 | 88.1 | 0 | 0 | 110.2 | ||||
| 130 | D | 36.2 | Very low | 39.2 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -154.8 | 82.5 | 168.2 | -134.5 | -18.5 | 0 | 0 | 0 | 110.7 | ||||
| 131 | S | 37.1 | Very low | 38.9 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -163 | 80.2 | 172.7 | -166 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 132 | F | 42.5 | Very low | 39.2 | Very low | 178 Ų | 178 | 127 Ų | 127 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | -145.1 | 74.7 | 158.9 | 57.4 | -87.6 | 0 | 0 | 0 | 112.5 | L134 | F132-L134 PolarHBondContact O-N 3.11Š| ||
| 133 | V | 42.5 | Very low | 39.7 | Very low | 131 Ų | 131 | 130 Ų | 130 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -75.7 | 87.6 | 173.1 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | T135 | V133-T135 HydrophobicContact CG1-CG2 4.25Å; V133-T135 PolarHBondContact O-N 3.45Å | ||
| 134 | L | 39.5 | Very low | 39.8 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -79.1 | 93.3 | 172 | -82.3 | 171.2 | 0 | 0 | 0 | 111.3 | F132 N136 | F132-L134 PolarHBondContact O-N 3.11Å; L134-N136 PolarHBondContact O-N 3.43Å | ||
| 135 | T | 37.5 | Very low | 39.9 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | trans | -70.7 | 87.9 | 173.3 | 38.3 | 0 | 0 | 0 | 0 | 111.9 | V133 C137 | V133-T135 HydrophobicContact CG1-CG2 4.25Å; V133-T135 PolarHBondContact O-N 3.45Å; T135-C137 PolarHBondContact O-N 3.08Å | ||
| 136 | N | 39.9 | Very low | 40 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -84.6 | 98.5 | 179.2 | -149 | 23.1 | 0 | 0 | 0 | 111.4 | L134 S138 | L134-N136 PolarHBondContact O-N 3.43Å; N136-S138 PolarHBondContact O-N 3.39Å | ||
| 137 | C | 39.1 | Very low | 40.3 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -70.7 | 120 | -175.7 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | T135 S139 | T135-C137 PolarHBondContact O-N 3.08Å; C137-S139 PolarHBondContact O-N 3.01Å | ||
| 138 | S | 34.8 | Very low | 40.3 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -72.2 | 106.9 | 173.5 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | N136 | N136-S138 PolarHBondContact O-N 3.39Š| ||
| 139 | S | 43.3 | Very low | 40.2 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -115.5 | 120.2 | 176.3 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | C137 | C137-S139 PolarHBondContact O-N 3.01Š| ||
| 140 | S | 42.6 | Very low | 40.1 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -23.8 | 129.2 | 172.3 | 53.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 141 | S | 35.5 | Very low | 40.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -36.3 | 126.8 | 151.7 | 159.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 142 | V | 51.3 | Low | 41.4 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -147 | 152.4 | 146.6 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 143 | D | 45.2 | Very low | 41.8 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -61.3 | 152.4 | -168.9 | -56.9 | -92.6 | 0 | 0 | 0 | 118.8 | ||||
| 144 | P | 41.1 | Very low | 42.2 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -97.5 | 109 | 173.7 | 35.2 | -30.6 | 0 | 0 | 0 | 113.8 | ||||
| 145 | K | 41 | Very low | 42.8 | Very low | 213 Ų | 213 | 130.4 Ų | 130.4 | 93% | 0.926 | 76% | 0.761 | S | S | * | * | trans | -165.2 | 72.7 | 167 | -119.2 | 164.4 | -170.5 | 170.4 | 0 | 116.8 | ||||
| 146 | S | 39.5 | Very low | 43.6 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -166.7 | 125.8 | 152.6 | -169.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 147 | P | 42.2 | Very low | 44.3 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | trans | -104.6 | 88.1 | 178.1 | 36.6 | -29.2 | 0 | 0 | 0 | 112.6 | ||||
| 148 | Q | 40.6 | Very low | 45.4 | Very low | 185 Ų | 185 | 126.5 Ų | 126.5 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -153.1 | 114.6 | 172.5 | -145.5 | 173 | 20.5 | 0 | 0 | 113.4 | ||||
| 149 | C | 33.5 | Very low | 47.1 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 71% | 0.709 | 71% | 0.713 | S | S | * | * | trans | 145.6 | 41.2 | 155.9 | -156.8 | 0 | 0 | 0 | 0 | 113.2 | N151 | C149-N151 PolarHBondContact O-N 2.9Š| ||
| 150 | C | 37.6 | Very low | 48.8 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 106.7 | 167.3 | 46 | 0 | 0 | 0 | 0 | 110.1 | ||
| 151 | N | 52 | Low | 50.5 | Low | 143 Ų | 143 | 124.1 Ų | 124.1 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.7 | -17.7 | 165.2 | -99.8 | -24.9 | 0 | 0 | 0 | 114 | C149 | C149-N151 PolarHBondContact O-N 2.9Š|
| 152 | K | 48.8 | Very low | 52.6 | Low | 170 Ų | 170 | 123.9 Ų | 123.9 | 74% | 0.739 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -88.7 | -13.5 | -179.2 | -66.7 | -177.4 | 177.4 | -179.5 | 0 | 114.7 | I154 | K152-I154 VanDerWaalsContact C-N 3.33Å; K152-I154 PolarHBondContact O-N 3.49Å |
| 153 | T | 50.9 | Low | 53.9 | Low | 87 Ų | 87 | 120.9 Ų | 120.9 | 53% | 0.534 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -74.9 | -16.3 | -168.7 | -21 | 0 | 0 | 0 | 0 | 114.7 | A157 | T153-A157 PolarHBondContact O-N 3.45Å |
| 154 | I | 50.6 | Low | 55.8 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 60% | 0.595 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.8 | -32.2 | -170 | -62.1 | 175.9 | 0 | 0 | 0 | 112.5 | K152 | K152-I154 VanDerWaalsContact C-N 3.33Å; K152-I154 PolarHBondContact O-N 3.49Å |
| 155 | E | 52.2 | Low | 57.7 | Low | 118 Ų | 118 | 115.7 Ų | 115.7 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.3 | -49.2 | 174.6 | -64.7 | -62.8 | 88.9 | 0 | 0 | 110.7 | A157 K158 D159 | E155-A157 PolarHBondContact O-N 3.41Å; E155-A157 VanDerWaalsContact O-N 3.11Å; E155-K158 WeakPolarHBondContact O-CB 3.47Å; E155-K158 PolarHBondContact O-N 3.3Å; E155-K158 WeakPolarHBondContact OE1-CE 3.39Å; E155-K158 IonicContact OE1-NZ 2.64Å; E155-K158 PolarHBondContact OE1-NZ 3.44Å; E155-K158 IonicContact OE2-NZ 3.94Å; E155-D159 PolarHBondContact O-N 3.36Å |
| 156 | Q | 53.7 | Low | 59.6 | Low | 131 Ų | 131 | 109.2 Ų | 109.2 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.3 | -29.1 | 180 | -63.9 | -179.4 | -48.6 | 0 | 0 | 113.3 | K158 L160 | Q156-K158 VanDerWaalsContact C-N 3.32Å; Q156-K158 PolarHBondContact O-N 2.94Å; Q156-L160 PolarHBondContact O-N 2.77Å; Q156-L160 VanDerWaalsContact O-N 3.1Å |
| 157 | A | 55.2 | Low | 61.6 | Low | 59 Ų | 59 | 107.6 Ų | 107.6 | 49% | 0.488 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.9 | -28.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T153 E155 S161 | T153-A157 PolarHBondContact O-N 3.45Å; E155-A157 PolarHBondContact O-N 3.41Å; E155-A157 VanDerWaalsContact O-N 3.11Å; A157-S161 WeakPolarHBondContact O-CB 3.5Å; A157-S161 PolarHBondContact O-N 2.92Å; A157-S161 VanDerWaalsContact O-N 3.13Å |
| 158 | K | 63.1 | Low | 63.4 | Low | 117 Ų | 117 | 104.9 Ų | 104.9 | 51% | 0.509 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.2 | -46 | 175.4 | -60.6 | 169.4 | -176.2 | 168.6 | 0 | 110.6 | E155 Q156 L160 S161 Q162 | E155-K158 WeakPolarHBondContact O-CB 3.47Å; E155-K158 PolarHBondContact O-N 3.3Å; E155-K158 WeakPolarHBondContact OE1-CE 3.39Å; E155-K158 IonicContact OE1-NZ 2.64Å; E155-K158 PolarHBondContact OE1-NZ 3.44Å; E155-K158 IonicContact OE2-NZ 3.94Å; Q156-K158 VanDerWaalsContact C-N 3.32Å; Q156-K158 PolarHBondContact O-N 2.94Å; K158-L160 VanDerWaalsContact C-N 3.32Å; K158-L160 PolarHBondContact O-N 2.89Å; K158-S161 WeakPolarHBondContact O-CB 3.5Å; K158-S161 PolarHBondContact O-N 3.04Å; K158-S161 VanDerWaalsContact O-N 3.14Å; K158-Q162 PolarHBondContact O-N 3.18Å |
| 159 | D | 69.9 | Low | 65.2 | Low | 115 Ų | 115 | 99.2 Ų | 99.2 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.9 | -42.2 | 178.7 | -59.6 | -28.6 | 0 | 0 | 0 | 111.1 | E155 Q162 C163 | E155-D159 PolarHBondContact O-N 3.36Å; D159-Q162 PolarHBondContact O-N 2.86Å; D159-C163 VanDerWaalsContact O-CB 3.25Å; D159-C163 WeakPolarHBondContact O-CB 3.41Å; D159-C163 PolarHBondContact O-N 3.16Å |
| 160 | L | 77.8 | Confident | 67.3 | Low | 110 Ų | 110 | 99.9 Ų | 99.9 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.4 | -41.5 | 174.3 | -174.9 | 64.1 | 0 | 0 | 0 | 112.2 | Q156 K158 C163 L164 | Q156-L160 PolarHBondContact O-N 2.77Å; Q156-L160 VanDerWaalsContact O-N 3.1Å; K158-L160 VanDerWaalsContact C-N 3.32Å; K158-L160 PolarHBondContact O-N 2.89Å; L160-C163 PolarHBondContact O-N 3.21Å; L160-L164 HydrophobicContact CG-CD1 4.2Å; L160-L164 WeakPolarHBondContact O-CB 3.19Å; L160-L164 VanDerWaalsContact O-CG 3.31Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.3Å |
| 161 | S | 78.9 | Confident | 69.1 | Low | 78 Ų | 78 | 99.8 Ų | 99.8 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 176.6 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | A157 K158 L164 S165 | A157-S161 WeakPolarHBondContact O-CB 3.5Å; A157-S161 PolarHBondContact O-N 2.92Å; A157-S161 VanDerWaalsContact O-N 3.13Å; K158-S161 WeakPolarHBondContact O-CB 3.5Å; K158-S161 PolarHBondContact O-N 3.04Å; K158-S161 VanDerWaalsContact O-N 3.14Å; S161-L164 PolarHBondContact O-N 2.68Å; S161-S165 WeakPolarHBondContact O-CB 3.46Å; S161-S165 PolarHBondContact O-N 3.07Å |
| 162 | Q | 80.1 | Confident | 69.9 | Low | 112 Ų | 112 | 101.3 Ų | 101.3 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 175.4 | -171.9 | 61.7 | 62 | 0 | 0 | 111.7 | K158 D159 S165 N166 | K158-Q162 PolarHBondContact O-N 3.18Å; D159-Q162 PolarHBondContact O-N 2.86Å; Q162-S165 WeakPolarHBondContact O-CB 3.28Å; Q162-S165 PolarHBondContact O-N 3.38Å; Q162-N166 PolarHBondContact NE2-OD1 3.48Å; Q162-N166 VanDerWaalsContact O-CG 3.32Å; Q162-N166 PolarHBondContact O-N 2.81Å; Q162-N166 PolarHBondContact O-OD1 2.85Å; Q162-N166 VanDerWaalsContact O-OD1 3.07Å |
| 163 | C | 78.8 | Confident | 70.9 | Confident | 64 Ų | 64 | 97.6 Ų | 97.6 | 43% | 0.432 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 175 | -175 | 0 | 0 | 0 | 0 | 111.6 | D159 L160 S165 N166 I167 | D159-C163 VanDerWaalsContact O-CB 3.25Å; D159-C163 WeakPolarHBondContact O-CB 3.41Å; D159-C163 PolarHBondContact O-N 3.16Å; L160-C163 PolarHBondContact O-N 3.21Å; C163-S165 VanDerWaalsContact C-N 3.32Å; C163-S165 PolarHBondContact O-N 3.48Å; C163-N166 PolarHBondContact O-N 2.94Å; C163-I167 VanDerWaalsContact O-CG1 3.32Å; C163-I167 WeakPolarHBondContact O-CG1 3.43Å; C163-I167 PolarHBondContact O-N 3.3Å |
| 164 | L | 84 | Confident | 71.6 | Confident | 95 Ų | 95 | 98.6 Ų | 98.6 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 174.6 | -70.5 | 170.2 | 0 | 0 | 0 | 112.2 | L160 S161 I167 C168 | L160-L164 HydrophobicContact CG-CD1 4.2Å; L160-L164 WeakPolarHBondContact O-CB 3.19Å; L160-L164 VanDerWaalsContact O-CG 3.31Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.3Å; S161-L164 PolarHBondContact O-N 2.68Å; L164-I167 PolarHBondContact O-N 2.85Å; L164-C168 WeakPolarHBondContact O-CB 3.39Å; L164-C168 PolarHBondContact O-N 2.77Å; L164-C168 PolarHBondContact O-SG 3.38Å |
| 165 | S | 81.5 | Confident | 72 | Confident | 61 Ų | 61 | 99.4 Ų | 99.4 | 43% | 0.427 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.5 | -168.8 | 0 | 0 | 0 | 0 | 112 | S161 Q162 C163 S169 | S161-S165 WeakPolarHBondContact O-CB 3.46Å; S161-S165 PolarHBondContact O-N 3.07Å; Q162-S165 WeakPolarHBondContact O-CB 3.28Å; Q162-S165 PolarHBondContact O-N 3.38Å; C163-S165 VanDerWaalsContact C-N 3.32Å; C163-S165 PolarHBondContact O-N 3.48Å; S165-S169 WeakPolarHBondContact O-CB 3.4Å; S165-S169 PolarHBondContact O-N 3.32Å; S165-S169 PolarHBondContact O-OG 2.99Å |
| 166 | N | 80.7 | Confident | 72.2 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 42% | 0.417 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.2 | -48.6 | 175.1 | -68.5 | 14.7 | 0 | 0 | 0 | 111.1 | Q162 C163 C168 S169 E170 | Q162-N166 PolarHBondContact NE2-OD1 3.48Å; Q162-N166 VanDerWaalsContact O-CG 3.32Å; Q162-N166 PolarHBondContact O-N 2.81Å; Q162-N166 PolarHBondContact O-OD1 2.85Å; Q162-N166 VanDerWaalsContact O-OD1 3.07Å; C163-N166 PolarHBondContact O-N 2.94Å; N166-C168 PolarHBondContact O-N 3.03Å; N166-S169 CarbonylContact O-C 3.58Å; N166-S169 WeakPolarHBondContact O-CA 3.38Å; N166-S169 WeakPolarHBondContact O-CB 3.37Å; N166-S169 PolarHBondContact O-N 3.33Å; N166-E170 PolarHBondContact O-N 3.35Å |
| 167 | I | 82.1 | Confident | 72.2 | Confident | 73 Ų | 73 | 99 Ų | 99 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.8 | -43.5 | 178.4 | -67.8 | 163.8 | 0 | 0 | 0 | 111.2 | C163 L164 S169 E170 L171 | C163-I167 VanDerWaalsContact O-CG1 3.32Å; C163-I167 WeakPolarHBondContact O-CG1 3.43Å; C163-I167 PolarHBondContact O-N 3.3Å; L164-I167 PolarHBondContact O-N 2.85Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.88Å; I167-E170 PolarHBondContact O-N 3.36Å; I167-L171 HydrophobicContact CG2-CD1 3.86Å; I167-L171 HydrophobicContact CG2-CG 4.33Å; I167-L171 WeakPolarHBondContact O-CB 3.49Å; I167-L171 VanDerWaalsContact O-CG 3.27Å; I167-L171 WeakPolarHBondContact O-CG 3.04Å; I167-L171 PolarHBondContact O-N 3.39Å |
| 168 | C | 80.1 | Confident | 72.6 | Confident | 72 Ų | 72 | 103.7 Ų | 103.7 | 49% | 0.486 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -31.7 | 174.4 | -73.2 | 0 | 0 | 0 | 0 | 113 | L164 N166 Q172 | L164-C168 WeakPolarHBondContact O-CB 3.39Å; L164-C168 PolarHBondContact O-N 2.77Å; L164-C168 PolarHBondContact O-SG 3.38Å; N166-C168 PolarHBondContact O-N 3.03Å; C168-Q172 WeakPolarHBondContact O-CG 3.39Å; C168-Q172 PolarHBondContact O-N 3.49Å |
| 169 | S | 77.2 | Confident | 72.8 | Confident | 67 Ų | 67 | 102.9 Ų | 102.9 | 47% | 0.469 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.8 | -41.3 | 175.3 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | S165 N166 I167 Q172 S173 | S165-S169 WeakPolarHBondContact O-CB 3.4Å; S165-S169 PolarHBondContact O-N 3.32Å; S165-S169 PolarHBondContact O-OG 2.99Å; N166-S169 CarbonylContact O-C 3.58Å; N166-S169 WeakPolarHBondContact O-CA 3.38Å; N166-S169 WeakPolarHBondContact O-CB 3.37Å; N166-S169 PolarHBondContact O-N 3.33Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.88Å; S169-Q172 PolarHBondContact O-N 2.79Å; S169-S173 PolarHBondContact O-N 3.37Å |
| 170 | E | 78.2 | Confident | 72.8 | Confident | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.1 | -45.9 | 175.6 | -74.1 | 172.2 | -171.9 | 0 | 0 | 111 | N166 I167 Q172 S173 L174 | N166-E170 PolarHBondContact O-N 3.35Å; I167-E170 PolarHBondContact O-N 3.36Å; E170-Q172 PolarHBondContact O-N 3.38Å; E170-S173 WeakPolarHBondContact CA-OG 3.49Å; E170-S173 CarbonylContact O-C 3.54Å; E170-S173 WeakPolarHBondContact O-CA 3.36Å; E170-S173 PolarHBondContact O-N 2.94Å; E170-S173 PolarHBondContact O-OG 3.37Å; E170-L174 WeakPolarHBondContact O-CG 3.39Å; E170-L174 PolarHBondContact O-N 2.93Å |
| 171 | L | 75.1 | Confident | 72.5 | Confident | 111 Ų | 111 | 102.4 Ų | 102.4 | 58% | 0.581 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.3 | -24.4 | 174.1 | -72.4 | 170.3 | 0 | 0 | 0 | 114 | I167 L174 | I167-L171 HydrophobicContact CG2-CD1 3.86Å; I167-L171 HydrophobicContact CG2-CG 4.33Å; I167-L171 WeakPolarHBondContact O-CB 3.49Å; I167-L171 VanDerWaalsContact O-CG 3.27Å; I167-L171 WeakPolarHBondContact O-CG 3.04Å; I167-L171 PolarHBondContact O-N 3.39Å; L171-L174 HydrophobicContact CD2-CD1 4.3Å |
| 172 | Q | 68.4 | Low | 72.6 | Confident | 175 Ų | 175 | 102.9 Ų | 102.9 | 82% | 0.818 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -89.3 | -14.6 | 172.4 | -74.1 | -179 | -4.9 | 0 | 0 | 113.6 | C168 S169 E170 | C168-Q172 WeakPolarHBondContact O-CG 3.39Å; C168-Q172 PolarHBondContact O-N 3.49Å; S169-Q172 PolarHBondContact O-N 2.79Å; E170-Q172 PolarHBondContact O-N 3.38Å |
| 173 | S | 70.4 | Confident | 72.9 | Confident | 92 Ų | 92 | 105 Ų | 105 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -94.2 | -19.3 | 173.6 | 74.1 | 0 | 0 | 0 | 0 | 113.6 | S169 E170 D175 | S169-S173 PolarHBondContact O-N 3.37Å; E170-S173 WeakPolarHBondContact CA-OG 3.49Å; E170-S173 CarbonylContact O-C 3.54Å; E170-S173 WeakPolarHBondContact O-CA 3.36Å; E170-S173 PolarHBondContact O-N 2.94Å; E170-S173 PolarHBondContact O-OG 3.37Å; S173-D175 PolarHBondContact O-N 3.39Å |
| 174 | L | 65.9 | Low | 73.3 | Confident | 108 Ų | 108 | 108 Ų | 108 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -68.6 | 112.2 | 171.5 | -78.6 | 169.5 | 0 | 0 | 0 | 109.3 | E170 L171 S176 | E170-L174 WeakPolarHBondContact O-CG 3.39Å; E170-L174 PolarHBondContact O-N 2.93Å; L171-L174 HydrophobicContact CD2-CD1 4.3Å; L174-S176 PolarHBondContact O-N 2.9Å; L174-S176 PolarHBondContact O-OG 3.28Å |
| 175 | D | 58.1 | Low | 73.4 | Confident | 134 Ų | 134 | 109.5 Ų | 109.5 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | trans | -70.8 | 65.5 | 178.7 | -164.4 | 7.9 | 0 | 0 | 0 | 111.3 | S173 L177 | S173-D175 PolarHBondContact O-N 3.39Å; D175-L177 PolarHBondContact O-N 2.9Å; D175-L177 VanDerWaalsContact OD1-CD1 3.3Å; D175-L177 WeakPolarHBondContact OD1-CD1 3.38Å; D175-L177 VanDerWaalsContact OD1-CG 3.25Å; D175-L177 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 176 | S | 57.7 | Low | 73.7 | Confident | 102 Ų | 102 | 109.3 Ų | 109.3 | 71% | 0.713 | 59% | 0.59 | S | S | * | * | trans | -80.3 | 37.1 | -179.7 | 53.3 | 0 | 0 | 0 | 0 | 112 | L174 M178 | L174-S176 PolarHBondContact O-N 2.9Å; L174-S176 PolarHBondContact O-OG 3.28Å; S176-M178 PolarHBondContact O-N 3.46Å | ||
| 177 | L | 53.3 | Low | 74.2 | Confident | 139 Ų | 139 | 111.9 Ų | 111.9 | 73% | 0.728 | 60% | 0.599 | S | S | * | * | trans | -70.7 | 73.1 | 168.9 | -69.3 | -179.1 | 0 | 0 | 0 | 110 | D175 | D175-L177 PolarHBondContact O-N 2.9Å; D175-L177 VanDerWaalsContact OD1-CD1 3.3Å; D175-L177 WeakPolarHBondContact OD1-CD1 3.38Å; D175-L177 VanDerWaalsContact OD1-CG 3.25Å; D175-L177 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 178 | M | 63.8 | Low | 74.6 | Confident | 156 Ų | 156 | 114 Ų | 114 | 77% | 0.768 | 61% | 0.606 | S | S | * | * | trans | -46.6 | 128 | 161.1 | -173.6 | -176 | 76.6 | 0 | 0 | 107.7 | S176 V180 | S176-M178 PolarHBondContact O-N 3.46Å; M178-V180 PolarHBondContact O-N 2.89Å | ||
| 179 | P | 67.7 | Low | 75.1 | Confident | 101 Ų | 101 | 114.4 Ų | 114.4 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | trans | -50.5 | 132.1 | -171.8 | -30.8 | 35.5 | 0 | 0 | 0 | 111.8 | V181 | P179-V181 VanDerWaalsContact C-N 3.26Å; P179-V181 PolarHBondContact O-N 3.19Å | ||
| 180 | V | 68.1 | Low | 75.6 | Confident | 147 Ų | 147 | 119.6 Ų | 119.6 | 89% | 0.891 | 61% | 0.613 | S | S | * | * | trans | -70.4 | 88 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | M178 D182 | M178-V180 PolarHBondContact O-N 2.89Å; V180-D182 PolarHBondContact O-N 3.43Å; V180-D182 VanDerWaalsContact O-N 3.08Å | ||
| 181 | V | 73.2 | Confident | 76.2 | Confident | 68 Ų | 68 | 117.8 Ų | 117.8 | 41% | 0.412 | 61% | 0.61 | S | S | . | * | trans | -67.3 | 106.5 | 177.2 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | P179 F183 L186 | P179-V181 VanDerWaalsContact C-N 3.26Å; P179-V181 PolarHBondContact O-N 3.19Å; V181-F183 VanDerWaalsContact C-N 3.3Å; V181-F183 HydrophobicContact CB-CE1 4.44Å; V181-F183 HydrophobicContact CB-CE2 4.49Å; V181-F183 HydrophobicContact CB-CZ 4.29Å; V181-F183 HydrophobicContact CG1-CD1 4.05Å; V181-F183 HydrophobicContact CG1-CE1 4.04Å; V181-F183 HydrophobicContact CG1-CG 4.4Å; V181-F183 HydrophobicContact CG1-CZ 4.38Å; V181-F183 VanDerWaalsContact O-CD2 3.23Å; V181-F183 WeakPolarHBondContact O-CD2 3.4Å; V181-F183 PolarHBondContact O-N 3.11Å; V181-L186 HydrophobicContact CG1-CD2 3.95Å | ||
| 182 | D | 80.5 | Confident | 77 | Confident | 87 Ų | 87 | 118.3 Ų | 118.3 | 47% | 0.465 | 61% | 0.607 | S | S | . | * | trans | -66.6 | 93.9 | 163.7 | 178.9 | -6.6 | 0 | 0 | 0 | 108.5 | V180 E184 K185 L186 | V180-D182 PolarHBondContact O-N 3.43Å; V180-D182 VanDerWaalsContact O-N 3.08Å; D182-E184 PolarHBondContact O-N 3.4Å; D182-E184 WeakPolarHBondContact OD1-CA 3.37Å; D182-E184 WeakPolarHBondContact OD1-CB 3.38Å; D182-E184 PolarHBondContact OD1-N 2.93Å; D182-K185 HydrophobicContact CB-CB 3.98Å; D182-K185 PolarHBondContact O-N 3.22Å; D182-K185 PolarHBondContact OD1-N 2.72Å; D182-K185 WeakPolarHBondContact OD2-CB 3.23Å; D182-L186 PolarHBondContact O-N 3.47Å | ||
| 183 | F | 87 | Confident | 78 | Confident | 158 Ų | 158 | 112.9 Ų | 112.9 | 69% | 0.693 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.6 | -29.9 | 178.3 | -66.6 | -77 | 0 | 0 | 0 | 112.4 | V181 L186 E187 | V181-F183 VanDerWaalsContact C-N 3.3Å; V181-F183 HydrophobicContact CB-CE1 4.44Å; V181-F183 HydrophobicContact CB-CE2 4.49Å; V181-F183 HydrophobicContact CB-CZ 4.29Å; V181-F183 HydrophobicContact CG1-CD1 4.05Å; V181-F183 HydrophobicContact CG1-CE1 4.04Å; V181-F183 HydrophobicContact CG1-CG 4.4Å; V181-F183 HydrophobicContact CG1-CZ 4.38Å; V181-F183 VanDerWaalsContact O-CD2 3.23Å; V181-F183 WeakPolarHBondContact O-CD2 3.4Å; V181-F183 PolarHBondContact O-N 3.11Å; F183-L186 PolarHBondContact O-N 2.68Å; F183-E187 WeakPolarHBondContact O-CB 3.45Å; F183-E187 PolarHBondContact O-N 3.36Å |
| 184 | E | 86.5 | Confident | 79 | Confident | 125 Ų | 125 | 111.4 Ų | 111.4 | 58% | 0.584 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.3 | -38.7 | 176.5 | -56.1 | -169 | -173.4 | 0 | 0 | 111.5 | D182 K188 | D182-E184 PolarHBondContact O-N 3.4Å; D182-E184 WeakPolarHBondContact OD1-CA 3.37Å; D182-E184 WeakPolarHBondContact OD1-CB 3.38Å; D182-E184 PolarHBondContact OD1-N 2.93Å; E184-K188 VanDerWaalsContact CB-NZ 3.29Å; E184-K188 WeakPolarHBondContact O-CB 3.41Å; E184-K188 WeakPolarHBondContact O-CD 3.44Å; E184-K188 WeakPolarHBondContact O-CE 3.35Å; E184-K188 WeakPolarHBondContact O-CG 3.19Å; E184-K188 PolarHBondContact O-N 2.87Å; E184-K188 IonicContact OE2-NZ 3.36Å; E184-K188 PolarHBondContact OE2-NZ 3.14Å |
| 185 | K | 85.2 | Confident | 80.2 | Confident | 127 Ų | 127 | 112.4 Ų | 112.4 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.9 | -45 | 173.4 | -175.1 | -177.4 | 177 | -174.1 | 0 | 110.8 | D182 E187 K188 D189 | D182-K185 HydrophobicContact CB-CB 3.98Å; D182-K185 PolarHBondContact O-N 3.22Å; D182-K185 PolarHBondContact OD1-N 2.72Å; D182-K185 WeakPolarHBondContact OD2-CB 3.23Å; K185-E187 VanDerWaalsContact C-N 3.34Å; K185-E187 PolarHBondContact O-N 2.69Å; K185-K188 PolarHBondContact O-N 2.89Å; K185-D189 PolarHBondContact O-N 3.45Å |
| 186 | L | 87.6 | Confident | 81.8 | Confident | 58 Ų | 58 | 109.5 Ų | 109.5 | 30% | 0.304 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.7 | -42.5 | 178.3 | -173.3 | 62.4 | 0 | 0 | 0 | 111.9 | V181 D182 F183 D189 W190 | V181-L186 HydrophobicContact CG1-CD2 3.95Å; D182-L186 PolarHBondContact O-N 3.47Å; F183-L186 PolarHBondContact O-N 2.68Å; L186-D189 PolarHBondContact O-N 3.33Å; L186-W190 HydrophobicContact CD1-CZ2 3.99Å; L186-W190 HydrophobicContact CD2-CH2 4.11Å; L186-W190 HydrophobicContact CD2-CZ2 3.75Å; L186-W190 HydrophobicContact CG-CD2 4.26Å; L186-W190 HydrophobicContact CG-CH2 4.37Å; L186-W190 HydrophobicContact CG-CZ2 3.78Å; L186-W190 WeakPolarHBondContact O-CB 3.25Å; L186-W190 VanDerWaalsContact O-CG 3.26Å; L186-W190 PolarHBondContact O-N 2.98Å |
| 187 | E | 91.8 | Very high | 83.2 | Confident | 131 Ų | 131 | 113.4 Ų | 113.4 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -44.2 | 174.4 | -175.1 | 173.7 | -143.2 | 0 | 0 | 111.9 | F183 K185 D189 W190 V191 | F183-E187 WeakPolarHBondContact O-CB 3.45Å; F183-E187 PolarHBondContact O-N 3.36Å; K185-E187 VanDerWaalsContact C-N 3.34Å; K185-E187 PolarHBondContact O-N 2.69Å; E187-D189 PolarHBondContact O-N 3.29Å; E187-W190 PolarHBondContact O-N 3.24Å; E187-V191 WeakPolarHBondContact O-CG2 3.4Å; E187-V191 PolarHBondContact O-N 3.48Å |
| 188 | K | 91.1 | Very high | 85 | Confident | 118 Ų | 118 | 110.8 Ų | 110.8 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.9 | -43.6 | 175.8 | -70.2 | 156.5 | -159.7 | 158 | 0 | 111.6 | E184 K185 K192 | E184-K188 VanDerWaalsContact CB-NZ 3.29Å; E184-K188 WeakPolarHBondContact O-CB 3.41Å; E184-K188 WeakPolarHBondContact O-CD 3.44Å; E184-K188 WeakPolarHBondContact O-CE 3.35Å; E184-K188 WeakPolarHBondContact O-CG 3.19Å; E184-K188 PolarHBondContact O-N 2.87Å; E184-K188 IonicContact OE2-NZ 3.36Å; E184-K188 PolarHBondContact OE2-NZ 3.14Å; K185-K188 PolarHBondContact O-N 2.89Å; K188-K192 WeakPolarHBondContact O-CB 3.05Å; K188-K192 PolarHBondContact O-N 3.4Å |
| 189 | D | 90 | Very high | 86 | Confident | 81 Ų | 81 | 107 Ų | 107 | 43% | 0.433 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 177.3 | -77.3 | -31 | 0 | 0 | 0 | 112.1 | K185 L186 E187 A193 | K185-D189 PolarHBondContact O-N 3.45Å; L186-D189 PolarHBondContact O-N 3.33Å; E187-D189 PolarHBondContact O-N 3.29Å; D189-A193 VanDerWaalsContact O-CB 3.31Å; D189-A193 WeakPolarHBondContact O-CB 3.23Å; D189-A193 PolarHBondContact O-N 3.01Å |
| 190 | W | 89.1 | Confident | 86.9 | Confident | 176 Ų | 176 | 105.7 Ų | 105.7 | 67% | 0.667 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.5 | -42.4 | 174.3 | -71.6 | -1 | 0 | 0 | 0 | 113.2 | L186 E187 A193 A194 | L186-W190 HydrophobicContact CD1-CZ2 3.99Å; L186-W190 HydrophobicContact CD2-CH2 4.11Å; L186-W190 HydrophobicContact CD2-CZ2 3.75Å; L186-W190 HydrophobicContact CG-CD2 4.26Å; L186-W190 HydrophobicContact CG-CH2 4.37Å; L186-W190 HydrophobicContact CG-CZ2 3.78Å; L186-W190 WeakPolarHBondContact O-CB 3.25Å; L186-W190 VanDerWaalsContact O-CG 3.26Å; L186-W190 PolarHBondContact O-N 2.98Å; E187-W190 PolarHBondContact O-N 3.24Å; W190-A193 PolarHBondContact O-N 3.16Å; W190-A194 PolarHBondContact O-N 3.31Å |
| 191 | V | 90.8 | Very high | 87.8 | Confident | 80 Ų | 80 | 102.8 Ų | 102.8 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 174.1 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | E187 A193 A194 E195 | E187-V191 WeakPolarHBondContact O-CG2 3.4Å; E187-V191 PolarHBondContact O-N 3.48Å; V191-A193 PolarHBondContact O-N 3.34Å; V191-A194 WeakPolarHBondContact O-CB 3.35Å; V191-A194 PolarHBondContact O-N 3.12Å; V191-A194 VanDerWaalsContact O-N 3.16Å; V191-E195 PolarHBondContact O-N 3.31Å |
| 192 | K | 91.3 | Very high | 88.5 | Confident | 122 Ų | 122 | 105 Ų | 105 | 53% | 0.53 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 177 | -176.3 | -176.1 | 172.5 | -168.5 | 0 | 112.3 | K188 A194 E195 D196 | K188-K192 WeakPolarHBondContact O-CB 3.05Å; K188-K192 PolarHBondContact O-N 3.4Å; K192-A194 VanDerWaalsContact C-N 3.28Å; K192-A194 PolarHBondContact O-N 2.88Å; K192-E195 PolarHBondContact O-N 3.02Å; K192-D196 PolarHBondContact O-N 3.31Å |
| 193 | A | 90 | Very high | 88.8 | Confident | 60 Ų | 60 | 108.8 Ų | 108.8 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -33.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D189 W190 V191 R197 | D189-A193 VanDerWaalsContact O-CB 3.31Å; D189-A193 WeakPolarHBondContact O-CB 3.23Å; D189-A193 PolarHBondContact O-N 3.01Å; W190-A193 PolarHBondContact O-N 3.16Å; V191-A193 PolarHBondContact O-N 3.34Å; A193-R197 WeakPolarHBondContact O-CB 3.43Å; A193-R197 PolarHBondContact O-N 2.89Å |
| 194 | A | 91 | Very high | 88.7 | Confident | 61 Ų | 61 | 106.9 Ų | 106.9 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W190 V191 K192 R197 E198 | W190-A194 PolarHBondContact O-N 3.31Å; V191-A194 WeakPolarHBondContact O-CB 3.35Å; V191-A194 PolarHBondContact O-N 3.12Å; V191-A194 VanDerWaalsContact O-N 3.16Å; K192-A194 VanDerWaalsContact C-N 3.28Å; K192-A194 PolarHBondContact O-N 2.88Å; A194-R197 PolarHBondContact O-N 3.32Å; A194-E198 PolarHBondContact O-N 3.28Å |
| 195 | E | 90.7 | Very high | 88.6 | Confident | 129 Ų | 129 | 106.7 Ų | 106.7 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 175.1 | -70 | -172.5 | 163 | 0 | 0 | 112.2 | V191 K192 R197 E198 M199 | V191-E195 PolarHBondContact O-N 3.31Å; K192-E195 PolarHBondContact O-N 3.02Å; E195-R197 VanDerWaalsContact C-N 3.34Å; E195-R197 PolarHBondContact O-N 3.36Å; E195-E198 PolarHBondContact O-N 3.23Å; E195-M199 PolarHBondContact O-N 2.75Å |
| 196 | D | 91.4 | Very high | 88.6 | Confident | 74 Ų | 74 | 106.5 Ų | 106.5 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 176.6 | -85.6 | -33.5 | 0 | 0 | 0 | 111.3 | K192 E198 M199 V200 | K192-D196 PolarHBondContact O-N 3.31Å; D196-E198 VanDerWaalsContact C-N 3.33Å; D196-E198 PolarHBondContact O-N 3.06Å; D196-M199 WeakPolarHBondContact O-CB 3.35Å; D196-M199 PolarHBondContact O-N 3.42Å; D196-V200 WeakPolarHBondContact O-CG2 3.43Å; D196-V200 PolarHBondContact O-N 3.31Å |
| 197 | R | 88.4 | Confident | 88.4 | Confident | 184 Ų | 184 | 106.9 Ų | 106.9 | 69% | 0.694 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 174.4 | -170.2 | 179.7 | -173.2 | -167.9 | 2.9 | 111.9 | A193 A194 E195 Q201 | A193-R197 WeakPolarHBondContact O-CB 3.43Å; A193-R197 PolarHBondContact O-N 2.89Å; A194-R197 PolarHBondContact O-N 3.32Å; E195-R197 VanDerWaalsContact C-N 3.34Å; E195-R197 PolarHBondContact O-N 3.36Å; R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 2.61Å; R197-Q201 VanDerWaalsContact O-N 3.13Å |
| 198 | E | 89.2 | Confident | 88 | Confident | 84 Ų | 84 | 104.3 Ų | 104.3 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.6 | -36 | 175.5 | -148.7 | -152.3 | 164.2 | 0 | 0 | 111.9 | A194 E195 D196 Q201 R202 | A194-E198 PolarHBondContact O-N 3.28Å; E195-E198 PolarHBondContact O-N 3.23Å; D196-E198 VanDerWaalsContact C-N 3.33Å; D196-E198 PolarHBondContact O-N 3.06Å; E198-Q201 PolarHBondContact O-N 3.4Å; E198-R202 WeakPolarHBondContact O-CG 3.28Å; E198-R202 PolarHBondContact O-N 2.96Å; E198-R202 IonicContact OE1-CZ 2.64Å; E198-R202 IonicContact OE1-NE 3.94Å; E198-R202 IonicContact OE1-NH1 2.7Å; E198-R202 IonicContact OE1-NH2 3.47Å; E198-R202 PolarHBondContact OE1-NH2 3.09Å; E198-R202 IonicContact OE2-CZ 3.54Å; E198-R202 IonicContact OE2-NH1 3.96Å; E198-R202 PolarHBondContact OE2-NH1 3.44Å; E198-R202 IonicContact OE2-NH2 2.65Å; E198-R202 PolarHBondContact OE2-NH2 3.08Å |
| 199 | M | 85.6 | Confident | 87.5 | Confident | 75 Ų | 75 | 103.7 Ų | 103.7 | 37% | 0.369 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 174.3 | -160.1 | -159.4 | -50.6 | 0 | 0 | 111.5 | E195 D196 R202 R203 | E195-M199 PolarHBondContact O-N 2.75Å; D196-M199 WeakPolarHBondContact O-CB 3.35Å; D196-M199 PolarHBondContact O-N 3.42Å; M199-R202 PolarHBondContact O-N 3.07Å; M199-R203 WeakPolarHBondContact O-CG 3.18Å; M199-R203 PolarHBondContact O-N 2.79Å; M199-R203 PolarHBondContact SD-NH2 3.42Å |
| 200 | V | 87.5 | Confident | 87.1 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 174.6 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | D196 R202 R203 Q204 | D196-V200 WeakPolarHBondContact O-CG2 3.43Å; D196-V200 PolarHBondContact O-N 3.31Å; V200-R202 VanDerWaalsContact C-N 3.33Å; V200-R202 PolarHBondContact O-N 2.87Å; V200-R203 PolarHBondContact O-N 3.12Å; V200-Q204 HydrophobicContact CG1-CG 4.38Å; V200-Q204 WeakPolarHBondContact O-CB 3.36Å; V200-Q204 WeakPolarHBondContact O-CG 3.4Å; V200-Q204 PolarHBondContact O-N 3.33Å |
| 201 | Q | 87.3 | Confident | 87 | Confident | 86 Ų | 86 | 103 Ų | 103 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -35.9 | 175.2 | -71.2 | 178.2 | 28.6 | 0 | 0 | 113.1 | R197 E198 R205 | R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 2.61Å; R197-Q201 VanDerWaalsContact O-N 3.13Å; E198-Q201 PolarHBondContact O-N 3.4Å; Q201-R205 WeakPolarHBondContact O-CB 3.28Å; Q201-R205 PolarHBondContact O-N 2.87Å; Q201-R205 PolarHBondContact O-NE 2.7Å |
| 202 | R | 87.5 | Confident | 86.6 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 172.1 | -72.4 | 179 | -177.5 | 108.1 | -1.8 | 111.2 | E198 M199 V200 R205 M206 | E198-R202 WeakPolarHBondContact O-CG 3.28Å; E198-R202 PolarHBondContact O-N 2.96Å; E198-R202 IonicContact OE1-CZ 2.64Å; E198-R202 IonicContact OE1-NE 3.94Å; E198-R202 IonicContact OE1-NH1 2.7Å; E198-R202 IonicContact OE1-NH2 3.47Å; E198-R202 PolarHBondContact OE1-NH2 3.09Å; E198-R202 IonicContact OE2-CZ 3.54Å; E198-R202 IonicContact OE2-NH1 3.96Å; E198-R202 PolarHBondContact OE2-NH1 3.44Å; E198-R202 IonicContact OE2-NH2 2.65Å; E198-R202 PolarHBondContact OE2-NH2 3.08Å; M199-R202 PolarHBondContact O-N 3.07Å; V200-R202 VanDerWaalsContact C-N 3.33Å; V200-R202 PolarHBondContact O-N 2.87Å; R202-R205 PolarHBondContact O-N 2.83Å; R202-M206 WeakPolarHBondContact O-CG 3.47Å; R202-M206 PolarHBondContact O-N 2.81Å |
| 203 | R | 87 | Confident | 86.2 | Confident | 165 Ų | 165 | 107.6 Ų | 107.6 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -43 | 176.5 | -70.5 | 178.9 | -170.1 | -150.8 | 7.6 | 111.8 | M199 V200 M206 S207 | M199-R203 WeakPolarHBondContact O-CG 3.18Å; M199-R203 PolarHBondContact O-N 2.79Å; M199-R203 PolarHBondContact SD-NH2 3.42Å; V200-R203 PolarHBondContact O-N 3.12Å; R203-M206 PolarHBondContact O-N 3.28Å; R203-S207 VanDerWaalsContact O-CB 3.3Å; R203-S207 WeakPolarHBondContact O-CB 3.46Å; R203-S207 PolarHBondContact O-N 2.87Å |
| 204 | Q | 84.7 | Confident | 85.8 | Confident | 119 Ų | 119 | 111.3 Ų | 111.3 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.7 | -52.6 | 174.6 | -75.8 | 172.3 | -23.3 | 0 | 0 | 111 | V200 M206 S207 E208 | V200-Q204 HydrophobicContact CG1-CG 4.38Å; V200-Q204 WeakPolarHBondContact O-CB 3.36Å; V200-Q204 WeakPolarHBondContact O-CG 3.4Å; V200-Q204 PolarHBondContact O-N 3.33Å; Q204-M206 VanDerWaalsContact C-N 3.29Å; Q204-M206 PolarHBondContact O-N 2.92Å; Q204-S207 PolarHBondContact O-N 3.47Å; Q204-S207 VanDerWaalsContact O-N 3.16Å; Q204-E208 WeakPolarHBondContact O-CB 3.25Å; Q204-E208 PolarHBondContact O-N 3.31Å |
| 205 | R | 83.2 | Confident | 85.3 | Confident | 120 Ų | 120 | 111.8 Ų | 111.8 | 45% | 0.453 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58 | -36.8 | 176.6 | -82.1 | 179 | -80.1 | 130.8 | -11 | 113.6 | Q201 R202 Q209 | Q201-R205 WeakPolarHBondContact O-CB 3.28Å; Q201-R205 PolarHBondContact O-N 2.87Å; Q201-R205 PolarHBondContact O-NE 2.7Å; R202-R205 PolarHBondContact O-N 2.83Å; R205-Q209 WeakPolarHBondContact O-CB 3.49Å; R205-Q209 VanDerWaalsContact O-CG 3.28Å; R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 3.19Å |
| 206 | M | 85 | Confident | 84 | Confident | 123 Ų | 123 | 113.9 Ų | 113.9 | 61% | 0.606 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.6 | -41.6 | 174.8 | -68.6 | -157.4 | -53.4 | 0 | 0 | 112.7 | R202 R203 Q204 E208 Q209 V210 | R202-M206 WeakPolarHBondContact O-CG 3.47Å; R202-M206 PolarHBondContact O-N 2.81Å; R203-M206 PolarHBondContact O-N 3.28Å; Q204-M206 VanDerWaalsContact C-N 3.29Å; Q204-M206 PolarHBondContact O-N 2.92Å; M206-E208 VanDerWaalsContact C-N 3.29Å; M206-E208 PolarHBondContact O-N 3.12Å; M206-Q209 PolarHBondContact O-N 3.46Å; M206-V210 WeakPolarHBondContact O-CB 3.24Å; M206-V210 WeakPolarHBondContact O-CG2 3.31Å; M206-V210 PolarHBondContact O-N 2.94Å |
| 207 | S | 83.8 | Confident | 82.6 | Confident | 67 Ų | 67 | 115.5 Ų | 115.5 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | R203 Q204 V210 R211 | R203-S207 VanDerWaalsContact O-CB 3.3Å; R203-S207 WeakPolarHBondContact O-CB 3.46Å; R203-S207 PolarHBondContact O-N 2.87Å; Q204-S207 PolarHBondContact O-N 3.47Å; Q204-S207 VanDerWaalsContact O-N 3.16Å; S207-V210 PolarHBondContact O-N 2.9Å; S207-R211 WeakPolarHBondContact O-CB 3.42Å; S207-R211 PolarHBondContact O-N 3.09Å |
| 208 | E | 82.9 | Confident | 81.1 | Confident | 76 Ų | 76 | 115.5 Ų | 115.5 | 36% | 0.355 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.7 | -48.6 | 174.8 | -164.2 | -171.2 | 167.2 | 0 | 0 | 111.4 | Q204 M206 V210 R211 R212 | Q204-E208 WeakPolarHBondContact O-CB 3.25Å; Q204-E208 PolarHBondContact O-N 3.31Å; M206-E208 VanDerWaalsContact C-N 3.29Å; M206-E208 PolarHBondContact O-N 3.12Å; E208-V210 PolarHBondContact O-N 3.41Å; E208-R211 WeakPolarHBondContact O-CA 3.49Å; E208-R211 WeakPolarHBondContact O-CB 3.14Å; E208-R211 PolarHBondContact O-N 2.85Å; E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 2.93Å; E208-R212 IonicContact OE1-CZ 3.73Å; E208-R212 IonicContact OE1-NE 2.72Å; E208-R212 PolarHBondContact OE1-NE 3.4Å; E208-R212 IonicContact OE1-NH2 3.22Å; E208-R212 PolarHBondContact OE1-NH2 3.07Å |
| 209 | Q | 81.6 | Confident | 79.2 | Confident | 106 Ų | 106 | 118 Ų | 118 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -57.9 | -34.7 | 173.5 | -77.1 | 178 | 32 | 0 | 0 | 113 | R205 M206 R213 | R205-Q209 WeakPolarHBondContact O-CB 3.49Å; R205-Q209 VanDerWaalsContact O-CG 3.28Å; R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 3.19Å; M206-Q209 PolarHBondContact O-N 3.46Å; Q209-R213 WeakPolarHBondContact O-CB 3.27Å; Q209-R213 WeakPolarHBondContact O-CD 3.41Å; Q209-R213 WeakPolarHBondContact O-CG 3.42Å; Q209-R213 PolarHBondContact O-N 3.06Å; Q209-R213 VanDerWaalsContact O-N 3.12Å |
| 210 | V | 81 | Confident | 77.5 | Confident | 79 Ų | 79 | 122.5 Ų | 122.5 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.8 | -43.7 | 171.9 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | M206 S207 E208 R213 L214 | M206-V210 WeakPolarHBondContact O-CB 3.24Å; M206-V210 WeakPolarHBondContact O-CG2 3.31Å; M206-V210 PolarHBondContact O-N 2.94Å; S207-V210 PolarHBondContact O-N 2.9Å; E208-V210 PolarHBondContact O-N 3.41Å; V210-R213 PolarHBondContact O-N 3.37Å; V210-L214 HydrophobicContact CG1-CD1 3.76Å; V210-L214 HydrophobicContact CG1-CG 4.29Å; V210-L214 WeakPolarHBondContact O-CB 3.3Å; V210-L214 VanDerWaalsContact O-CG 3.28Å; V210-L214 WeakPolarHBondContact O-CG 3.27Å; V210-L214 PolarHBondContact O-N 2.8Å |
| 211 | R | 86.7 | Confident | 75.8 | Confident | 164 Ų | 164 | 126.2 Ų | 126.2 | 62% | 0.619 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.5 | -49.5 | 176.2 | -166.7 | -174 | -59.4 | 154.1 | 2.3 | 111.9 | S207 E208 R213 L214 A215 | S207-R211 WeakPolarHBondContact O-CB 3.42Å; S207-R211 PolarHBondContact O-N 3.09Å; E208-R211 WeakPolarHBondContact O-CA 3.49Å; E208-R211 WeakPolarHBondContact O-CB 3.14Å; E208-R211 PolarHBondContact O-N 2.85Å; R211-R213 PolarHBondContact O-N 3.42Å; R211-L214 PolarHBondContact O-N 3.48Å; R211-L214 VanDerWaalsContact O-N 3.14Å; R211-A215 WeakPolarHBondContact O-CB 3.49Å; R211-A215 PolarHBondContact O-N 3.31Å |
| 212 | R | 83.1 | Confident | 73.5 | Confident | 98 Ų | 98 | 128.3 Ų | 128.3 | 37% | 0.37 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.8 | -43.9 | 176.9 | -55.8 | -161.6 | -166.3 | -160.6 | 4.2 | 111.8 | E208 L214 A215 M216 E217 | E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 2.93Å; E208-R212 IonicContact OE1-CZ 3.73Å; E208-R212 IonicContact OE1-NE 2.72Å; E208-R212 PolarHBondContact OE1-NE 3.4Å; E208-R212 IonicContact OE1-NH2 3.22Å; E208-R212 PolarHBondContact OE1-NH2 3.07Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 3.02Å; R212-A215 PolarHBondContact O-N 2.7Å; R212-M216 PolarHBondContact O-N 3.35Å; R212-E217 HydrophobicContact CB-CB 4.28Å; R212-E217 VanDerWaalsContact CB-OE2 3.23Å; R212-E217 WeakPolarHBondContact CB-OE2 3.42Å; R212-E217 VanDerWaalsContact CD-OE2 3.25Å; R212-E217 WeakPolarHBondContact CD-OE2 3.4Å; R212-E217 WeakPolarHBondContact CG-OE2 3.48Å; R212-E217 IonicContact NH1-OE1 3.87Å; R212-E217 WeakPolarHBondContact O-CB 3.48Å; R212-E217 PolarHBondContact O-N 2.73Å; R212-E217 VanDerWaalsContact O-N 3.16Å |
| 213 | R | 83.5 | Confident | 71.2 | Confident | 199 Ų | 199 | 125.8 Ų | 125.8 | 75% | 0.751 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.4 | -30.5 | 174.8 | -74.6 | 173.9 | -175.1 | -165.6 | 4.7 | 114.1 | Q209 V210 R211 | Q209-R213 WeakPolarHBondContact O-CB 3.27Å; Q209-R213 WeakPolarHBondContact O-CD 3.41Å; Q209-R213 WeakPolarHBondContact O-CG 3.42Å; Q209-R213 PolarHBondContact O-N 3.06Å; Q209-R213 VanDerWaalsContact O-N 3.12Å; V210-R213 PolarHBondContact O-N 3.37Å; R211-R213 PolarHBondContact O-N 3.42Å |
| 214 | L | 80.8 | Confident | 69 | Low | 138 Ų | 138 | 130.1 Ų | 130.1 | 72% | 0.723 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79 | -36.7 | 175.9 | -73.6 | 170.3 | 0 | 0 | 0 | 111.9 | V210 R211 R212 M216 | V210-L214 HydrophobicContact CG1-CD1 3.76Å; V210-L214 HydrophobicContact CG1-CG 4.29Å; V210-L214 WeakPolarHBondContact O-CB 3.3Å; V210-L214 VanDerWaalsContact O-CG 3.28Å; V210-L214 WeakPolarHBondContact O-CG 3.27Å; V210-L214 PolarHBondContact O-N 2.8Å; R211-L214 PolarHBondContact O-N 3.48Å; R211-L214 VanDerWaalsContact O-N 3.14Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 3.02Å; L214-M216 PolarHBondContact O-N 2.94Å; L214-M216 VanDerWaalsContact O-N 3.16Å |
| 215 | A | 80.1 | Confident | 66.8 | Low | 72 Ų | 72 | 132.6 Ų | 132.6 | 60% | 0.595 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 0.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R211 R212 E217 | R211-A215 WeakPolarHBondContact O-CB 3.49Å; R211-A215 PolarHBondContact O-N 3.31Å; R212-A215 PolarHBondContact O-N 2.7Å; A215-E217 PolarHBondContact O-N 3.44Å |
| 216 | M | 64.8 | Low | 64.9 | Low | 173 Ų | 173 | 132.4 Ų | 132.4 | 85% | 0.852 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.8 | 28.2 | -170.7 | -55.9 | -167.3 | 68.5 | 0 | 0 | 113.6 | R212 L214 E218 | R212-M216 PolarHBondContact O-N 3.35Å; L214-M216 PolarHBondContact O-N 2.94Å; L214-M216 VanDerWaalsContact O-N 3.16Å; M216-E218 VanDerWaalsContact C-N 3.27Å; M216-E218 PolarHBondContact O-N 2.72Å |
| 217 | E | 60.1 | Low | 62.7 | Low | 108 Ų | 108 | 136.5 Ų | 136.5 | 51% | 0.505 | 68% | 0.682 | S | S | . | * | trans | -70.7 | 83.8 | 173.8 | -167.6 | -170.7 | 164.5 | 0 | 0 | 108.7 | R212 A215 | R212-E217 HydrophobicContact CB-CB 4.28Å; R212-E217 VanDerWaalsContact CB-OE2 3.23Å; R212-E217 WeakPolarHBondContact CB-OE2 3.42Å; R212-E217 VanDerWaalsContact CD-OE2 3.25Å; R212-E217 WeakPolarHBondContact CD-OE2 3.4Å; R212-E217 WeakPolarHBondContact CG-OE2 3.48Å; R212-E217 IonicContact NH1-OE1 3.87Å; R212-E217 WeakPolarHBondContact O-CB 3.48Å; R212-E217 PolarHBondContact O-N 2.73Å; R212-E217 VanDerWaalsContact O-N 3.16Å; A215-E217 PolarHBondContact O-N 3.44Å | ||
| 218 | E | 57.9 | Low | 60.6 | Low | 184 Ų | 184 | 145 Ų | 145 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | -64.9 | 133.3 | 175.6 | -174 | 154.7 | -153.4 | 0 | 0 | 109.4 | M216 D220 | M216-E218 VanDerWaalsContact C-N 3.27Å; M216-E218 PolarHBondContact O-N 2.72Å; E218-D220 PolarHBondContact O-N 2.82Å; E218-D220 VanDerWaalsContact O-N 3.11Å | ||
| 219 | F | 49.5 | Very low | 58.5 | Low | 137 Ų | 137 | 149.3 Ų | 149.3 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | trans | -77 | 107.3 | -163.5 | -150.1 | -63.9 | 0 | 0 | 0 | 110.1 | K221 | F219-K221 VanDerWaalsContact C-N 3.29Å; F219-K221 HydrophobicContact CD1-CB 4.09Å; F219-K221 HydrophobicContact CD1-CD 3.73Å; F219-K221 HydrophobicContact CD1-CG 3.8Å; F219-K221 HydrophobicContact CE1-CD 3.63Å; F219-K221 HydrophobicContact CE1-CG 3.91Å; F219-K221 PolarHBondContact O-N 2.86Å | ||
| 220 | D | 50.1 | Low | 56.7 | Low | 168 Ų | 168 | 151.9 Ų | 151.9 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | trans | -63.9 | 91.8 | 171.7 | -112.4 | -29.8 | 0 | 0 | 0 | 110.1 | E218 | E218-D220 PolarHBondContact O-N 2.82Å; E218-D220 VanDerWaalsContact O-N 3.11Å | ||
| 221 | K | 50.5 | Low | 54.9 | Low | 153 Ų | 153 | 158.7 Ų | 158.7 | 67% | 0.665 | 75% | 0.754 | S | S | * | * | trans | -138.1 | 121.4 | 174 | -105.8 | 177.5 | 180 | 166.4 | 0 | 108.4 | F219 G223 | F219-K221 VanDerWaalsContact C-N 3.29Å; F219-K221 HydrophobicContact CD1-CB 4.09Å; F219-K221 HydrophobicContact CD1-CD 3.73Å; F219-K221 HydrophobicContact CD1-CG 3.8Å; F219-K221 HydrophobicContact CE1-CD 3.63Å; F219-K221 HydrophobicContact CE1-CG 3.91Å; F219-K221 PolarHBondContact O-N 2.86Å; K221-G223 PolarHBondContact O-N 3.38Å | ||
| 222 | P | 40.5 | Very low | 52.9 | Low | 130 Ų | 130 | 162.8 Ų | 162.8 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | trans | -69.2 | 134.9 | -167.4 | 26 | -34.7 | 0 | 0 | 0 | 112.7 | ||||
| 223 | G | 38.2 | Very low | 51.4 | Low | 63 Ų | 63 | 162.1 Ų | 162.1 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | 87.7 | 51.3 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | K221 | K221-G223 PolarHBondContact O-N 3.38Š| ||
| 224 | W | 41.7 | Very low | 50 | Low | 255 Ų | 255 | 156.4 Ų | 156.4 | 97% | 0.966 | 77% | 0.77 | S | S | * | * | trans | -125 | 79.8 | 158.3 | -77.1 | 97.1 | 0 | 0 | 0 | 113.1 | S226 | W224-S226 PolarHBondContact O-N 3.16Š| ||
| 225 | L | 38.3 | Very low | 49 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -64.2 | 109.2 | 172.9 | -70.1 | 166.7 | 0 | 0 | 0 | 111.6 | ||||
| 226 | S | 41.8 | Very low | 48.2 | Very low | 116 Ų | 116 | 155.6 Ų | 155.6 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | -159.9 | 88.7 | 157.8 | -90.5 | 0 | 0 | 0 | 0 | 115.3 | W224 R228 | W224-S226 PolarHBondContact O-N 3.16Å; S226-R228 PolarHBondContact O-N 2.83Å | ||
| 227 | K | 39 | Very low | 48 | Very low | 210 Ų | 210 | 150.4 Ų | 150.4 | 91% | 0.913 | 74% | 0.738 | S | S | * | * | trans | 18.9 | 97.2 | 142.5 | -63.1 | 177.5 | 178.9 | 177.2 | 0 | 117 | ||||
| 228 | R | 41.5 | Very low | 48 | Very low | 244 Ų | 244 | 154.6 Ų | 154.6 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | -151 | 80.9 | 144.1 | -144 | 171.7 | -65.6 | -153.7 | 3.5 | 112.8 | S226 | S226-R228 PolarHBondContact O-N 2.83Š| ||
| 229 | Q | 38.6 | Very low | 48.1 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -66.3 | 177.5 | 160.4 | -70.1 | 178.5 | -67.4 | 0 | 0 | 110.7 | ||||
| 230 | H | 43.7 | Very low | 48.5 | Very low | 159 Ų | 159 | 152.1 Ų | 152.1 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | 100.8 | 120.1 | 167.6 | -51.4 | -65.2 | 0 | 0 | 0 | 117.3 | ||||
| 231 | Y | 42.3 | Very low | 49 | Very low | 222 Ų | 222 | 151.4 Ų | 151.4 | 87% | 0.871 | 74% | 0.737 | S | S | * | * | trans | 54.6 | 74.2 | 162.1 | -59.1 | -70 | 0 | 0 | 0 | 118.8 | ||||
| 232 | R | 45.3 | Very low | 49 | Very low | 250 Ų | 250 | 145.9 Ų | 145.9 | 94% | 0.943 | 72% | 0.724 | S | S | * | * | trans | -81.1 | 111 | 139.9 | -76.5 | -75.8 | 175.9 | 157.5 | -0.6 | 108.3 | ||||
| 233 | S | 50.6 | Low | 49.7 | Very low | 85 Ų | 85 | 148 Ų | 148 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | trans | -71.8 | 148.2 | 169.7 | 46.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 234 | S | 55.2 | Low | 50.8 | Low | 78 Ų | 78 | 152.6 Ų | 152.6 | 55% | 0.545 | 74% | 0.735 | S | S | . | * | trans | -60.4 | 143.1 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | G236 S237 | S234-G236 PolarHBondContact O-N 3.41Å; S234-G236 PolarHBondContact OG-N 3.28Å; S234-S237 WeakPolarHBondContact O-CB 3.47Å; S234-S237 PolarHBondContact O-N 3.15Å | ||
| 235 | F | 59.4 | Low | 51.6 | Low | 160 Ų | 160 | 147.4 Ų | 147.4 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -54.2 | -39.9 | 175.6 | -175.1 | -113.2 | 0 | 0 | 0 | 111.9 | S237 R238 L239 | F235-S237 VanDerWaalsContact C-N 3.29Å; F235-S237 PolarHBondContact O-N 3.49Å; F235-R238 PolarHBondContact O-N 3.36Å; F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CE1-CD1 3.72Å; F235-L239 HydrophobicContact CE1-CG 4.41Å; F235-L239 HydrophobicContact CZ-CD1 4.43Å; F235-L239 PolarHBondContact O-N 2.99Å |
| 236 | G | 63.1 | Low | 52.9 | Low | 33 Ų | 33 | 148.3 Ų | 148.3 | 34% | 0.34 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -60 | -34.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S234 R238 L239 Q240 | S234-G236 PolarHBondContact O-N 3.41Å; S234-G236 PolarHBondContact OG-N 3.28Å; G236-R238 VanDerWaalsContact C-N 3.26Å; G236-R238 PolarHBondContact O-N 2.88Å; G236-L239 PolarHBondContact O-N 3.24Å; G236-Q240 PolarHBondContact O-N 3.16Å |
| 237 | S | 59.7 | Low | 53.8 | Low | 64 Ų | 64 | 148.3 Ų | 148.3 | 45% | 0.448 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -71.2 | -19.4 | 177.2 | -50.2 | 0 | 0 | 0 | 0 | 113.3 | S234 F235 | S234-S237 WeakPolarHBondContact O-CB 3.47Å; S234-S237 PolarHBondContact O-N 3.15Å; F235-S237 VanDerWaalsContact C-N 3.29Å; F235-S237 PolarHBondContact O-N 3.49Å |
| 238 | R | 60.6 | Low | 54.5 | Low | 197 Ų | 197 | 143.8 Ų | 143.8 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -84.4 | -35.6 | 171.5 | -86.1 | -175.8 | 161.1 | -153.9 | -5.9 | 112.5 | F235 G236 | F235-R238 PolarHBondContact O-N 3.36Å; G236-R238 VanDerWaalsContact C-N 3.26Å; G236-R238 PolarHBondContact O-N 2.88Å |
| 239 | L | 59.9 | Low | 55.1 | Low | 106 Ų | 106 | 141.7 Ų | 141.7 | 56% | 0.555 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -63.2 | -42.2 | 178.9 | -74.1 | 166.5 | 0 | 0 | 0 | 112.2 | F235 G236 L241 G242 | F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CE1-CD1 3.72Å; F235-L239 HydrophobicContact CE1-CG 4.41Å; F235-L239 HydrophobicContact CZ-CD1 4.43Å; F235-L239 PolarHBondContact O-N 2.99Å; G236-L239 PolarHBondContact O-N 3.24Å; L239-L241 PolarHBondContact O-N 2.64Å; L239-L241 VanDerWaalsContact O-N 3.15Å; L239-G242 PolarHBondContact O-N 2.64Å; L239-G242 VanDerWaalsContact O-N 3.16Å |
| 240 | Q | 59.1 | Low | 55.8 | Low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -15.6 | -176.7 | -71.3 | 179.4 | -17.9 | 0 | 0 | 115.4 | G236 | G236-Q240 PolarHBondContact O-N 3.16Š|
| 241 | L | 60.8 | Low | 56.2 | Low | 152 Ų | 152 | 137.3 Ų | 137.3 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -3.6 | 178.5 | -71.9 | 165.8 | 0 | 0 | 0 | 113.2 | L239 M243 | L239-L241 PolarHBondContact O-N 2.64Å; L239-L241 VanDerWaalsContact O-N 3.15Å; L241-M243 PolarHBondContact O-N 3.47Å |
| 242 | G | 50.5 | Low | 56.3 | Low | 38 Ų | 38 | 133.2 Ų | 133.2 | 39% | 0.392 | 70% | 0.695 | S | S | . | * | trans | -99.1 | 60.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L239 N244 L245 | L239-G242 PolarHBondContact O-N 2.64Å; L239-G242 VanDerWaalsContact O-N 3.16Å; G242-N244 PolarHBondContact O-N 3.48Å; G242-L245 PolarHBondContact O-N 2.99Å | ||
| 243 | M | 54.2 | Low | 56.4 | Low | 173 Ų | 173 | 126 Ų | 126 | 85% | 0.852 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 7.6 | -168.6 | -74.2 | 166.1 | 55.1 | 0 | 0 | 117.7 | L241 | L241-M243 PolarHBondContact O-N 3.47Š|
| 244 | N | 60.6 | Low | 55.9 | Low | 161 Ų | 161 | 128.5 Ų | 128.5 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | 26 | -176.6 | -65.4 | -23 | 0 | 0 | 0 | 113.4 | G242 | G242-N244 PolarHBondContact O-N 3.48Š|
| 245 | L | 59.1 | Low | 55.2 | Low | 145 Ų | 145 | 132.9 Ų | 132.9 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | -112.1 | 97 | 174.4 | -73.7 | 170.6 | 0 | 0 | 0 | 110.3 | G242 V247 | G242-L245 PolarHBondContact O-N 2.99Å; L245-V247 PolarHBondContact O-N 2.96Å | ||
| 246 | E | 66.5 | Low | 54.1 | Low | 190 Ų | 190 | 131.4 Ų | 131.4 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | trans | -68.5 | 119.7 | 165.4 | -66.4 | -175.2 | 149.4 | 0 | 0 | 108.8 | C248 | E246-C248 PolarHBondContact O-N 2.77Š| ||
| 247 | V | 61 | Low | 53.2 | Low | 117 Ų | 117 | 137.4 Ų | 137.4 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | trans | -80.8 | 106.4 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | L245 F249 | L245-V247 PolarHBondContact O-N 2.96Å; V247-F249 PolarHBondContact O-N 3.18Å | ||
| 248 | C | 52 | Low | 52.4 | Low | 114 Ų | 114 | 141.8 Ų | 141.8 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | -60.8 | 109.6 | 167.6 | -65.6 | 0 | 0 | 0 | 0 | 109 | E246 V250 | E246-C248 PolarHBondContact O-N 2.77Å; C248-V250 PolarHBondContact O-N 3.48Å | ||
| 249 | F | 54 | Low | 51.5 | Low | 201 Ų | 201 | 137.7 Ų | 137.7 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -65.7 | 97.4 | 166.1 | -79.8 | -96.9 | 0 | 0 | 0 | 108.5 | V247 | V247-F249 PolarHBondContact O-N 3.18Š| ||
| 250 | V | 54.2 | Low | 50.7 | Low | 105 Ų | 105 | 140.3 Ų | 140.3 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -63.5 | 135.1 | 152.3 | -177.8 | 0 | 0 | 0 | 0 | 106 | C248 D252 | C248-V250 PolarHBondContact O-N 3.48Å; V250-D252 WeakPolarHBondContact CG1-OD1 3.33Å; V250-D252 PolarHBondContact O-N 3.03Å | ||
| 251 | N | 52.4 | Low | 49.9 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -81.5 | 78.6 | -179.4 | -171.7 | 95.1 | 0 | 0 | 0 | 108.8 | S253 | N251-S253 PolarHBondContact ND2-OG 3.46Å; N251-S253 PolarHBondContact O-N 2.87Å | ||
| 252 | D | 45 | Very low | 48.7 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -65.8 | 81.6 | 178.7 | -61.8 | -22.9 | 0 | 0 | 0 | 109.9 | V250 | V250-D252 WeakPolarHBondContact CG1-OD1 3.33Å; V250-D252 PolarHBondContact O-N 3.03Å | ||
| 253 | S | 45.6 | Very low | 48.1 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -125.8 | 2.6 | 169.7 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | N251 | N251-S253 PolarHBondContact ND2-OG 3.46Å; N251-S253 PolarHBondContact O-N 2.87Å | ||
| 254 | D | 40 | Very low | 47.4 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -109.9 | 144.9 | 165.2 | -60.2 | -53.3 | 0 | 0 | 0 | 107.8 | ||
| 255 | L | 41.5 | Very low | 46.3 | Very low | 170 Ų | 170 | 143 Ų | 143 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 74.1 | 53.9 | 170.6 | -47.9 | -178.2 | 0 | 0 | 0 | 119 | ||
| 256 | C | 35.5 | Very low | 45.5 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | -165.9 | 127.7 | 138 | -101.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 257 | E | 44.1 | Very low | 44 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | -166.1 | 130.9 | 114.5 | -78.1 | -139 | 173.2 | 0 | 0 | 108.9 | |||||
| 258 | Q | 43.6 | Very low | 42.9 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | trans | 55.2 | 139.5 | 147.1 | -56.6 | -176.4 | 72.3 | 0 | 0 | 120.9 | ||||
| 259 | N | 41.3 | Very low | 42.5 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | cis | -159.6 | 159.2 | -14.4 | -123.8 | 24.4 | 0 | 0 | 0 | 111.2 | ||||
| 260 | E | 43.4 | Very low | 42.2 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 25.2 | 129.5 | 142 | -58.3 | 164.4 | -142.9 | 0 | 0 | 119 | ||||
| 261 | E | 41.6 | Very low | 41.8 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | -159.8 | 155 | 51.8 | -99.6 | -165.7 | 138.2 | 0 | 0 | 116.4 | |||||
| 262 | C | 37.5 | Very low | 41.7 | Very low | 103 Ų | 103 | 148 Ų | 148 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | 59.3 | 105.5 | 136.4 | -146.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 263 | E | 37.8 | Very low | 41.8 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | 27.5 | 119.6 | 137.2 | -54.1 | -172.2 | 177.5 | 0 | 0 | 122.8 | ||||
| 264 | K | 39.6 | Very low | 42.4 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | -167.6 | 157.8 | 95.8 | -100.7 | 158.6 | -168.5 | 167.1 | 0 | 112.6 | |||||
| 265 | A | 36.3 | Very low | 43 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -104.2 | 145.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 266 | E | 42.3 | Very low | 43.7 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -145 | 151.4 | 134.2 | -78.6 | -144.9 | 155.6 | 0 | 0 | 111.9 | ||||
| 267 | E | 35.5 | Very low | 44.5 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -45 | 138.3 | 177.4 | -179.4 | 176.9 | 173.9 | 0 | 0 | 117.3 | ||||
| 268 | G | 37.9 | Very low | 44.7 | Very low | 63 Ų | 63 | 137.3 Ų | 137.3 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | trans | 145.4 | 49.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | L270 | G268-L270 VanDerWaalsContact C-N 3.31Å; G268-L270 PolarHBondContact O-N 3.14Å | ||
| 269 | T | 44.3 | Very low | 45.1 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 87% | 0.865 | 72% | 0.724 | S | S | * | * | trans | -70.9 | 78.5 | 177.3 | -42.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 270 | L | 47.7 | Very low | 45.7 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -70.6 | 135.1 | 165.2 | -73.5 | 173.4 | 0 | 0 | 0 | 110.3 | G268 K272 | G268-L270 VanDerWaalsContact C-N 3.31Å; G268-L270 PolarHBondContact O-N 3.14Å; L270-K272 PolarHBondContact O-N 2.98Å | ||
| 271 | H | 44.5 | Very low | 46.1 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 85% | 0.847 | 71% | 0.711 | S | S | * | * | trans | -70 | 113.8 | 175.5 | -72.8 | -120.2 | 0 | 0 | 0 | 109 | S273 | H271-S273 PolarHBondContact O-N 3.45Š| ||
| 272 | K | 50.6 | Low | 46.4 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | trans | -61.5 | 129 | 176.6 | -70.3 | -176.3 | 175.6 | -178.9 | 0 | 110.3 | L270 | L270-K272 PolarHBondContact O-N 2.98Š| ||
| 273 | S | 47.2 | Very low | 46.9 | Very low | 87 Ų | 87 | 122.2 Ų | 122.2 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | trans | -60.9 | 145.4 | 174.3 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | H271 S275 T276 | H271-S273 PolarHBondContact O-N 3.45Å; S273-S275 PolarHBondContact O-N 2.86Å; S273-T276 PolarHBondContact O-N 2.85Å; S273-T276 PolarHBondContact O-OG1 3.43Å | ||
| 274 | V | 58.2 | Low | 47.6 | Very low | 152 Ų | 152 | 118.3 Ų | 118.3 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -21.3 | -175.6 | -179.8 | 0 | 0 | 0 | 0 | 113 | T276 | V274-T276 VanDerWaalsContact C-N 3.28Å; V274-T276 PolarHBondContact O-N 3.08Å |
| 275 | S | 52.4 | Low | 48.1 | Very low | 101 Ų | 101 | 112.2 Ų | 112.2 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -5.1 | -178.8 | -29.3 | 0 | 0 | 0 | 0 | 115.7 | S273 P277 | S273-S275 PolarHBondContact O-N 2.86Å; S275-P277 WeakPolarHBondContact O-CD 3.3Å |
| 276 | T | 57.4 | Low | 48.7 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 53% | 0.528 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -84.1 | 117.9 | -179.7 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | S273 V274 N278 | S273-T276 PolarHBondContact O-N 2.85Å; S273-T276 PolarHBondContact O-OG1 3.43Å; V274-T276 VanDerWaalsContact C-N 3.28Å; V274-T276 PolarHBondContact O-N 3.08Å; T276-N278 PolarHBondContact O-N 2.9Å |
| 277 | P | 51.4 | Low | 48.6 | Very low | 62 Ų | 62 | 108.8 Ų | 108.8 | 40% | 0.403 | 65% | 0.647 | S | S | . | * | trans | -61.1 | 129.8 | 173.6 | 23.6 | -32.2 | 0 | 0 | 0 | 110.8 | S275 F279 | S275-P277 WeakPolarHBondContact O-CD 3.3Å; P277-F279 VanDerWaalsContact C-N 3.35Å; P277-F279 HydrophobicContact CB-CE2 4.38Å; P277-F279 HydrophobicContact CB-CZ 4.31Å; P277-F279 HydrophobicContact CG-CD2 4.48Å; P277-F279 HydrophobicContact CG-CE2 3.71Å; P277-F279 HydrophobicContact CG-CZ 3.77Å; P277-F279 WeakPolarHBondContact O-CD2 3.45Å; P277-F279 PolarHBondContact O-N 2.96Å | ||
| 278 | N | 47.9 | Very low | 48.7 | Very low | 116 Ų | 116 | 103.2 Ų | 103.2 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | trans | -82.8 | 74.9 | -171.6 | -170.3 | 5.8 | 0 | 0 | 0 | 112.3 | T276 A280 V281 | T276-N278 PolarHBondContact O-N 2.9Å; N278-A280 PolarHBondContact O-N 2.62Å; N278-A280 WeakPolarHBondContact OD1-CB 3.33Å; N278-V281 HydrophobicContact CB-CG2 4.46Å; N278-V281 PolarHBondContact O-N 3.11Å; N278-V281 VanDerWaalsContact O-N 3.08Å | ||
| 279 | F | 51.8 | Low | 48.9 | Very low | 82 Ų | 82 | 104.7 Ų | 104.7 | 36% | 0.36 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.2 | -19.2 | 179.8 | -65.2 | -68.3 | 0 | 0 | 0 | 114.9 | P277 V281 I282 L283 | P277-F279 VanDerWaalsContact C-N 3.35Å; P277-F279 HydrophobicContact CB-CE2 4.38Å; P277-F279 HydrophobicContact CB-CZ 4.31Å; P277-F279 HydrophobicContact CG-CD2 4.48Å; P277-F279 HydrophobicContact CG-CE2 3.71Å; P277-F279 HydrophobicContact CG-CZ 3.77Å; P277-F279 WeakPolarHBondContact O-CD2 3.45Å; P277-F279 PolarHBondContact O-N 2.96Å; F279-V281 PolarHBondContact O-N 3.27Å; F279-I282 HydrophobicContact CD1-CD1 4.17Å; F279-I282 PolarHBondContact O-N 3.29Å; F279-L283 PolarHBondContact O-N 2.94Å |
| 280 | A | 54.4 | Low | 49.1 | Very low | 60 Ų | 60 | 105.8 Ų | 105.8 | 50% | 0.496 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -59.5 | -26.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N278 I282 A284 | N278-A280 PolarHBondContact O-N 2.62Å; N278-A280 WeakPolarHBondContact OD1-CB 3.33Å; A280-I282 VanDerWaalsContact C-N 3.34Å; A280-A284 VanDerWaalsContact O-CB 3.22Å; A280-A284 WeakPolarHBondContact O-CB 3.49Å; A280-A284 PolarHBondContact O-N 3.22Å |
| 281 | V | 51.4 | Low | 48.8 | Very low | 93 Ų | 93 | 106.4 Ų | 106.4 | 56% | 0.564 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.2 | -35.6 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | N278 F279 A285 | N278-V281 HydrophobicContact CB-CG2 4.46Å; N278-V281 PolarHBondContact O-N 3.11Å; N278-V281 VanDerWaalsContact O-N 3.08Å; F279-V281 PolarHBondContact O-N 3.27Å; V281-A285 WeakPolarHBondContact O-CB 3.29Å; V281-A285 PolarHBondContact O-N 3.33Å |
| 282 | I | 48.4 | Very low | 48.7 | Very low | 91 Ų | 91 | 102.6 Ų | 102.6 | 47% | 0.467 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.4 | -42.6 | -179.4 | -55.6 | -175.7 | 0 | 0 | 0 | 110.4 | F279 A280 | F279-I282 HydrophobicContact CD1-CD1 4.17Å; F279-I282 PolarHBondContact O-N 3.29Å; A280-I282 VanDerWaalsContact C-N 3.34Å |
| 283 | L | 48.3 | Very low | 48.3 | Very low | 68 Ų | 68 | 98.1 Ų | 98.1 | 36% | 0.356 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.3 | -45.7 | 174.1 | -80.9 | 148.9 | 0 | 0 | 0 | 111.8 | F279 A285 L326 | F279-L283 PolarHBondContact O-N 2.94Å; L283-A285 VanDerWaalsContact C-N 3.34Å; L283-A285 PolarHBondContact O-N 3.02Å; L283-L326 HydrophobicContact CD2-CD1 3.82Å; L283-L326 HydrophobicContact CG-CD1 4.35Å |
| 284 | A | 52.8 | Low | 48.1 | Very low | 83 Ų | 83 | 101.5 Ų | 101.5 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.8 | -22.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A280 | A280-A284 VanDerWaalsContact O-CB 3.22Å; A280-A284 WeakPolarHBondContact O-CB 3.49Å; A280-A284 PolarHBondContact O-N 3.22Å |
| 285 | A | 50.5 | Low | 47.5 | Very low | 73 Ų | 73 | 95.9 Ų | 95.9 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -79.4 | -26 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | V281 L283 | V281-A285 WeakPolarHBondContact O-CB 3.29Å; V281-A285 PolarHBondContact O-N 3.33Å; L283-A285 VanDerWaalsContact C-N 3.34Å; L283-A285 PolarHBondContact O-N 3.02Å |
| 286 | N | 48.5 | Very low | 47.8 | Very low | 141 Ų | 141 | 95.4 Ų | 95.4 | 75% | 0.754 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -116.1 | 2.9 | -162.6 | -85.1 | 17.6 | 0 | 0 | 0 | 116.2 | ||
| 287 | G | 39.2 | Very low | 47.9 | Very low | 56 Ų | 56 | 94.5 Ų | 94.5 | 58% | 0.577 | 57% | 0.573 | S | S | * | * | trans | -161.9 | 133.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 288 | S | 38.7 | Very low | 48.6 | Very low | 82 Ų | 82 | 92.8 Ų | 92.8 | 57% | 0.573 | 56% | 0.563 | S | S | * | * | trans | -64.2 | 146.7 | 162.3 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | E290 | S288-E290 PolarHBondContact O-N 2.97Å; S288-E290 PolarHBondContact OG-OE2 2.87Å | ||
| 289 | A | 42.1 | Very low | 49.5 | Very low | 93 Ų | 93 | 88 Ų | 88 | 77% | 0.769 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 0.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S292 | A289-S292 PolarHBondContact O-OG 3.18Š|
| 290 | E | 46.9 | Very low | 50.3 | Low | 165 Ų | 165 | 86 Ų | 86 | 77% | 0.771 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 0.4 | -171.1 | -57.8 | 162.6 | 124.2 | 0 | 0 | 113.7 | S288 | S288-E290 PolarHBondContact O-N 2.97Å; S288-E290 PolarHBondContact OG-OE2 2.87Å |
| 291 | Q | 42.4 | Very low | 51 | Low | 171 Ų | 171 | 87.5 Ų | 87.5 | 80% | 0.799 | 53% | 0.532 | S | S | * | . | trans | -110.1 | 27 | 174.4 | -63.5 | -166.3 | 16.5 | 0 | 0 | 113.3 | S293 | Q291-S293 PolarHBondContact O-N 3.36Š| ||
| 292 | S | 41.6 | Very low | 51.6 | Low | 103 Ų | 103 | 83.7 Ų | 83.7 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | trans | -70.8 | 42 | 164 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | A289 H294 | A289-S292 PolarHBondContact O-OG 3.18Å; S292-H294 VanDerWaalsContact C-N 3.32Å; S292-H294 PolarHBondContact O-N 3.39Å | ||
| 293 | S | 42.3 | Very low | 52.5 | Low | 96 Ų | 96 | 84.6 Ų | 84.6 | 67% | 0.671 | 51% | 0.506 | S | S | * | . | trans | -66.1 | 95.8 | 168.5 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | Q291 C295 | Q291-S293 PolarHBondContact O-N 3.36Å; S293-C295 PolarHBondContact O-N 2.92Å | ||
| 294 | H | 42.5 | Very low | 53.5 | Low | 157 Ų | 157 | 89 Ų | 89 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | trans | -32.2 | 99.3 | -178.2 | 175.2 | -128.6 | 0 | 0 | 0 | 112.1 | S292 T296 | S292-H294 VanDerWaalsContact C-N 3.32Å; S292-H294 PolarHBondContact O-N 3.39Å; H294-T296 VanDerWaalsContact C-N 3.3Å; H294-T296 VanDerWaalsContact CE1-CG2 3.41Å; H294-T296 WeakPolarHBondContact CE1-CG2 3.44Å; H294-T296 WeakPolarHBondContact ND1-CG2 3.5Å; H294-T296 PolarHBondContact O-N 2.9Å | ||
| 295 | C | 46.8 | Very low | 53.9 | Low | 34 Ų | 34 | 89.3 Ų | 89.3 | 23% | 0.23 | 51% | 0.506 | C | S | . | . | trans | -81.4 | 84.3 | -179.1 | -168.3 | 0 | 0 | 0 | 0 | 107.4 | S293 M297 | S293-C295 PolarHBondContact O-N 2.92Å; C295-M297 PolarHBondContact O-N 2.81Å | ||
| 296 | T | 58.7 | Low | 54.4 | Low | 91 Ų | 91 | 87 Ų | 87 | 56% | 0.558 | 49% | 0.486 | S | S | * | . | trans | -55.9 | -13.3 | 177 | 55 | 0 | 0 | 0 | 0 | 114 | H294 S298 | H294-T296 VanDerWaalsContact C-N 3.3Å; H294-T296 VanDerWaalsContact CE1-CG2 3.41Å; H294-T296 WeakPolarHBondContact CE1-CG2 3.44Å; H294-T296 WeakPolarHBondContact ND1-CG2 3.5Å; H294-T296 PolarHBondContact O-N 2.9Å; T296-S298 PolarHBondContact O-N 3.05Å | ||
| 297 | M | 60 | Low | 55.1 | Low | 67 Ų | 67 | 87.4 Ų | 87.4 | 33% | 0.33 | 48% | 0.483 | S | S | . | . | trans | -62 | 119.4 | -176.8 | -54.7 | -73.2 | 82.4 | 0 | 0 | 110.3 | C295 E301 L302 | C295-M297 PolarHBondContact O-N 2.81Å; M297-E301 WeakPolarHBondContact CA-OE2 3.33Å; M297-L302 HydrophobicContact CB-CG 4.22Å | ||
| 298 | S | 66.4 | Low | 56.2 | Low | 26 Ų | 26 | 91 Ų | 91 | 18% | 0.182 | 49% | 0.485 | C | S | . | . | trans | -55.8 | 154 | 174.3 | 150.3 | 0 | 0 | 0 | 0 | 111.5 | D55 T296 S300 E301 L302 | D55-S298 WeakPolarHBondContact OD1-CB 3.29Å; D55-S298 PolarHBondContact OD1-OG 2.7Å; D55-S298 PolarHBondContact OD2-OG 2.9Å; T296-S298 PolarHBondContact O-N 3.05Å; S298-S300 PolarHBondContact O-N 2.96Å; S298-S300 WeakPolarHBondContact OG-CB 3.43Å; S298-S300 PolarHBondContact OG-N 3.43Å; S298-E301 PolarHBondContact N-OE2 2.86Å; S298-E301 PolarHBondContact O-N 2.89Å; S298-E301 VanDerWaalsContact O-N 3.11Å; S298-E301 PolarHBondContact OG-N 2.98Å; S298-L302 PolarHBondContact O-N 2.98Å | ||
| 299 | A | 65 | Low | 57.2 | Low | 16 Ų | 16 | 90 Ų | 90 | 13% | 0.132 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -57.8 | -34.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R303 L328 | A299-R303 VanDerWaalsContact O-CG 3.31Å; A299-R303 WeakPolarHBondContact O-CG 3.2Å; A299-R303 PolarHBondContact O-N 3.37Å; A299-R303 PolarHBondContact O-NE 3.36Å; A299-L328 HydrophobicContact CB-CD2 3.82Å |
| 300 | S | 69.8 | Low | 58.2 | Low | 41 Ų | 41 | 92.8 Ų | 92.8 | 29% | 0.287 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.1 | -35 | 175.1 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | D55 S298 R304 | D55-S300 VanDerWaalsContact OD2-CB 3.29Å; D55-S300 WeakPolarHBondContact OD2-CB 3.42Å; D55-S300 PolarHBondContact OD2-N 3.46Å; D55-S300 PolarHBondContact OD2-OG 2.99Å; S298-S300 PolarHBondContact O-N 2.96Å; S298-S300 WeakPolarHBondContact OG-CB 3.43Å; S298-S300 PolarHBondContact OG-N 3.43Å; S300-R304 WeakPolarHBondContact O-CG 3.39Å; S300-R304 PolarHBondContact O-N 3.16Å; S300-R304 VanDerWaalsContact O-N 3.11Å |
| 301 | E | 68.8 | Low | 59.1 | Low | 90 Ų | 90 | 93 Ų | 93 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 174.3 | -74.3 | -179.7 | 131.4 | 0 | 0 | 112.3 | M297 S298 R303 R304 M305 | M297-E301 WeakPolarHBondContact CA-OE2 3.33Å; S298-E301 PolarHBondContact N-OE2 2.86Å; S298-E301 PolarHBondContact O-N 2.89Å; S298-E301 VanDerWaalsContact O-N 3.11Å; S298-E301 PolarHBondContact OG-N 2.98Å; E301-R303 PolarHBondContact O-N 3.01Å; E301-R304 WeakPolarHBondContact O-CB 3.39Å; E301-R304 PolarHBondContact O-N 3.13Å; E301-R304 VanDerWaalsContact O-N 3.17Å; E301-M305 WeakPolarHBondContact O-CG 3.18Å; E301-M305 PolarHBondContact O-N 2.85Å |
| 302 | L | 63 | Low | 60.4 | Low | 14 Ų | 14 | 86.1 Ų | 86.1 | 7% | 0.073 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.6 | -80.6 | 168.7 | 0 | 0 | 0 | 112 | M297 S298 R304 M305 S306 E324 L327 | M297-L302 HydrophobicContact CB-CG 4.22Å; S298-L302 PolarHBondContact O-N 2.98Å; L302-R304 VanDerWaalsContact C-N 3.26Å; L302-R304 PolarHBondContact O-N 3.17Å; L302-M305 PolarHBondContact O-N 3.2Å; L302-S306 WeakPolarHBondContact O-CB 3.32Å; L302-S306 PolarHBondContact O-N 2.9Å; L302-E324 HydrophobicContact CB-CG 4.08Å; L302-E324 HydrophobicContact CD1-CG 4.46Å; L302-L327 HydrophobicContact CD1-CB 4.38Å; L302-L327 HydrophobicContact CD1-CD2 3.48Å; L302-L327 VanDerWaalsContact CD1-CD2 3.48Å |
| 303 | R | 68 | Low | 62.4 | Low | 110 Ų | 110 | 87.3 Ų | 87.3 | 42% | 0.415 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57 | -39.7 | 174.2 | -68.8 | 173.1 | -144.9 | 153.6 | 2.2 | 111.8 | A299 E301 S306 Q307 | A299-R303 VanDerWaalsContact O-CG 3.31Å; A299-R303 WeakPolarHBondContact O-CG 3.2Å; A299-R303 PolarHBondContact O-N 3.37Å; A299-R303 PolarHBondContact O-NE 3.36Å; E301-R303 PolarHBondContact O-N 3.01Å; R303-S306 WeakPolarHBondContact O-CA 3.44Å; R303-S306 WeakPolarHBondContact O-CB 3.32Å; R303-S306 PolarHBondContact O-N 3.01Å; R303-Q307 PolarHBondContact O-N 3.06Å |
| 304 | R | 70.3 | Confident | 64.4 | Low | 161 Ų | 161 | 89.2 Ų | 89.2 | 61% | 0.608 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.3 | -50.2 | 177.5 | -78.3 | -170.4 | 59.2 | -167.2 | -12.1 | 112.7 | S300 E301 L302 S306 Q307 E308 | S300-R304 WeakPolarHBondContact O-CG 3.39Å; S300-R304 PolarHBondContact O-N 3.16Å; S300-R304 VanDerWaalsContact O-N 3.11Å; E301-R304 WeakPolarHBondContact O-CB 3.39Å; E301-R304 PolarHBondContact O-N 3.13Å; E301-R304 VanDerWaalsContact O-N 3.17Å; L302-R304 VanDerWaalsContact C-N 3.26Å; L302-R304 PolarHBondContact O-N 3.17Å; R304-S306 PolarHBondContact O-N 3.39Å; R304-Q307 WeakPolarHBondContact O-CB 3.35Å; R304-Q307 PolarHBondContact O-N 3.45Å; R304-E308 IonicContact NH2-OE1 2.69Å; R304-E308 PolarHBondContact NH2-OE1 2.82Å; R304-E308 PolarHBondContact O-N 2.88Å |
| 305 | M | 59.6 | Low | 66.4 | Low | 88 Ų | 88 | 84.7 Ų | 84.7 | 43% | 0.433 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -53.3 | -37.7 | 169.1 | -65.6 | -177.6 | 75.9 | 0 | 0 | 110.1 | E301 L302 Q307 E308 D309 R320 | E301-M305 WeakPolarHBondContact O-CG 3.18Å; E301-M305 PolarHBondContact O-N 2.85Å; L302-M305 PolarHBondContact O-N 3.2Å; M305-Q307 PolarHBondContact O-N 3.4Å; M305-E308 PolarHBondContact O-N 3Å; M305-E308 VanDerWaalsContact O-N 3.12Å; M305-D309 PolarHBondContact O-N 3.45Å; M305-R320 PolarHBondContact O-NH1 3.34Å |
| 306 | S | 62.7 | Low | 68.3 | Low | 24 Ų | 24 | 87 Ų | 87 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -56.7 | -35.9 | -178.9 | -131 | 0 | 0 | 0 | 0 | 112.9 | L302 R303 R304 R320 E324 | L302-S306 WeakPolarHBondContact O-CB 3.32Å; L302-S306 PolarHBondContact O-N 2.9Å; R303-S306 WeakPolarHBondContact O-CA 3.44Å; R303-S306 WeakPolarHBondContact O-CB 3.32Å; R303-S306 PolarHBondContact O-N 3.01Å; R304-S306 PolarHBondContact O-N 3.39Å; S306-R320 PolarHBondContact O-NH2 2.83Å; S306-R320 PolarHBondContact OG-NH2 3.43Å; S306-E324 PolarHBondContact OG-OE2 3.18Å |
| 307 | Q | 63.2 | Low | 69.5 | Low | 150 Ų | 150 | 85.6 Ų | 85.6 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -84.8 | -24 | -179.6 | -166.1 | 170.4 | 7.9 | 0 | 0 | 114.4 | R303 R304 M305 | R303-Q307 PolarHBondContact O-N 3.06Å; R304-Q307 WeakPolarHBondContact O-CB 3.35Å; R304-Q307 PolarHBondContact O-N 3.45Å; M305-Q307 PolarHBondContact O-N 3.4Å |
| 308 | E | 60.5 | Low | 70.7 | Confident | 131 Ų | 131 | 85.7 Ų | 85.7 | 61% | 0.612 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -82.5 | -32.7 | -176.6 | -69.8 | 171.5 | -165.9 | 0 | 0 | 112.6 | R304 M305 Q310 | R304-E308 IonicContact NH2-OE1 2.69Å; R304-E308 PolarHBondContact NH2-OE1 2.82Å; R304-E308 PolarHBondContact O-N 2.88Å; M305-E308 PolarHBondContact O-N 3Å; M305-E308 VanDerWaalsContact O-N 3.12Å; E308-Q310 PolarHBondContact O-N 3.22Å |
| 309 | D | 59.7 | Low | 71.7 | Confident | 62 Ų | 62 | 90.8 Ų | 90.8 | 33% | 0.332 | 45% | 0.448 | S | S | . | . | trans | -79.4 | 79.9 | 171.3 | -71.2 | -47 | 0 | 0 | 0 | 112.5 | M305 A312 K317 R320 | M305-D309 PolarHBondContact O-N 3.45Å; D309-A312 HydrophobicContact CB-CB 3.79Å; D309-K317 PolarHBondContact O-NZ 3.19Å; D309-R320 VanDerWaalsContact CB-NH1 3.28Å; D309-R320 VanDerWaalsContact CG-NH1 3.35Å; D309-R320 IonicContact OD2-CZ 3.99Å; D309-R320 IonicContact OD2-NE 2.76Å; D309-R320 IonicContact OD2-NH1 2.8Å; D309-R320 PolarHBondContact OD2-NH1 2.8Å | ||
| 310 | Q | 63.1 | Low | 72.6 | Confident | 151 Ų | 151 | 91.8 Ų | 91.8 | 71% | 0.706 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -77 | -39.5 | 163.8 | -68.2 | -87.6 | -8 | 0 | 0 | 111.4 | E308 | E308-Q310 PolarHBondContact O-N 3.22Š|
| 311 | D | 67.7 | Low | 73.4 | Confident | 169 Ų | 169 | 93.6 Ų | 93.6 | 90% | 0.904 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -92.8 | 3.3 | -170.3 | -62.6 | -44.1 | 0 | 0 | 0 | 115 | ||
| 312 | A | 68.9 | Low | 74.2 | Confident | 27 Ų | 27 | 94 Ų | 94 | 22% | 0.223 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -77.9 | 139.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D309 | D309-A312 HydrophobicContact CB-CB 3.79Š|
| 313 | D | 83 | Confident | 75.3 | Confident | 129 Ų | 129 | 98.9 Ų | 98.9 | 69% | 0.69 | 48% | 0.476 | S | S | * | . | trans | -48.9 | 139.4 | 175.2 | -85.1 | -38.2 | 0 | 0 | 0 | 112.4 | S315 V316 K317 | D313-S315 PolarHBondContact O-N 3.44Å; D313-S315 VanDerWaalsContact O-N 3.08Å; D313-V316 HydrophobicContact CB-CB 4.48Å; D313-V316 HydrophobicContact CB-CG2 4.08Å; D313-V316 WeakPolarHBondContact O-CA 3.37Å; D313-V316 WeakPolarHBondContact O-CB 3.44Å; D313-V316 PolarHBondContact O-N 3.34Å; D313-K317 PolarHBondContact O-N 3.32Å | ||
| 314 | F | 84.4 | Confident | 75.8 | Confident | 136 Ų | 136 | 94.5 Ų | 94.5 | 60% | 0.596 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -52.8 | -37.4 | -178 | -178.8 | -90.1 | 0 | 0 | 0 | 113.2 | K317 Q318 | F314-K317 PolarHBondContact O-N 3.17Å; F314-Q318 HydrophobicContact CE1-CB 4.48Å; F314-Q318 VanDerWaalsContact O-CB 3.26Å; F314-Q318 WeakPolarHBondContact O-CB 3.28Å; F314-Q318 PolarHBondContact O-N 3.11Å |
| 315 | S | 85.3 | Confident | 76.6 | Confident | 61 Ų | 61 | 89.7 Ų | 89.7 | 43% | 0.427 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.7 | -34 | 177.2 | -170.8 | 0 | 0 | 0 | 0 | 113.2 | D313 K319 | D313-S315 PolarHBondContact O-N 3.44Å; D313-S315 VanDerWaalsContact O-N 3.08Å; S315-K319 WeakPolarHBondContact O-CB 3.32Å; S315-K319 VanDerWaalsContact O-CG 3.31Å; S315-K319 WeakPolarHBondContact O-CG 3.44Å; S315-K319 PolarHBondContact O-N 2.79Å; S315-K319 VanDerWaalsContact O-N 3.09Å |
| 316 | V | 86.2 | Confident | 77.8 | Confident | 83 Ų | 83 | 89 Ų | 89 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.7 | -46.8 | 174.1 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | D313 Q318 K319 R320 | D313-V316 HydrophobicContact CB-CB 4.48Å; D313-V316 HydrophobicContact CB-CG2 4.08Å; D313-V316 WeakPolarHBondContact O-CA 3.37Å; D313-V316 WeakPolarHBondContact O-CB 3.44Å; D313-V316 PolarHBondContact O-N 3.34Å; V316-Q318 VanDerWaalsContact C-N 3.35Å; V316-Q318 PolarHBondContact O-N 3.43Å; V316-K319 PolarHBondContact O-N 2.91Å; V316-R320 WeakPolarHBondContact O-CB 3.39Å; V316-R320 PolarHBondContact O-N 3.5Å |
| 317 | K | 84.1 | Confident | 78.7 | Confident | 62 Ų | 62 | 89.6 Ų | 89.6 | 27% | 0.27 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 177.6 | -165.2 | 158.4 | -172 | 156.1 | 0 | 112.2 | D309 D313 F314 L321 | D309-K317 PolarHBondContact O-NZ 3.19Å; D313-K317 PolarHBondContact O-N 3.32Å; F314-K317 PolarHBondContact O-N 3.17Å; K317-L321 HydrophobicContact CG-CD1 4.23Å; K317-L321 WeakPolarHBondContact O-CB 3.49Å; K317-L321 VanDerWaalsContact O-CG 3.27Å; K317-L321 WeakPolarHBondContact O-CG 3.37Å; K317-L321 PolarHBondContact O-N 2.93Å |
| 318 | Q | 85.2 | Confident | 79.8 | Confident | 68 Ų | 68 | 85.6 Ų | 85.6 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.4 | -56.1 | 173.1 | 176.8 | 178.9 | -16.5 | 0 | 0 | 111.6 | F314 V316 R320 L321 E322 | F314-Q318 HydrophobicContact CE1-CB 4.48Å; F314-Q318 VanDerWaalsContact O-CB 3.26Å; F314-Q318 WeakPolarHBondContact O-CB 3.28Å; F314-Q318 PolarHBondContact O-N 3.11Å; V316-Q318 VanDerWaalsContact C-N 3.35Å; V316-Q318 PolarHBondContact O-N 3.43Å; Q318-R320 PolarHBondContact O-N 3.34Å; Q318-L321 PolarHBondContact O-N 2.89Å; Q318-E322 HydrophobicContact CG-CG 4.35Å; Q318-E322 VanDerWaalsContact CG-OE1 3.26Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.45Å; Q318-E322 PolarHBondContact NE2-OE1 3.38Å; Q318-E322 WeakPolarHBondContact O-CG 3.22Å; Q318-E322 PolarHBondContact O-N 3.43Å |
| 319 | K | 86.3 | Confident | 81 | Confident | 134 Ų | 134 | 81.6 Ų | 81.6 | 58% | 0.583 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60 | -33.8 | -178.8 | -73.3 | 170.4 | -179.5 | 172 | 0 | 112.9 | S315 V316 K323 | S315-K319 WeakPolarHBondContact O-CB 3.32Å; S315-K319 VanDerWaalsContact O-CG 3.31Å; S315-K319 WeakPolarHBondContact O-CG 3.44Å; S315-K319 PolarHBondContact O-N 2.79Å; S315-K319 VanDerWaalsContact O-N 3.09Å; V316-K319 PolarHBondContact O-N 2.91Å; K319-K323 PolarHBondContact O-N 3Å; K319-K323 VanDerWaalsContact O-N 3.08Å |
| 320 | R | 83.9 | Confident | 82.1 | Confident | 36 Ų | 36 | 80.9 Ų | 80.9 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 173.7 | -174.1 | -170.7 | 66 | 156.7 | 9.2 | 111.8 | M305 S306 D309 V316 Q318 E322 K323 E324 | M305-R320 PolarHBondContact O-NH1 3.34Å; S306-R320 PolarHBondContact O-NH2 2.83Å; S306-R320 PolarHBondContact OG-NH2 3.43Å; D309-R320 VanDerWaalsContact CB-NH1 3.28Å; D309-R320 VanDerWaalsContact CG-NH1 3.35Å; D309-R320 IonicContact OD2-CZ 3.99Å; D309-R320 IonicContact OD2-NE 2.76Å; D309-R320 IonicContact OD2-NH1 2.8Å; D309-R320 PolarHBondContact OD2-NH1 2.8Å; V316-R320 WeakPolarHBondContact O-CB 3.39Å; V316-R320 PolarHBondContact O-N 3.5Å; Q318-R320 PolarHBondContact O-N 3.34Å; R320-E322 VanDerWaalsContact C-N 3.34Å; R320-K323 PolarHBondContact O-N 3.47Å; R320-E324 WeakPolarHBondContact O-CB 3.36Å; R320-E324 PolarHBondContact O-N 2.96Å |
| 321 | L | 87.2 | Confident | 83.2 | Confident | 79 Ų | 79 | 77.8 Ų | 77.8 | 41% | 0.414 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 175.5 | -73.9 | 166.1 | 0 | 0 | 0 | 112.3 | K317 Q318 E324 A325 | K317-L321 HydrophobicContact CG-CD1 4.23Å; K317-L321 WeakPolarHBondContact O-CB 3.49Å; K317-L321 VanDerWaalsContact O-CG 3.27Å; K317-L321 WeakPolarHBondContact O-CG 3.37Å; K317-L321 PolarHBondContact O-N 2.93Å; Q318-L321 PolarHBondContact O-N 2.89Å; L321-E324 PolarHBondContact O-N 3.33Å; L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.44Å; L321-A325 PolarHBondContact O-N 2.87Å |
| 322 | E | 86.8 | Confident | 83.9 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 172.3 | -72.2 | 166.3 | 174.1 | 0 | 0 | 111.2 | Q318 R320 L326 | Q318-E322 HydrophobicContact CG-CG 4.35Å; Q318-E322 VanDerWaalsContact CG-OE1 3.26Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.45Å; Q318-E322 PolarHBondContact NE2-OE1 3.38Å; Q318-E322 WeakPolarHBondContact O-CG 3.22Å; Q318-E322 PolarHBondContact O-N 3.43Å; R320-E322 VanDerWaalsContact C-N 3.34Å; E322-L326 WeakPolarHBondContact O-CB 3.49Å; E322-L326 PolarHBondContact O-N 2.87Å |
| 323 | K | 85.7 | Confident | 84.8 | Confident | 115 Ų | 115 | 75.4 Ų | 75.4 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 173.3 | -171.8 | -177 | 177.5 | -173.1 | 0 | 112.5 | K319 R320 L326 L327 | K319-K323 PolarHBondContact O-N 3Å; K319-K323 VanDerWaalsContact O-N 3.08Å; R320-K323 PolarHBondContact O-N 3.47Å; K323-L326 PolarHBondContact O-N 3.42Å; K323-L327 PolarHBondContact O-N 3.05Å |
| 324 | E | 78.3 | Confident | 84.8 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 177 | -178 | 174 | 179.5 | 0 | 0 | 110.6 | L302 S306 R320 L321 L326 L327 L328 | L302-E324 HydrophobicContact CB-CG 4.08Å; L302-E324 HydrophobicContact CD1-CG 4.46Å; S306-E324 PolarHBondContact OG-OE2 3.18Å; R320-E324 WeakPolarHBondContact O-CB 3.36Å; R320-E324 PolarHBondContact O-N 2.96Å; L321-E324 PolarHBondContact O-N 3.33Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 2.97Å; E324-L327 PolarHBondContact O-N 3.22Å; E324-L328 HydrophobicContact CG-CD1 4.08Å; E324-L328 WeakPolarHBondContact O-CB 3.31Å; E324-L328 VanDerWaalsContact O-CG 3.27Å; E324-L328 WeakPolarHBondContact O-CG 3.29Å; E324-L328 PolarHBondContact O-N 3.37Å |
| 325 | A | 86.6 | Confident | 84.9 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L321 L329 | L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.44Å; L321-A325 PolarHBondContact O-N 2.87Å; A325-L329 WeakPolarHBondContact O-CB 3.45Å; A325-L329 PolarHBondContact O-N 3.49Å |
| 326 | L | 84.8 | Confident | 85 | Confident | 74 Ų | 74 | 68 Ų | 68 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 176.9 | -173.1 | 64 | 0 | 0 | 0 | 112.2 | L283 E322 K323 E324 L329 T330 | L283-L326 HydrophobicContact CD2-CD1 3.82Å; L283-L326 HydrophobicContact CG-CD1 4.35Å; E322-L326 WeakPolarHBondContact O-CB 3.49Å; E322-L326 PolarHBondContact O-N 2.87Å; K323-L326 PolarHBondContact O-N 3.42Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 2.97Å; L326-L329 PolarHBondContact O-N 3.25Å; L326-T330 PolarHBondContact O-N 3.14Å; L326-T330 VanDerWaalsContact O-N 3.08Å; L326-T330 PolarHBondContact O-OG1 3.08Å |
| 327 | L | 83 | Confident | 85 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.5 | -169.7 | 72 | 0 | 0 | 0 | 111.3 | L302 K323 E324 L329 T330 K331 | L302-L327 HydrophobicContact CD1-CB 4.38Å; L302-L327 HydrophobicContact CD1-CD2 3.48Å; L302-L327 VanDerWaalsContact CD1-CD2 3.48Å; K323-L327 PolarHBondContact O-N 3.05Å; E324-L327 PolarHBondContact O-N 3.22Å; L327-L329 VanDerWaalsContact C-N 3.3Å; L327-L329 PolarHBondContact O-N 2.98Å; L327-T330 PolarHBondContact O-N 2.87Å; L327-K331 HydrophobicContact CG-CG 4.47Å; L327-K331 WeakPolarHBondContact O-CB 3.33Å; L327-K331 WeakPolarHBondContact O-CG 3.34Å; L327-K331 PolarHBondContact O-N 3.45Å |
| 328 | L | 84.5 | Confident | 85.3 | Confident | 65 Ų | 65 | 71 Ų | 71 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 175.8 | -70.3 | 170.6 | 0 | 0 | 0 | 112 | A299 E324 K331 A332 | A299-L328 HydrophobicContact CB-CD2 3.82Å; E324-L328 HydrophobicContact CG-CD1 4.08Å; E324-L328 WeakPolarHBondContact O-CB 3.31Å; E324-L328 VanDerWaalsContact O-CG 3.27Å; E324-L328 WeakPolarHBondContact O-CG 3.29Å; E324-L328 PolarHBondContact O-N 3.37Å; L328-K331 PolarHBondContact O-N 3.38Å; L328-A332 VanDerWaalsContact O-CB 3.28Å; L328-A332 WeakPolarHBondContact O-CB 3.38Å; L328-A332 PolarHBondContact O-N 2.97Å |
| 329 | L | 85.5 | Confident | 85.6 | Confident | 48 Ų | 48 | 70 Ų | 70 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 174 | 179.8 | 60.7 | 0 | 0 | 0 | 112.1 | A325 L326 L327 A332 Q333 | A325-L329 WeakPolarHBondContact O-CB 3.45Å; A325-L329 PolarHBondContact O-N 3.49Å; L326-L329 PolarHBondContact O-N 3.25Å; L327-L329 VanDerWaalsContact C-N 3.3Å; L327-L329 PolarHBondContact O-N 2.98Å; L329-A332 PolarHBondContact O-N 3.06Å; L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 2.92Å; L329-Q333 VanDerWaalsContact O-N 3.14Å |
| 330 | T | 83.1 | Confident | 85.7 | Confident | 46 Ų | 46 | 70 Ų | 70 | 28% | 0.282 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 174.7 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | L326 L327 A332 Q333 E334 | L326-T330 PolarHBondContact O-N 3.14Å; L326-T330 VanDerWaalsContact O-N 3.08Å; L326-T330 PolarHBondContact O-OG1 3.08Å; L327-T330 PolarHBondContact O-N 2.87Å; T330-A332 VanDerWaalsContact C-N 3.31Å; T330-A332 PolarHBondContact O-N 3.38Å; T330-Q333 WeakPolarHBondContact O-CB 3.47Å; T330-Q333 PolarHBondContact O-N 2.89Å; T330-E334 PolarHBondContact O-N 3.26Å |
| 331 | K | 86.7 | Confident | 85.9 | Confident | 86 Ų | 86 | 71 Ų | 71 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 177.7 | -72.3 | -74.6 | 160.9 | -160.4 | 0 | 112.6 | L327 L328 Q333 E334 A335 | L327-K331 HydrophobicContact CG-CG 4.47Å; L327-K331 WeakPolarHBondContact O-CB 3.33Å; L327-K331 WeakPolarHBondContact O-CG 3.34Å; L327-K331 PolarHBondContact O-N 3.45Å; L328-K331 PolarHBondContact O-N 3.38Å; K331-Q333 VanDerWaalsContact C-N 3.35Å; K331-E334 WeakPolarHBondContact CD-OE2 3.27Å; K331-E334 WeakPolarHBondContact CE-OE2 3.41Å; K331-E334 IonicContact NZ-OE1 3.47Å; K331-E334 IonicContact NZ-OE2 3.52Å; K331-E334 PolarHBondContact NZ-OE2 3.23Å; K331-E334 PolarHBondContact O-N 2.94Å; K331-A335 VanDerWaalsContact O-CB 3.28Å; K331-A335 WeakPolarHBondContact O-CB 3.24Å; K331-A335 PolarHBondContact O-N 3.03Å |
| 332 | A | 83.5 | Confident | 86 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.9 | -34.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L328 L329 T330 A336 | L328-A332 VanDerWaalsContact O-CB 3.28Å; L328-A332 WeakPolarHBondContact O-CB 3.38Å; L328-A332 PolarHBondContact O-N 2.97Å; L329-A332 PolarHBondContact O-N 3.06Å; T330-A332 VanDerWaalsContact C-N 3.31Å; T330-A332 PolarHBondContact O-N 3.38Å; A332-A336 VanDerWaalsContact O-CB 3.22Å; A332-A336 WeakPolarHBondContact O-CB 3.27Å; A332-A336 PolarHBondContact O-N 3.46Å |
| 333 | Q | 86.3 | Confident | 86.1 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.6 | -43.1 | 174.3 | -69.5 | 175.2 | 22.4 | 0 | 0 | 111.9 | L329 T330 K331 A336 H337 | L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 2.92Å; L329-Q333 VanDerWaalsContact O-N 3.14Å; T330-Q333 WeakPolarHBondContact O-CB 3.47Å; T330-Q333 PolarHBondContact O-N 2.89Å; K331-Q333 VanDerWaalsContact C-N 3.35Å; Q333-A336 PolarHBondContact O-N 3.01Å; Q333-H337 WeakPolarHBondContact O-CB 3.46Å; Q333-H337 PolarHBondContact O-N 3.29Å |
| 334 | E | 84.4 | Confident | 86.1 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 44% | 0.444 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59 | -49.9 | 173.6 | -69.8 | 171.3 | -168.4 | 0 | 0 | 111.1 | T330 K331 A336 H337 M338 | T330-E334 PolarHBondContact O-N 3.26Å; K331-E334 WeakPolarHBondContact CD-OE2 3.27Å; K331-E334 WeakPolarHBondContact CE-OE2 3.41Å; K331-E334 IonicContact NZ-OE1 3.47Å; K331-E334 IonicContact NZ-OE2 3.52Å; K331-E334 PolarHBondContact NZ-OE2 3.23Å; K331-E334 PolarHBondContact O-N 2.94Å; E334-A336 PolarHBondContact O-N 2.95Å; E334-H337 PolarHBondContact O-N 3.22Å; E334-M338 WeakPolarHBondContact O-CB 3.28Å; E334-M338 PolarHBondContact O-N 3.38Å |
| 335 | A | 85.1 | Confident | 86.4 | Confident | 17 Ų | 17 | 73 Ų | 73 | 14% | 0.14 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K331 M338 Q339 | K331-A335 VanDerWaalsContact O-CB 3.28Å; K331-A335 WeakPolarHBondContact O-CB 3.24Å; K331-A335 PolarHBondContact O-N 3.03Å; A335-M338 PolarHBondContact O-N 3.24Å; A335-Q339 VanDerWaalsContact O-CB 3.27Å; A335-Q339 WeakPolarHBondContact O-CB 3.41Å; A335-Q339 PolarHBondContact O-N 3.04Å |
| 336 | A | 87.9 | Confident | 86.2 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A332 Q333 E334 M340 | A332-A336 VanDerWaalsContact O-CB 3.22Å; A332-A336 WeakPolarHBondContact O-CB 3.27Å; A332-A336 PolarHBondContact O-N 3.46Å; Q333-A336 PolarHBondContact O-N 3.01Å; E334-A336 PolarHBondContact O-N 2.95Å; A336-M340 WeakPolarHBondContact O-CB 3.31Å; A336-M340 PolarHBondContact O-N 3.23Å |
| 337 | H | 87.1 | Confident | 85.8 | Confident | 141 Ų | 141 | 75.3 Ų | 75.3 | 65% | 0.653 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.7 | -44.6 | 175.2 | -173.5 | -84.5 | 0 | 0 | 0 | 111.6 | Q333 E334 M340 E341 | Q333-H337 WeakPolarHBondContact O-CB 3.46Å; Q333-H337 PolarHBondContact O-N 3.29Å; E334-H337 PolarHBondContact O-N 3.22Å; H337-M340 PolarHBondContact O-N 3.06Å; H337-E341 PolarHBondContact O-N 3.26Å; H337-E341 VanDerWaalsContact O-N 3.07Å |
| 338 | M | 90 | Very high | 85.1 | Confident | 68 Ų | 68 | 79.1 Ų | 79.1 | 34% | 0.335 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.7 | 179.5 | 171.2 | 58 | 0 | 0 | 112 | F50 E334 A335 M340 E341 V342 | F50-M338 HydrophobicContact CD1-CE 3.39Å; F50-M338 HydrophobicContact CD1-SD 4.44Å; F50-M338 HydrophobicContact CE1-CE 3.29Å; F50-M338 HydrophobicContact CE1-SD 3.74Å; F50-M338 HydrophobicContact CG-CE 4.22Å; F50-M338 HydrophobicContact CZ-CE 4.06Å; F50-M338 HydrophobicContact CZ-SD 4.13Å; E334-M338 WeakPolarHBondContact O-CB 3.28Å; E334-M338 PolarHBondContact O-N 3.38Å; A335-M338 PolarHBondContact O-N 3.24Å; M338-M340 PolarHBondContact O-N 3.41Å; M338-E341 PolarHBondContact O-N 3.37Å; M338-V342 WeakPolarHBondContact O-CG2 3.33Å; M338-V342 PolarHBondContact O-N 2.75Å |
| 339 | Q | 90.2 | Very high | 83.9 | Confident | 46 Ų | 46 | 80 Ų | 80 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 176.9 | 178.5 | 60.5 | 26.6 | 0 | 0 | 111.8 | A335 E341 V342 E343 | A335-Q339 VanDerWaalsContact O-CB 3.27Å; A335-Q339 WeakPolarHBondContact O-CB 3.41Å; A335-Q339 PolarHBondContact O-N 3.04Å; Q339-E341 VanDerWaalsContact C-N 3.29Å; Q339-E341 PolarHBondContact O-N 3.18Å; Q339-V342 PolarHBondContact O-N 3.26Å; Q339-E343 PolarHBondContact NE2-OE1 3.12Å; Q339-E343 WeakPolarHBondContact O-CG 3.48Å; Q339-E343 PolarHBondContact O-N 2.91Å |
| 340 | M | 88.3 | Confident | 82.7 | Confident | 135 Ų | 135 | 80.5 Ų | 80.5 | 67% | 0.665 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61 | -38.6 | 175.8 | -171.5 | -178.8 | -59.3 | 0 | 0 | 112 | A336 H337 M338 R344 | A336-M340 WeakPolarHBondContact O-CB 3.31Å; A336-M340 PolarHBondContact O-N 3.23Å; H337-M340 PolarHBondContact O-N 3.06Å; M338-M340 PolarHBondContact O-N 3.41Å; M340-R344 WeakPolarHBondContact O-CB 3.15Å; M340-R344 PolarHBondContact O-N 3.28Å |
| 341 | E | 89.3 | Confident | 81.4 | Confident | 56 Ų | 56 | 83.6 Ų | 83.6 | 26% | 0.262 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 175.9 | 177.8 | 54.3 | -158.3 | 0 | 0 | 112.4 | H337 M338 Q339 E343 R344 Q345 | H337-E341 PolarHBondContact O-N 3.26Å; H337-E341 VanDerWaalsContact O-N 3.07Å; M338-E341 PolarHBondContact O-N 3.37Å; Q339-E341 VanDerWaalsContact C-N 3.29Å; Q339-E341 PolarHBondContact O-N 3.18Å; E341-E343 VanDerWaalsContact C-N 3.34Å; E341-E343 PolarHBondContact O-N 2.97Å; E341-R344 WeakPolarHBondContact O-CB 3.47Å; E341-R344 PolarHBondContact O-N 3.18Å; E341-R344 IonicContact OE1-CZ 2.81Å; E341-R344 IonicContact OE1-NE 3.18Å; E341-R344 PolarHBondContact OE1-NE 2.75Å; E341-R344 IonicContact OE1-NH2 2.81Å; E341-R344 PolarHBondContact OE1-NH2 3.11Å; E341-R344 IonicContact OE2-CZ 3.19Å; E341-R344 VanDerWaalsContact OE2-CZ 3.29Å; E341-R344 IonicContact OE2-NE 2.7Å; E341-R344 PolarHBondContact OE2-NE 2.65Å; E341-R344 IonicContact OE2-NH2 3.43Å; E341-R344 PolarHBondContact OE2-NH2 3.19Å; E341-Q345 WeakPolarHBondContact O-CG 3.43Å; E341-Q345 PolarHBondContact O-N 3.18Å; E341-Q345 WeakPolarHBondContact OE1-CG 3.46Å; E341-Q345 PolarHBondContact OE1-NE2 2.93Å |
| 342 | V | 89.7 | Confident | 80.2 | Confident | 66 Ų | 66 | 81 Ų | 81 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 173.4 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | M338 Q339 Q345 A346 | M338-V342 WeakPolarHBondContact O-CG2 3.33Å; M338-V342 PolarHBondContact O-N 2.75Å; Q339-V342 PolarHBondContact O-N 3.26Å; V342-Q345 PolarHBondContact O-N 2.83Å; V342-A346 WeakPolarHBondContact O-CB 3.35Å; V342-A346 PolarHBondContact O-N 3.36Å |
| 343 | E | 87.6 | Confident | 79.2 | Confident | 70 Ų | 70 | 82.6 Ų | 82.6 | 33% | 0.327 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 174.8 | -72.9 | 179.4 | -147.9 | 0 | 0 | 112.4 | Q339 E341 Q345 A346 R347 | Q339-E343 PolarHBondContact NE2-OE1 3.12Å; Q339-E343 WeakPolarHBondContact O-CG 3.48Å; Q339-E343 PolarHBondContact O-N 2.91Å; E341-E343 VanDerWaalsContact C-N 3.34Å; E341-E343 PolarHBondContact O-N 2.97Å; E343-Q345 VanDerWaalsContact C-N 3.3Å; E343-Q345 PolarHBondContact O-N 3.47Å; E343-A346 PolarHBondContact O-N 3.43Å; E343-R347 WeakPolarHBondContact O-CB 3.35Å; E343-R347 VanDerWaalsContact O-CG 3.23Å; E343-R347 WeakPolarHBondContact O-CG 3.37Å; E343-R347 PolarHBondContact O-N 3.38Å |
| 344 | R | 86.1 | Confident | 78 | Confident | 112 Ų | 112 | 79.1 Ų | 79.1 | 42% | 0.423 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 174.8 | -165.2 | -165.5 | 67.4 | 122.6 | -2.5 | 111.6 | M340 E341 Q348 | M340-R344 WeakPolarHBondContact O-CB 3.15Å; M340-R344 PolarHBondContact O-N 3.28Å; E341-R344 WeakPolarHBondContact O-CB 3.47Å; E341-R344 PolarHBondContact O-N 3.18Å; E341-R344 IonicContact OE1-CZ 2.81Å; E341-R344 IonicContact OE1-NE 3.18Å; E341-R344 PolarHBondContact OE1-NE 2.75Å; E341-R344 IonicContact OE1-NH2 2.81Å; E341-R344 PolarHBondContact OE1-NH2 3.11Å; E341-R344 IonicContact OE2-CZ 3.19Å; E341-R344 VanDerWaalsContact OE2-CZ 3.29Å; E341-R344 IonicContact OE2-NE 2.7Å; E341-R344 PolarHBondContact OE2-NE 2.65Å; E341-R344 IonicContact OE2-NH2 3.43Å; E341-R344 PolarHBondContact OE2-NH2 3.19Å; R344-Q348 WeakPolarHBondContact O-CG 3.46Å; R344-Q348 PolarHBondContact O-N 2.92Å; R344-Q348 PolarHBondContact O-NE2 2.95Å; R344-Q348 VanDerWaalsContact O-NE2 3.11Å |
| 345 | Q | 84.4 | Confident | 77.3 | Confident | 108 Ų | 108 | 75.9 Ų | 75.9 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.6 | -43.6 | 176.3 | -70.3 | -179.2 | 23.7 | 0 | 0 | 111.9 | E341 V342 E343 R347 Q348 S349 | E341-Q345 WeakPolarHBondContact O-CG 3.43Å; E341-Q345 PolarHBondContact O-N 3.18Å; E341-Q345 WeakPolarHBondContact OE1-CG 3.46Å; E341-Q345 PolarHBondContact OE1-NE2 2.93Å; V342-Q345 PolarHBondContact O-N 2.83Å; E343-Q345 VanDerWaalsContact C-N 3.3Å; E343-Q345 PolarHBondContact O-N 3.47Å; Q345-R347 VanDerWaalsContact C-N 3.3Å; Q345-R347 PolarHBondContact O-N 3.24Å; Q345-Q348 PolarHBondContact O-N 3.41Å; Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.4Å; Q345-S349 PolarHBondContact O-OG 3.31Å |
| 346 | A | 82.8 | Confident | 76.2 | Confident | 55 Ų | 55 | 79.6 Ų | 79.6 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V342 E343 Q348 S349 | V342-A346 WeakPolarHBondContact O-CB 3.35Å; V342-A346 PolarHBondContact O-N 3.36Å; E343-A346 PolarHBondContact O-N 3.43Å; A346-Q348 VanDerWaalsContact C-N 3.29Å; A346-Q348 PolarHBondContact O-N 2.87Å; A346-S349 PolarHBondContact O-N 2.85Å; A346-S349 PolarHBondContact O-OG 3.16Å; A346-S349 VanDerWaalsContact O-OG 3.08Å |
| 347 | R | 75.9 | Confident | 74.9 | Confident | 127 Ų | 127 | 82.5 Ų | 82.5 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.7 | -25.7 | 176.1 | -68.8 | 170 | -168.3 | -72.4 | -4.9 | 113.7 | E343 Q345 E398 | E343-R347 WeakPolarHBondContact O-CB 3.35Å; E343-R347 VanDerWaalsContact O-CG 3.23Å; E343-R347 WeakPolarHBondContact O-CG 3.37Å; E343-R347 PolarHBondContact O-N 3.38Å; Q345-R347 VanDerWaalsContact C-N 3.3Å; Q345-R347 PolarHBondContact O-N 3.24Å; R347-E398 IonicContact CZ-OE1 3.06Å; R347-E398 IonicContact CZ-OE2 3.58Å; R347-E398 IonicContact NH1-OE1 2.73Å; R347-E398 PolarHBondContact NH1-OE1 3.24Å; R347-E398 IonicContact NH1-OE2 3.85Å; R347-E398 PolarHBondContact NH1-OE2 3.02Å; R347-E398 IonicContact NH2-OE1 2.72Å; R347-E398 PolarHBondContact NH2-OE1 3.3Å |
| 348 | Q | 69.3 | Low | 73.8 | Confident | 117 Ų | 117 | 77.3 Ų | 77.3 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -87.8 | -26.8 | 175.9 | -74.3 | 176.7 | 70.8 | 0 | 0 | 113.4 | R344 Q345 A346 | R344-Q348 WeakPolarHBondContact O-CG 3.46Å; R344-Q348 PolarHBondContact O-N 2.92Å; R344-Q348 PolarHBondContact O-NE2 2.95Å; R344-Q348 VanDerWaalsContact O-NE2 3.11Å; Q345-Q348 PolarHBondContact O-N 3.41Å; A346-Q348 VanDerWaalsContact C-N 3.29Å; A346-Q348 PolarHBondContact O-N 2.87Å |
| 349 | S | 59.6 | Low | 72.5 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 58% | 0.58 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -81.3 | -21.6 | -174 | 68.6 | 0 | 0 | 0 | 0 | 113.8 | Q345 A346 P351 | Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.4Å; Q345-S349 PolarHBondContact O-OG 3.31Å; A346-S349 PolarHBondContact O-N 2.85Å; A346-S349 PolarHBondContact O-OG 3.16Å; A346-S349 VanDerWaalsContact O-OG 3.08Å; S349-P351 WeakPolarHBondContact O-CD 3.32Å; S349-P351 WeakPolarHBondContact O-CG 3.43Å; S349-P351 VanDerWaalsContact O-N 3.11Å |
| 350 | A | 59.5 | Low | 71.2 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 49% | 0.488 | 46% | 0.459 | S | S | . | . | trans | -60.8 | 103.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G352 | A350-G352 PolarHBondContact O-N 3.17Š| ||
| 351 | P | 56.3 | Low | 70 | Confident | 110 Ų | 110 | 72.5 Ų | 72.5 | 71% | 0.714 | 44% | 0.442 | S | S | * | . | trans | -81.2 | 112.9 | 179.9 | -2.2 | 22.4 | 0 | 0 | 0 | 108 | S349 | S349-P351 WeakPolarHBondContact O-CD 3.32Å; S349-P351 WeakPolarHBondContact O-CG 3.43Å; S349-P351 VanDerWaalsContact O-N 3.11Å | ||
| 352 | G | 61.6 | Low | 68.8 | Low | 32 Ų | 32 | 71.3 Ų | 71.3 | 33% | 0.33 | 44% | 0.437 | S | S | . | . | trans | -62.8 | 138.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | A350 L354 D355 | A350-G352 PolarHBondContact O-N 3.17Å; G352-L354 PolarHBondContact O-N 3.08Å; G352-D355 WeakPolarHBondContact O-CB 3.41Å; G352-D355 PolarHBondContact O-N 3.36Å | ||
| 353 | A | 61.4 | Low | 67.4 | Low | 89 Ų | 89 | 70.9 Ų | 70.9 | 74% | 0.736 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -57.7 | -22.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D355 L357 | A353-D355 VanDerWaalsContact C-N 3.35Å; A353-L357 PolarHBondContact O-N 3.03Å |
| 354 | L | 62.5 | Low | 66.1 | Low | 17 Ų | 17 | 74.1 Ų | 74.1 | 9% | 0.089 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.7 | -31.9 | 170.5 | -73.1 | -150 | 0 | 0 | 0 | 114.4 | G352 A356 L357 I358 L362 I383 I384 D387 | G352-L354 PolarHBondContact O-N 3.08Å; L354-A356 PolarHBondContact O-N 3.17Å; L354-L357 HydrophobicContact CD2-CD2 4.3Å; L354-L357 PolarHBondContact O-N 2.95Å; L354-L357 VanDerWaalsContact O-N 3.09Å; L354-I358 HydrophobicContact CB-CD1 4.21Å; L354-I358 HydrophobicContact CD1-CD1 3.93Å; L354-I358 HydrophobicContact CD2-CD1 4.47Å; L354-I358 HydrophobicContact CG-CD1 4.45Å; L354-I358 WeakPolarHBondContact O-CB 3.22Å; L354-I358 PolarHBondContact O-N 3.34Å; L354-L362 HydrophobicContact CB-CD1 3.73Å; L354-L362 HydrophobicContact CD1-CD1 4.2Å; L354-I383 HydrophobicContact CD1-CG2 4.06Å; L354-I383 HydrophobicContact CD2-CG2 3.42Å; L354-I383 VanDerWaalsContact CD2-CG2 3.42Å; L354-I383 HydrophobicContact CG-CG2 4.42Å; L354-I384 HydrophobicContact CD1-CG1 4.36Å; L354-D387 HydrophobicContact CD1-CB 3.33Å; L354-D387 VanDerWaalsContact CD1-CG 3.46Å; L354-D387 HydrophobicContact CG-CB 3.95Å |
| 355 | D | 68 | Low | 65 | Low | 27 Ų | 27 | 73.5 Ų | 73.5 | 14% | 0.144 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.1 | -40 | -178 | -67.7 | -4.6 | 0 | 0 | 0 | 110.4 | G352 A353 G359 V360 L362 S363 | G352-D355 WeakPolarHBondContact O-CB 3.41Å; G352-D355 PolarHBondContact O-N 3.36Å; A353-D355 VanDerWaalsContact C-N 3.35Å; D355-G359 WeakPolarHBondContact O-CA 3.44Å; D355-G359 PolarHBondContact O-N 3.28Å; D355-V360 WeakPolarHBondContact CA-O 3.42Å; D355-L362 WeakPolarHBondContact OD1-CA 3.3Å; D355-L362 WeakPolarHBondContact OD1-CB 3.37Å; D355-L362 PolarHBondContact OD1-N 3.05Å; D355-S363 PolarHBondContact OD1-N 3.35Å; D355-S363 WeakPolarHBondContact OD2-CB 3.36Å; D355-S363 PolarHBondContact OD2-OG 3Å |
| 356 | A | 62.7 | Low | 64.3 | Low | 95 Ų | 95 | 78.5 Ų | 78.5 | 79% | 0.785 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73.3 | -34.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L354 | L354-A356 PolarHBondContact O-N 3.17Å |
| 357 | L | 61.5 | Low | 63.8 | Low | 120 Ų | 120 | 84.5 Ų | 84.5 | 63% | 0.628 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -77.3 | -27.1 | -179 | -176.3 | 59.1 | 0 | 0 | 0 | 113.2 | A353 L354 I383 | A353-L357 PolarHBondContact O-N 3.03Å; L354-L357 HydrophobicContact CD2-CD2 4.3Å; L354-L357 PolarHBondContact O-N 2.95Å; L354-L357 VanDerWaalsContact O-N 3.09Å; L357-I383 HydrophobicContact CD2-CD1 4.42Å; L357-I383 HydrophobicContact CD2-CG2 4.25Å |
| 358 | I | 63.8 | Low | 63.8 | Low | 31 Ų | 31 | 80.7 Ų | 80.7 | 16% | 0.159 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -110.8 | -16.9 | -172.3 | -63.4 | 175.4 | 0 | 0 | 0 | 112 | L354 V360 L362 M376 I383 I384 | L354-I358 HydrophobicContact CB-CD1 4.21Å; L354-I358 HydrophobicContact CD1-CD1 3.93Å; L354-I358 HydrophobicContact CD2-CD1 4.47Å; L354-I358 HydrophobicContact CG-CD1 4.45Å; L354-I358 WeakPolarHBondContact O-CB 3.22Å; L354-I358 PolarHBondContact O-N 3.34Å; I358-V360 VanDerWaalsContact C-N 3.27Å; I358-V360 HydrophobicContact CG2-CB 4.3Å; I358-V360 HydrophobicContact CG2-CG2 4.33Å; I358-V360 PolarHBondContact O-N 3.47Å; I358-L362 HydrophobicContact CB-CD1 4.36Å; I358-L362 HydrophobicContact CD1-CD1 3.89Å; I358-L362 HydrophobicContact CG2-CD1 4.46Å; I358-M376 HydrophobicContact CG2-CE 3.55Å; I358-I383 HydrophobicContact CD1-CG2 4.21Å; I358-I384 HydrophobicContact CD1-CD1 4Å; I358-I384 HydrophobicContact CD1-CG1 3.49Å; I358-I384 VanDerWaalsContact CD1-CG1 3.49Å |
| 359 | G | 62.4 | Low | 64.5 | Low | 69 Ų | 69 | 77.3 Ų | 77.3 | 71% | 0.711 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 22.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D355 | D355-G359 WeakPolarHBondContact O-CA 3.44Å; D355-G359 PolarHBondContact O-N 3.28Å |
| 360 | V | 63.4 | Low | 65.7 | Low | 35 Ų | 35 | 83.5 Ų | 83.5 | 21% | 0.212 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -137.5 | 127.3 | 179.3 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | D355 I358 L362 L368 M376 | D355-V360 WeakPolarHBondContact CA-O 3.42Å; I358-V360 VanDerWaalsContact C-N 3.27Å; I358-V360 HydrophobicContact CG2-CB 4.3Å; I358-V360 HydrophobicContact CG2-CG2 4.33Å; I358-V360 PolarHBondContact O-N 3.47Å; V360-L362 PolarHBondContact O-N 3.29Å; V360-L368 HydrophobicContact CG1-CD2 4.47Å; V360-M376 HydrophobicContact CG2-CE 4Å |
| 361 | S | 62.3 | Low | 66.9 | Low | 44 Ų | 44 | 84.4 Ų | 84.4 | 31% | 0.308 | 48% | 0.481 | S | S | . | . | trans | -70.6 | 89.4 | 176 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | Q365 | S361-Q365 WeakPolarHBondContact O-CG 3.23Š| ||
| 362 | L | 64.3 | Low | 68.2 | Low | 32 Ų | 32 | 82.1 Ų | 82.1 | 17% | 0.168 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -41.1 | 175.2 | -70.4 | 142 | 0 | 0 | 0 | 110 | L354 D355 I358 V360 Q364 Q365 L368 I384 | L354-L362 HydrophobicContact CB-CD1 3.73Å; L354-L362 HydrophobicContact CD1-CD1 4.2Å; D355-L362 WeakPolarHBondContact OD1-CA 3.3Å; D355-L362 WeakPolarHBondContact OD1-CB 3.37Å; D355-L362 PolarHBondContact OD1-N 3.05Å; I358-L362 HydrophobicContact CB-CD1 4.36Å; I358-L362 HydrophobicContact CD1-CD1 3.89Å; I358-L362 HydrophobicContact CG2-CD1 4.46Å; V360-L362 PolarHBondContact O-N 3.29Å; L362-Q364 VanDerWaalsContact C-N 3.25Å; L362-Q364 PolarHBondContact O-N 2.96Å; L362-Q365 PolarHBondContact O-N 3.03Å; L362-L368 HydrophobicContact CD2-CD1 3.63Å; L362-L368 HydrophobicContact CD2-CD2 3.88Å; L362-L368 HydrophobicContact CD2-CG 4.17Å; L362-I384 HydrophobicContact CD1-CG1 4.44Å; L362-I384 HydrophobicContact CD2-CD1 4.27Å; L362-I384 HydrophobicContact CD2-CG1 4.3Å; L362-I384 HydrophobicContact CD2-CG2 4.36Å |
| 363 | S | 60.4 | Low | 69.3 | Low | 56 Ų | 56 | 83.5 Ų | 83.5 | 39% | 0.392 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -41.7 | 177.8 | 58 | 0 | 0 | 0 | 0 | 113.8 | D355 | D355-S363 PolarHBondContact OD1-N 3.35Å; D355-S363 WeakPolarHBondContact OD2-CB 3.36Å; D355-S363 PolarHBondContact OD2-OG 3Å |
| 364 | Q | 59.7 | Low | 70.6 | Confident | 139 Ų | 139 | 84.4 Ų | 84.4 | 65% | 0.65 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -16.2 | -174.8 | -65.6 | 177.9 | -20.5 | 0 | 0 | 113.9 | L362 | L362-Q364 VanDerWaalsContact C-N 3.25Å; L362-Q364 PolarHBondContact O-N 2.96Å |
| 365 | Q | 63.8 | Low | 71.8 | Confident | 98 Ų | 98 | 92.3 Ų | 92.3 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | trans | -103.1 | 95.1 | -169 | -68.7 | -63.5 | -29.8 | 0 | 0 | 111.9 | S361 L362 K367 | S361-Q365 WeakPolarHBondContact O-CG 3.23Å; L362-Q365 PolarHBondContact O-N 3.03Å; Q365-K367 PolarHBondContact O-N 3.44Å | ||
| 366 | K | 68.8 | Low | 72.6 | Confident | 214 Ų | 214 | 92.7 Ų | 92.7 | 93% | 0.93 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -51 | -18.7 | 175.1 | -67.6 | -177.7 | 179.5 | 176.4 | 0 | 114.4 | ||
| 367 | K | 73.8 | Confident | 73.9 | Confident | 181 Ų | 181 | 91 Ų | 91 | 79% | 0.787 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -147.9 | 125.2 | 173.9 | -62 | -176.6 | -178.2 | 176.2 | 0 | 111 | Q365 | Q365-K367 PolarHBondContact O-N 3.44Š|
| 368 | L | 75.5 | Confident | 75.3 | Confident | 46 Ų | 46 | 91 Ų | 91 | 24% | 0.241 | 48% | 0.48 | C | S | . | . | trans | -76.2 | 134.8 | 164 | -66.4 | 173.2 | 0 | 0 | 0 | 110.3 | V360 L362 L373 I384 | V360-L368 HydrophobicContact CG1-CD2 4.47Å; L362-L368 HydrophobicContact CD2-CD1 3.63Å; L362-L368 HydrophobicContact CD2-CD2 3.88Å; L362-L368 HydrophobicContact CD2-CG 4.17Å; L368-L373 HydrophobicContact CB-CD1 4.22Å; L368-L373 HydrophobicContact CB-CD2 4.28Å; L368-L373 HydrophobicContact CB-CG 4.12Å; L368-L373 HydrophobicContact CD1-CD2 3.73Å; L368-L373 HydrophobicContact CD1-CG 4.46Å; L368-I384 HydrophobicContact CD1-CG2 4.42Å | ||
| 369 | S | 83 | Confident | 76.5 | Confident | 46 Ų | 46 | 93.9 Ų | 93.9 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | trans | -76.9 | 148.3 | 175.4 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | S371 Q372 L373 | S369-S371 PolarHBondContact O-N 2.93Å; S369-S371 VanDerWaalsContact O-N 3.14Å; S369-S371 PolarHBondContact OG-OG 2.9Å; S369-Q372 PolarHBondContact O-N 3.44Å; S369-Q372 WeakPolarHBondContact OG-CG 3.35Å; S369-Q372 PolarHBondContact OG-N 2.91Å; S369-Q372 PolarHBondContact OG-OE1 3.49Å; S369-L373 PolarHBondContact O-N 3.42Å; S369-L373 VanDerWaalsContact O-N 3.14Å | ||
| 370 | R | 86.1 | Confident | 77.8 | Confident | 214 Ų | 214 | 92.5 Ų | 92.5 | 81% | 0.808 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -55.3 | -33.1 | 176.5 | -175.4 | 176.4 | 176.6 | 176 | -0.2 | 112.3 | T374 | R370-T374 VanDerWaalsContact O-CB 3.31Å; R370-T374 WeakPolarHBondContact O-CB 3.14Å; R370-T374 PolarHBondContact O-N 2.98Å; R370-T374 PolarHBondContact O-OG1 2.97Å |
| 371 | S | 84 | Confident | 79.1 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 54% | 0.538 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.5 | -20.4 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | S369 K375 | S369-S371 PolarHBondContact O-N 2.93Å; S369-S371 VanDerWaalsContact O-N 3.14Å; S369-S371 PolarHBondContact OG-OG 2.9Å; S371-K375 WeakPolarHBondContact O-CD 3.48Å; S371-K375 VanDerWaalsContact O-CG 3.3Å; S371-K375 WeakPolarHBondContact O-CG 3.43Å |
| 372 | Q | 83.9 | Confident | 80.5 | Confident | 63 Ų | 63 | 96.3 Ų | 96.3 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.3 | -53.2 | 165.8 | -74.2 | 160 | -63.2 | 0 | 0 | 110 | S369 T374 K375 | S369-Q372 PolarHBondContact O-N 3.44Å; S369-Q372 WeakPolarHBondContact OG-CG 3.35Å; S369-Q372 PolarHBondContact OG-N 2.91Å; S369-Q372 PolarHBondContact OG-OE1 3.49Å; Q372-T374 VanDerWaalsContact C-N 3.3Å; Q372-T374 PolarHBondContact O-N 3.19Å; Q372-K375 WeakPolarHBondContact O-CB 3.11Å; Q372-K375 PolarHBondContact O-N 3.32Å |
| 373 | L | 85.2 | Confident | 81.7 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.7 | -39.8 | -179.2 | -67.5 | 170.1 | 0 | 0 | 0 | 112.6 | L368 S369 K375 M376 L381 | L368-L373 HydrophobicContact CB-CD1 4.22Å; L368-L373 HydrophobicContact CB-CD2 4.28Å; L368-L373 HydrophobicContact CB-CG 4.12Å; L368-L373 HydrophobicContact CD1-CD2 3.73Å; L368-L373 HydrophobicContact CD1-CG 4.46Å; S369-L373 PolarHBondContact O-N 3.42Å; S369-L373 VanDerWaalsContact O-N 3.14Å; L373-K375 PolarHBondContact O-N 2.96Å; L373-M376 PolarHBondContact O-N 2.8Å; L373-L381 HydrophobicContact CB-CD2 4.29Å; L373-L381 HydrophobicContact CD2-CD2 3.62Å |
| 374 | T | 88.8 | Confident | 83 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 66% | 0.663 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.2 | 179.2 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | R370 Q372 | R370-T374 VanDerWaalsContact O-CB 3.31Å; R370-T374 WeakPolarHBondContact O-CB 3.14Å; R370-T374 PolarHBondContact O-N 2.98Å; R370-T374 PolarHBondContact O-OG1 2.97Å; Q372-T374 VanDerWaalsContact C-N 3.3Å; Q372-T374 PolarHBondContact O-N 3.19Å |
| 375 | K | 87.7 | Confident | 84.4 | Confident | 184 Ų | 184 | 92 Ų | 92 | 80% | 0.8 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -13.3 | 176.1 | -70.7 | 173.7 | -177.1 | -175.7 | 0 | 113.3 | S371 Q372 L373 | S371-K375 WeakPolarHBondContact O-CD 3.48Å; S371-K375 VanDerWaalsContact O-CG 3.3Å; S371-K375 WeakPolarHBondContact O-CG 3.43Å; Q372-K375 WeakPolarHBondContact O-CB 3.11Å; Q372-K375 PolarHBondContact O-N 3.32Å; L373-K375 PolarHBondContact O-N 2.96Å |
| 376 | M | 83.8 | Confident | 85.7 | Confident | 35 Ų | 35 | 91.6 Ų | 91.6 | 17% | 0.172 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -83.6 | 148.1 | -175.3 | -71.3 | 177 | 170.9 | 0 | 0 | 111.3 | I358 V360 L373 C380 L381 I384 | I358-M376 HydrophobicContact CG2-CE 3.55Å; V360-M376 HydrophobicContact CG2-CE 4Å; L373-M376 PolarHBondContact O-N 2.8Å; M376-C380 HydrophobicContact CB-CB 4.06Å; M376-L381 HydrophobicContact CB-CD2 4Å; M376-L381 HydrophobicContact CB-CG 4.03Å; M376-L381 HydrophobicContact SD-CD2 4.24Å; M376-I384 HydrophobicContact CE-CD1 4.17Å; M376-I384 HydrophobicContact SD-CD1 3.51Å; M376-I384 VanDerWaalsContact SD-CD1 3.51Å |
| 377 | S | 89.7 | Confident | 86.6 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 42% | 0.42 | 44% | 0.441 | S | S | . | . | trans | -66.8 | 156 | 170.3 | 76.7 | 0 | 0 | 0 | 0 | 110.7 | T379 C380 L381 | S377-T379 PolarHBondContact O-N 2.98Å; S377-T379 PolarHBondContact OG-N 2.78Å; S377-C380 WeakPolarHBondContact O-CB 3.46Å; S377-C380 PolarHBondContact O-N 3.05Å; S377-C380 PolarHBondContact OG-N 2.95Å; S377-C380 VanDerWaalsContact OG-N 3.11Å; S377-C380 PolarHBondContact OG-SG 3.17Å; S377-L381 WeakPolarHBondContact O-CG 3.41Å; S377-L381 PolarHBondContact O-N 2.99Å | ||
| 378 | T | 91.2 | Very high | 87.3 | Confident | 118 Ų | 118 | 80.5 Ų | 80.5 | 72% | 0.724 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -55.5 | -35.4 | 173 | 46.2 | 0 | 0 | 0 | 0 | 112.1 | L381 Q382 | T378-L381 PolarHBondContact O-N 2.74Å; T378-Q382 WeakPolarHBondContact O-CB 3.27Å; T378-Q382 PolarHBondContact O-N 2.94Å |
| 379 | T | 89.9 | Confident | 88.1 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 57% | 0.571 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 173.4 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | S377 L381 Q382 I383 | S377-T379 PolarHBondContact O-N 2.98Å; S377-T379 PolarHBondContact OG-N 2.78Å; T379-L381 VanDerWaalsContact C-N 3.34Å; T379-L381 PolarHBondContact O-N 3.22Å; T379-Q382 PolarHBondContact O-N 3.42Å; T379-I383 HydrophobicContact CG2-CD1 4.29Å; T379-I383 VanDerWaalsContact O-CG1 3.32Å; T379-I383 WeakPolarHBondContact O-CG1 3.43Å; T379-I383 PolarHBondContact O-N 2.95Å |
| 380 | C | 88.5 | Confident | 88.5 | Confident | 39 Ų | 39 | 82.6 Ų | 82.6 | 26% | 0.264 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 176.7 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | M376 S377 Q382 I383 I384 | M376-C380 HydrophobicContact CB-CB 4.06Å; S377-C380 WeakPolarHBondContact O-CB 3.46Å; S377-C380 PolarHBondContact O-N 3.05Å; S377-C380 PolarHBondContact OG-N 2.95Å; S377-C380 VanDerWaalsContact OG-N 3.11Å; S377-C380 PolarHBondContact OG-SG 3.17Å; C380-Q382 VanDerWaalsContact C-N 3.35Å; C380-I383 PolarHBondContact O-N 3.01Å; C380-I384 WeakPolarHBondContact O-CG1 3.47Å; C380-I384 PolarHBondContact O-N 3.26Å |
| 381 | L | 90.9 | Very high | 88.7 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 33% | 0.325 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 176.3 | -65.9 | 173.6 | 0 | 0 | 0 | 112.1 | L373 M376 S377 T378 T379 I384 L385 | L373-L381 HydrophobicContact CB-CD2 4.29Å; L373-L381 HydrophobicContact CD2-CD2 3.62Å; M376-L381 HydrophobicContact CB-CD2 4Å; M376-L381 HydrophobicContact CB-CG 4.03Å; M376-L381 HydrophobicContact SD-CD2 4.24Å; S377-L381 WeakPolarHBondContact O-CG 3.41Å; S377-L381 PolarHBondContact O-N 2.99Å; T378-L381 PolarHBondContact O-N 2.74Å; T379-L381 VanDerWaalsContact C-N 3.34Å; T379-L381 PolarHBondContact O-N 3.22Å; L381-I384 PolarHBondContact O-N 2.97Å; L381-L385 WeakPolarHBondContact O-CB 3.42Å; L381-L385 PolarHBondContact O-N 3Å |
| 382 | Q | 92.1 | Very high | 89 | Confident | 97 Ų | 97 | 77.2 Ų | 77.2 | 45% | 0.453 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 174.7 | -170.6 | 64.1 | 57.5 | 0 | 0 | 112.3 | T378 T379 C380 L385 N386 | T378-Q382 WeakPolarHBondContact O-CB 3.27Å; T378-Q382 PolarHBondContact O-N 2.94Å; T379-Q382 PolarHBondContact O-N 3.42Å; C380-Q382 VanDerWaalsContact C-N 3.35Å; Q382-L385 PolarHBondContact O-N 3.4Å; Q382-N386 PolarHBondContact NE2-OD1 2.96Å; Q382-N386 WeakPolarHBondContact O-CB 3.46Å; Q382-N386 PolarHBondContact O-N 2.95Å; Q382-N386 PolarHBondContact O-OD1 3.06Å |
| 383 | I | 89.4 | Confident | 89.5 | Confident | 54 Ų | 54 | 81.2 Ų | 81.2 | 28% | 0.277 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 174.1 | -69.5 | 164 | 0 | 0 | 0 | 110.1 | L354 L357 I358 T379 C380 L385 N386 D387 | L354-I383 HydrophobicContact CD1-CG2 4.06Å; L354-I383 HydrophobicContact CD2-CG2 3.42Å; L354-I383 VanDerWaalsContact CD2-CG2 3.42Å; L354-I383 HydrophobicContact CG-CG2 4.42Å; L357-I383 HydrophobicContact CD2-CD1 4.42Å; L357-I383 HydrophobicContact CD2-CG2 4.25Å; I358-I383 HydrophobicContact CD1-CG2 4.21Å; T379-I383 HydrophobicContact CG2-CD1 4.29Å; T379-I383 VanDerWaalsContact O-CG1 3.32Å; T379-I383 WeakPolarHBondContact O-CG1 3.43Å; T379-I383 PolarHBondContact O-N 2.95Å; C380-I383 PolarHBondContact O-N 3.01Å; I383-L385 VanDerWaalsContact C-N 3.34Å; I383-L385 PolarHBondContact O-N 3.02Å; I383-N386 PolarHBondContact O-N 3.47Å; I383-D387 WeakPolarHBondContact O-CB 3.44Å; I383-D387 PolarHBondContact O-N 3.23Å |
| 384 | I | 86.6 | Confident | 89.8 | Confident | 9 Ų | 9 | 83 Ų | 83 | 5% | 0.046 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.6 | -65.6 | 166 | 0 | 0 | 0 | 111 | L354 I358 L362 L368 M376 C380 L381 N386 D387 L388 | L354-I384 HydrophobicContact CD1-CG1 4.36Å; I358-I384 HydrophobicContact CD1-CD1 4Å; I358-I384 HydrophobicContact CD1-CG1 3.49Å; I358-I384 VanDerWaalsContact CD1-CG1 3.49Å; L362-I384 HydrophobicContact CD1-CG1 4.44Å; L362-I384 HydrophobicContact CD2-CD1 4.27Å; L362-I384 HydrophobicContact CD2-CG1 4.3Å; L362-I384 HydrophobicContact CD2-CG2 4.36Å; L368-I384 HydrophobicContact CD1-CG2 4.42Å; M376-I384 HydrophobicContact CE-CD1 4.17Å; M376-I384 HydrophobicContact SD-CD1 3.51Å; M376-I384 VanDerWaalsContact SD-CD1 3.51Å; C380-I384 WeakPolarHBondContact O-CG1 3.47Å; C380-I384 PolarHBondContact O-N 3.26Å; L381-I384 PolarHBondContact O-N 2.97Å; I384-N386 PolarHBondContact O-N 2.79Å; I384-D387 PolarHBondContact O-N 3.43Å; I384-L388 HydrophobicContact CG2-CD1 3.82Å; I384-L388 HydrophobicContact CG2-CG 4.26Å; I384-L388 WeakPolarHBondContact O-CB 3.47Å; I384-L388 VanDerWaalsContact O-CG 3.28Å; I384-L388 WeakPolarHBondContact O-CG 3.32Å; I384-L388 PolarHBondContact O-N 3.2Å |
| 385 | L | 89.7 | Confident | 89.9 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 38% | 0.382 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.8 | -178.3 | 60.9 | 0 | 0 | 0 | 112.2 | L381 Q382 I383 H389 | L381-L385 WeakPolarHBondContact O-CB 3.42Å; L381-L385 PolarHBondContact O-N 3Å; Q382-L385 PolarHBondContact O-N 3.4Å; I383-L385 VanDerWaalsContact C-N 3.34Å; I383-L385 PolarHBondContact O-N 3.02Å; L385-H389 WeakPolarHBondContact O-CB 3.39Å; L385-H389 VanDerWaalsContact O-CG 3.23Å; L385-H389 PolarHBondContact O-N 3.09Å |
| 386 | N | 91.7 | Very high | 90.4 | Very high | 90 Ų | 90 | 77.1 Ų | 77.1 | 48% | 0.481 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 178.7 | -71 | -3.1 | 0 | 0 | 0 | 112.1 | Q382 I383 I384 H389 A390 | Q382-N386 PolarHBondContact NE2-OD1 2.96Å; Q382-N386 WeakPolarHBondContact O-CB 3.46Å; Q382-N386 PolarHBondContact O-N 2.95Å; Q382-N386 PolarHBondContact O-OD1 3.06Å; I383-N386 PolarHBondContact O-N 3.47Å; I384-N386 PolarHBondContact O-N 2.79Å; N386-H389 CarbonylContact O-C 3.59Å; N386-H389 PolarHBondContact O-N 3.42Å; N386-A390 PolarHBondContact O-N 2.98Å |
| 387 | D | 87.6 | Confident | 91 | Very high | 72 Ų | 72 | 79.4 Ų | 79.4 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 176.6 | -177.3 | 78.2 | 0 | 0 | 0 | 112.1 | L354 I383 I384 H389 A390 K391 | L354-D387 HydrophobicContact CD1-CB 3.33Å; L354-D387 VanDerWaalsContact CD1-CG 3.46Å; L354-D387 HydrophobicContact CG-CB 3.95Å; I383-D387 WeakPolarHBondContact O-CB 3.44Å; I383-D387 PolarHBondContact O-N 3.23Å; I384-D387 PolarHBondContact O-N 3.43Å; D387-H389 VanDerWaalsContact C-N 3.31Å; D387-H389 PolarHBondContact O-N 2.81Å; D387-A390 CarbonylContact O-C 3.54Å; D387-A390 WeakPolarHBondContact O-CA 3.22Å; D387-A390 WeakPolarHBondContact O-CB 3.4Å; D387-A390 PolarHBondContact O-N 3.34Å; D387-K391 PolarHBondContact O-N 3.04Å |
| 388 | L | 89 | Confident | 91.2 | Very high | 91 Ų | 91 | 79.1 Ų | 79.1 | 48% | 0.476 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 171.2 | -70.4 | 172.8 | 0 | 0 | 0 | 111.5 | I384 A390 K391 I392 | I384-L388 HydrophobicContact CG2-CD1 3.82Å; I384-L388 HydrophobicContact CG2-CG 4.26Å; I384-L388 WeakPolarHBondContact O-CB 3.47Å; I384-L388 VanDerWaalsContact O-CG 3.28Å; I384-L388 WeakPolarHBondContact O-CG 3.32Å; I384-L388 PolarHBondContact O-N 3.2Å; L388-A390 VanDerWaalsContact C-N 3.25Å; L388-A390 PolarHBondContact O-N 3.08Å; L388-K391 PolarHBondContact O-N 3.08Å; L388-I392 WeakPolarHBondContact O-CB 3.38Å; L388-I392 WeakPolarHBondContact O-CD1 3.49Å; L388-I392 WeakPolarHBondContact O-CG1 3.31Å; L388-I392 PolarHBondContact O-N 2.84Å |
| 389 | H | 92.2 | Very high | 91.4 | Very high | 101 Ų | 101 | 78 Ų | 78 | 47% | 0.468 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.7 | -20.1 | 172.3 | -71.5 | 169.9 | 0 | 0 | 0 | 113.9 | L385 N386 D387 R393 | L385-H389 WeakPolarHBondContact O-CB 3.39Å; L385-H389 VanDerWaalsContact O-CG 3.23Å; L385-H389 PolarHBondContact O-N 3.09Å; N386-H389 CarbonylContact O-C 3.59Å; N386-H389 PolarHBondContact O-N 3.42Å; D387-H389 VanDerWaalsContact C-N 3.31Å; D387-H389 PolarHBondContact O-N 2.81Å; H389-R393 WeakPolarHBondContact O-CG 3.19Å; H389-R393 PolarHBondContact O-NE 3Å |
| 390 | A | 90.4 | Very high | 91.7 | Very high | 35 Ų | 35 | 79.4 Ų | 79.4 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -79.5 | -48.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N386 D387 L388 I392 R393 E394 | N386-A390 PolarHBondContact O-N 2.98Å; D387-A390 CarbonylContact O-C 3.54Å; D387-A390 WeakPolarHBondContact O-CA 3.22Å; D387-A390 WeakPolarHBondContact O-CB 3.4Å; D387-A390 PolarHBondContact O-N 3.34Å; L388-A390 VanDerWaalsContact C-N 3.25Å; L388-A390 PolarHBondContact O-N 3.08Å; A390-I392 VanDerWaalsContact C-N 3.34Å; A390-I392 PolarHBondContact O-N 3.31Å; A390-R393 PolarHBondContact O-N 3.5Å; A390-R393 VanDerWaalsContact O-N 3.09Å; A390-E394 PolarHBondContact O-N 3.26Å |
| 391 | K | 89.5 | Confident | 92.1 | Very high | 84 Ų | 84 | 83.9 Ų | 83.9 | 37% | 0.365 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.6 | -33.2 | -178.8 | -164.4 | 52.9 | 163.9 | -175.6 | 0 | 113.1 | D387 L388 R393 E394 L395 | D387-K391 PolarHBondContact O-N 3.04Å; L388-K391 PolarHBondContact O-N 3.08Å; K391-R393 VanDerWaalsContact C-N 3.35Å; K391-E394 HydrophobicContact CD-CB 4.38Å; K391-E394 WeakPolarHBondContact CD-OE2 3.5Å; K391-E394 IonicContact NZ-OE1 2.7Å; K391-E394 PolarHBondContact NZ-OE1 3.01Å; K391-E394 IonicContact NZ-OE2 2.83Å; K391-E394 PolarHBondContact NZ-OE2 3.49Å; K391-L395 HydrophobicContact CD-CD1 4.31Å; K391-L395 HydrophobicContact CD-CG 4.15Å; K391-L395 HydrophobicContact CG-CD1 3.94Å; K391-L395 HydrophobicContact CG-CG 4.28Å; K391-L395 VanDerWaalsContact O-CB 3.3Å; K391-L395 WeakPolarHBondContact O-CB 3.45Å; K391-L395 VanDerWaalsContact O-CG 3.24Å; K391-L395 WeakPolarHBondContact O-CG 3.26Å; K391-L395 PolarHBondContact O-N 3Å |
| 392 | I | 91.8 | Very high | 92.2 | Very high | 93 Ų | 93 | 84.5 Ų | 84.5 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 171.5 | -72 | 164.3 | 0 | 0 | 0 | 111.3 | L388 A390 N396 | L388-I392 WeakPolarHBondContact O-CB 3.38Å; L388-I392 WeakPolarHBondContact O-CD1 3.49Å; L388-I392 WeakPolarHBondContact O-CG1 3.31Å; L388-I392 PolarHBondContact O-N 2.84Å; A390-I392 VanDerWaalsContact C-N 3.34Å; A390-I392 PolarHBondContact O-N 3.31Å; I392-N396 VanDerWaalsContact O-CB 3.31Å; I392-N396 WeakPolarHBondContact O-CB 3.37Å; I392-N396 PolarHBondContact O-N 2.91Å; I392-N396 VanDerWaalsContact O-N 3.12Å; I392-N396 PolarHBondContact O-ND2 3.3Å |
| 393 | R | 94.2 | Very high | 92.3 | Very high | 148 Ų | 148 | 83.8 Ų | 83.8 | 56% | 0.558 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -68.7 | -51.6 | 175.5 | -72.1 | 177.9 | -67.5 | 113.2 | -6.6 | 110.7 | H389 A390 K391 L395 N396 D397 | H389-R393 WeakPolarHBondContact O-CG 3.19Å; H389-R393 PolarHBondContact O-NE 3Å; A390-R393 PolarHBondContact O-N 3.5Å; A390-R393 VanDerWaalsContact O-N 3.09Å; K391-R393 VanDerWaalsContact C-N 3.35Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 2.88Å; R393-N396 PolarHBondContact O-N 3.08Å; R393-D397 WeakPolarHBondContact O-CB 3.31Å; R393-D397 PolarHBondContact O-N 2.8Å |
| 394 | E | 91.8 | Very high | 92.6 | Very high | 98 Ų | 98 | 85.5 Ų | 85.5 | 46% | 0.458 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -51.9 | -47.7 | 178 | -167.5 | -155.3 | 137.4 | 0 | 0 | 112.5 | A390 K391 D397 E398 | A390-E394 PolarHBondContact O-N 3.26Å; K391-E394 HydrophobicContact CD-CB 4.38Å; K391-E394 WeakPolarHBondContact CD-OE2 3.5Å; K391-E394 IonicContact NZ-OE1 2.7Å; K391-E394 PolarHBondContact NZ-OE1 3.01Å; K391-E394 IonicContact NZ-OE2 2.83Å; K391-E394 PolarHBondContact NZ-OE2 3.49Å; E394-D397 PolarHBondContact O-N 2.94Å; E394-E398 VanDerWaalsContact O-CB 3.27Å; E394-E398 WeakPolarHBondContact O-CB 3.45Å; E394-E398 PolarHBondContact O-N 3.11Å |
| 395 | L | 91.3 | Very high | 92.9 | Very high | 74 Ų | 74 | 88.3 Ų | 88.3 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.4 | -30.2 | 179.1 | -69.6 | 171.9 | 0 | 0 | 0 | 113.3 | K391 R393 L399 | K391-L395 HydrophobicContact CD-CD1 4.31Å; K391-L395 HydrophobicContact CD-CG 4.15Å; K391-L395 HydrophobicContact CG-CD1 3.94Å; K391-L395 HydrophobicContact CG-CG 4.28Å; K391-L395 VanDerWaalsContact O-CB 3.3Å; K391-L395 WeakPolarHBondContact O-CB 3.45Å; K391-L395 VanDerWaalsContact O-CG 3.24Å; K391-L395 WeakPolarHBondContact O-CG 3.26Å; K391-L395 PolarHBondContact O-N 3Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 2.88Å; L395-L399 WeakPolarHBondContact O-CB 3.43Å; L395-L399 PolarHBondContact O-N 3.28Å |
| 396 | N | 96.1 | Very high | 93.1 | Very high | 93 Ų | 93 | 88.8 Ų | 88.8 | 50% | 0.497 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.4 | -41.2 | 173.8 | -74.9 | -11.3 | 0 | 0 | 0 | 111.4 | I392 R393 L399 M400 | I392-N396 VanDerWaalsContact O-CB 3.31Å; I392-N396 WeakPolarHBondContact O-CB 3.37Å; I392-N396 PolarHBondContact O-N 2.91Å; I392-N396 VanDerWaalsContact O-N 3.12Å; I392-N396 PolarHBondContact O-ND2 3.3Å; R393-N396 PolarHBondContact O-N 3.08Å; N396-L399 PolarHBondContact O-N 2.9Å; N396-M400 WeakPolarHBondContact O-CB 3.26Å; N396-M400 PolarHBondContact O-N 2.77Å |
| 397 | D | 96.6 | Very high | 93.3 | Very high | 83 Ų | 83 | 88.6 Ų | 88.6 | 44% | 0.444 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 176.1 | -62.4 | -27.5 | 0 | 0 | 0 | 110.3 | R393 E394 Q401 | R393-D397 WeakPolarHBondContact O-CB 3.31Å; R393-D397 PolarHBondContact O-N 2.8Å; E394-D397 PolarHBondContact O-N 2.94Å; D397-Q401 VanDerWaalsContact C-NE2 3.35Å; D397-Q401 WeakPolarHBondContact O-CG 3.31Å; D397-Q401 PolarHBondContact O-N 2.79Å; D397-Q401 VanDerWaalsContact O-N 3.08Å; D397-Q401 PolarHBondContact O-NE2 3Å |
| 398 | E | 94 | Very high | 93.6 | Very high | 54 Ų | 54 | 89 Ų | 89 | 25% | 0.252 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 172 | -174.2 | -173.8 | -163.9 | 0 | 0 | 111.5 | R347 E394 M400 Q401 L402 | R347-E398 IonicContact CZ-OE1 3.06Å; R347-E398 IonicContact CZ-OE2 3.58Å; R347-E398 IonicContact NH1-OE1 2.73Å; R347-E398 PolarHBondContact NH1-OE1 3.24Å; R347-E398 IonicContact NH1-OE2 3.85Å; R347-E398 PolarHBondContact NH1-OE2 3.02Å; R347-E398 IonicContact NH2-OE1 2.72Å; R347-E398 PolarHBondContact NH2-OE1 3.3Å; E394-E398 VanDerWaalsContact O-CB 3.27Å; E394-E398 WeakPolarHBondContact O-CB 3.45Å; E394-E398 PolarHBondContact O-N 3.11Å; E398-M400 VanDerWaalsContact C-N 3.29Å; E398-M400 PolarHBondContact O-N 3.28Å; E398-Q401 PolarHBondContact O-N 2.76Å; E398-L402 HydrophobicContact CG-CD1 3.94Å; E398-L402 HydrophobicContact CG-CG 4.37Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 2.65Å |
| 399 | L | 96.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 88.1 Ų | 88.1 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 177.4 | 176.7 | 61.4 | 0 | 0 | 0 | 111.6 | L395 N396 L402 L403 | L395-L399 WeakPolarHBondContact O-CB 3.43Å; L395-L399 PolarHBondContact O-N 3.28Å; N396-L399 PolarHBondContact O-N 2.9Å; L399-L402 PolarHBondContact O-N 3.33Å; L399-L403 HydrophobicContact CD1-CD1 4.09Å; L399-L403 HydrophobicContact CD1-CG 4.18Å; L399-L403 HydrophobicContact CG-CD1 4.02Å; L399-L403 WeakPolarHBondContact O-CB 3.27Å; L399-L403 VanDerWaalsContact O-CG 3.24Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.01Å |
| 400 | M | 96.8 | Very high | 93.8 | Very high | 121 Ų | 121 | 86.3 Ų | 86.3 | 60% | 0.596 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62 | -46.2 | 175.7 | -169.5 | -170.5 | -55.4 | 0 | 0 | 111.4 | N396 E398 L403 V404 | N396-M400 WeakPolarHBondContact O-CB 3.26Å; N396-M400 PolarHBondContact O-N 2.77Å; E398-M400 VanDerWaalsContact C-N 3.29Å; E398-M400 PolarHBondContact O-N 3.28Å; M400-L403 PolarHBondContact O-N 3.21Å; M400-V404 WeakPolarHBondContact O-CG2 3.21Å; M400-V404 PolarHBondContact O-N 3.02Å |
| 401 | Q | 96.6 | Very high | 93.9 | Very high | 134 Ų | 134 | 91.4 Ų | 91.4 | 63% | 0.626 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 176.3 | -74.7 | 165 | 79.1 | 0 | 0 | 112 | D397 E398 L403 V404 Q405 | D397-Q401 VanDerWaalsContact C-NE2 3.35Å; D397-Q401 WeakPolarHBondContact O-CG 3.31Å; D397-Q401 PolarHBondContact O-N 2.79Å; D397-Q401 VanDerWaalsContact O-N 3.08Å; D397-Q401 PolarHBondContact O-NE2 3Å; E398-Q401 PolarHBondContact O-N 2.76Å; Q401-L403 VanDerWaalsContact C-N 3.35Å; Q401-L403 PolarHBondContact O-N 2.83Å; Q401-V404 PolarHBondContact O-N 3.04Å; Q401-Q405 WeakPolarHBondContact O-CB 3.25Å; Q401-Q405 PolarHBondContact O-N 3.3Å |
| 402 | L | 92.4 | Very high | 94.2 | Very high | 75 Ų | 75 | 91.8 Ų | 91.8 | 39% | 0.393 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.9 | -34.4 | 178.1 | -70.2 | 172.5 | 0 | 0 | 0 | 112.6 | E398 L399 K406 | E398-L402 HydrophobicContact CG-CD1 3.94Å; E398-L402 HydrophobicContact CG-CG 4.37Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 2.65Å; L399-L402 PolarHBondContact O-N 3.33Å; L402-K406 VanDerWaalsContact O-CB 3.27Å; L402-K406 WeakPolarHBondContact O-CB 3.37Å; L402-K406 PolarHBondContact O-N 2.74Å |
| 403 | L | 94.5 | Very high | 94.2 | Very high | 82 Ų | 82 | 90.5 Ų | 90.5 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.2 | -46.6 | 173.8 | -74 | 169.4 | 0 | 0 | 0 | 111.8 | L399 M400 Q401 Q405 K406 D407 | L399-L403 HydrophobicContact CD1-CD1 4.09Å; L399-L403 HydrophobicContact CD1-CG 4.18Å; L399-L403 HydrophobicContact CG-CD1 4.02Å; L399-L403 WeakPolarHBondContact O-CB 3.27Å; L399-L403 VanDerWaalsContact O-CG 3.24Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.01Å; M400-L403 PolarHBondContact O-N 3.21Å; Q401-L403 VanDerWaalsContact C-N 3.35Å; Q401-L403 PolarHBondContact O-N 2.83Å; L403-Q405 VanDerWaalsContact C-N 3.31Å; L403-Q405 PolarHBondContact O-N 3.26Å; L403-K406 WeakPolarHBondContact O-CB 3.37Å; L403-K406 PolarHBondContact O-N 3.13Å; L403-D407 PolarHBondContact O-N 3.02Å |
| 404 | V | 95.4 | Very high | 94.2 | Very high | 89 Ų | 89 | 88.1 Ų | 88.1 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | M400 Q401 D407 T408 | M400-V404 WeakPolarHBondContact O-CG2 3.21Å; M400-V404 PolarHBondContact O-N 3.02Å; Q401-V404 PolarHBondContact O-N 3.04Å; V404-D407 PolarHBondContact O-N 2.74Å; V404-T408 WeakPolarHBondContact O-CB 3.48Å; V404-T408 PolarHBondContact O-N 3.21Å; V404-T408 PolarHBondContact O-OG1 2.99Å |
| 405 | Q | 94.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 86.7 Ų | 86.7 | 32% | 0.318 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 174.5 | -172.6 | -177.4 | 0.5 | 0 | 0 | 111.7 | Q401 L403 D407 T408 L409 | Q401-Q405 WeakPolarHBondContact O-CB 3.25Å; Q401-Q405 PolarHBondContact O-N 3.3Å; L403-Q405 VanDerWaalsContact C-N 3.31Å; L403-Q405 PolarHBondContact O-N 3.26Å; Q405-D407 VanDerWaalsContact C-N 3.34Å; Q405-D407 PolarHBondContact O-N 3.05Å; Q405-T408 WeakPolarHBondContact O-CB 3.38Å; Q405-T408 PolarHBondContact O-N 2.81Å; Q405-L409 HydrophobicContact CG-CD1 4.19Å; Q405-L409 WeakPolarHBondContact O-CG 3.41Å; Q405-L409 PolarHBondContact O-N 2.79Å |
| 406 | K | 93.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 87.8 Ų | 87.8 | 36% | 0.361 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 175.4 | -174.7 | -157.8 | 66.3 | 62.7 | 0 | 111.5 | L402 L403 L409 H410 | L402-K406 VanDerWaalsContact O-CB 3.27Å; L402-K406 WeakPolarHBondContact O-CB 3.37Å; L402-K406 PolarHBondContact O-N 2.74Å; L403-K406 WeakPolarHBondContact O-CB 3.37Å; L403-K406 PolarHBondContact O-N 3.13Å; K406-L409 PolarHBondContact O-N 3.42Å; K406-H410 PolarHBondContact NZ-CD2 2.88Å; K406-H410 PolarHBondContact NZ-NE2 2.96Å; K406-H410 VanDerWaalsContact NZ-NE2 3.16Å; K406-H410 PolarHBondContact O-CD2 3.47Å; K406-H410 PolarHBondContact O-N 3.3Å |
| 407 | D | 95.6 | Very high | 94.1 | Very high | 87 Ų | 87 | 87.9 Ų | 87.9 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.4 | -33.6 | 178.3 | -68 | -22.5 | 0 | 0 | 0 | 112.3 | L403 V404 Q405 H410 M411 | L403-D407 PolarHBondContact O-N 3.02Å; V404-D407 PolarHBondContact O-N 2.74Å; Q405-D407 VanDerWaalsContact C-N 3.34Å; Q405-D407 PolarHBondContact O-N 3.05Å; D407-H410 PolarHBondContact O-N 3.19Å; D407-H410 IonicContact OD1-CD2 2.68Å; D407-M411 PolarHBondContact O-N 3.44Å |
| 408 | T | 95 | Very high | 94 | Very high | 80 Ų | 80 | 87.8 Ų | 87.8 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 170.3 | -54 | 0 | 0 | 0 | 0 | 111.5 | V404 Q405 M411 E412 | V404-T408 WeakPolarHBondContact O-CB 3.48Å; V404-T408 PolarHBondContact O-N 3.21Å; V404-T408 PolarHBondContact O-OG1 2.99Å; Q405-T408 WeakPolarHBondContact O-CB 3.38Å; Q405-T408 PolarHBondContact O-N 2.81Å; T408-M411 WeakPolarHBondContact O-CB 3.37Å; T408-M411 PolarHBondContact O-N 3.3Å; T408-E412 PolarHBondContact O-N 2.56Å |
| 409 | L | 91.3 | Very high | 94 | Very high | 72 Ų | 72 | 89.4 Ų | 89.4 | 38% | 0.377 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.3 | -32 | 177.7 | -70.1 | 168.4 | 0 | 0 | 0 | 112.8 | L44 Q405 K406 Q413 | L44-L409 HydrophobicContact CD1-CD2 4.03Å; Q405-L409 HydrophobicContact CG-CD1 4.19Å; Q405-L409 WeakPolarHBondContact O-CG 3.41Å; Q405-L409 PolarHBondContact O-N 2.79Å; K406-L409 PolarHBondContact O-N 3.42Å; L409-Q413 VanDerWaalsContact O-CB 3.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.26Å; L409-Q413 PolarHBondContact O-N 3.43Å |
| 410 | H | 92.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 30% | 0.296 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 169.3 | -73.3 | -58.4 | 0 | 0 | 0 | 111.8 | K406 D407 E412 Q413 D414 | K406-H410 PolarHBondContact NZ-CD2 2.88Å; K406-H410 PolarHBondContact NZ-NE2 2.96Å; K406-H410 VanDerWaalsContact NZ-NE2 3.16Å; K406-H410 PolarHBondContact O-CD2 3.47Å; K406-H410 PolarHBondContact O-N 3.3Å; D407-H410 PolarHBondContact O-N 3.19Å; D407-H410 IonicContact OD1-CD2 2.68Å; H410-E412 VanDerWaalsContact C-N 3.33Å; H410-E412 PolarHBondContact O-N 3.35Å; H410-Q413 WeakPolarHBondContact O-CB 3.25Å; H410-Q413 PolarHBondContact O-N 3.42Å; H410-D414 WeakPolarHBondContact O-CB 3.4Å; H410-D414 PolarHBondContact O-N 2.89Å |
| 411 | M | 94 | Very high | 93.3 | Very high | 141 Ų | 141 | 86 Ų | 86 | 70% | 0.695 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.1 | -38.5 | 176.7 | -166.1 | -175.7 | -56.4 | 0 | 0 | 112 | D407 T408 S415 | D407-M411 PolarHBondContact O-N 3.44Å; T408-M411 WeakPolarHBondContact O-CB 3.37Å; T408-M411 PolarHBondContact O-N 3.3Å; M411-S415 WeakPolarHBondContact O-CB 3.48Å; M411-S415 PolarHBondContact O-N 3.5Å |
| 412 | E | 93.9 | Very high | 93.2 | Very high | 93 Ų | 93 | 83.8 Ų | 83.8 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 171.7 | -169.5 | -177.5 | 168.8 | 0 | 0 | 111.4 | T408 H410 S415 M416 | T408-E412 PolarHBondContact O-N 2.56Å; H410-E412 VanDerWaalsContact C-N 3.33Å; H410-E412 PolarHBondContact O-N 3.35Å; E412-S415 PolarHBondContact O-N 3.23Å; E412-M416 HydrophobicContact CG-CE 4.27Å; E412-M416 WeakPolarHBondContact O-CG 3.42Å; E412-M416 PolarHBondContact O-N 3.1Å |
| 413 | Q | 92.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 85.8 Ų | 85.8 | 31% | 0.308 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61 | -47 | 174.8 | 170.2 | 167.6 | 59.5 | 0 | 0 | 112.6 | L409 H410 S415 M416 L417 | L409-Q413 VanDerWaalsContact O-CB 3.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.26Å; L409-Q413 PolarHBondContact O-N 3.43Å; H410-Q413 WeakPolarHBondContact O-CB 3.25Å; H410-Q413 PolarHBondContact O-N 3.42Å; Q413-S415 VanDerWaalsContact C-N 3.33Å; Q413-S415 PolarHBondContact O-N 2.89Å; Q413-M416 PolarHBondContact O-N 2.91Å; Q413-L417 HydrophobicContact CG-CD1 4Å; Q413-L417 HydrophobicContact CG-CG 4.48Å; Q413-L417 VanDerWaalsContact O-CG 3.31Å; Q413-L417 WeakPolarHBondContact O-CG 3.18Å; Q413-L417 PolarHBondContact O-N 3.42Å |
| 414 | D | 93.8 | Very high | 92.7 | Very high | 97 Ų | 97 | 87.4 Ų | 87.4 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 179.9 | -73.1 | -19.9 | 0 | 0 | 0 | 111 | H410 L417 V418 | H410-D414 WeakPolarHBondContact O-CB 3.4Å; H410-D414 PolarHBondContact O-N 2.89Å; D414-L417 PolarHBondContact O-N 2.87Å; D414-V418 WeakPolarHBondContact O-CG2 3.42Å; D414-V418 PolarHBondContact O-N 3.11Å |
| 415 | S | 93.9 | Very high | 92.3 | Very high | 68 Ų | 68 | 86.5 Ų | 86.5 | 48% | 0.476 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.6 | -50.5 | 170.9 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | M411 E412 Q413 L417 V418 D419 | M411-S415 WeakPolarHBondContact O-CB 3.48Å; M411-S415 PolarHBondContact O-N 3.5Å; E412-S415 PolarHBondContact O-N 3.23Å; Q413-S415 VanDerWaalsContact C-N 3.33Å; Q413-S415 PolarHBondContact O-N 2.89Å; S415-L417 VanDerWaalsContact C-N 3.26Å; S415-L417 PolarHBondContact O-N 3.14Å; S415-V418 WeakPolarHBondContact O-CB 3.42Å; S415-V418 PolarHBondContact O-N 3.13Å; S415-V418 VanDerWaalsContact O-N 3.11Å; S415-D419 PolarHBondContact O-N 3.49Å |
| 416 | M | 93.2 | Very high | 91.8 | Very high | 97 Ų | 97 | 89 Ų | 89 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.7 | -33.3 | 177.4 | -71.8 | -173.5 | -70 | 0 | 0 | 112.7 | E412 Q413 D419 I420 | E412-M416 HydrophobicContact CG-CE 4.27Å; E412-M416 WeakPolarHBondContact O-CG 3.42Å; E412-M416 PolarHBondContact O-N 3.1Å; Q413-M416 PolarHBondContact O-N 2.91Å; M416-D419 PolarHBondContact O-N 3.37Å; M416-I420 WeakPolarHBondContact O-CB 3.43Å; M416-I420 WeakPolarHBondContact O-CD1 3.42Å; M416-I420 WeakPolarHBondContact O-CG1 3.48Å; M416-I420 PolarHBondContact O-N 2.87Å |
| 417 | L | 90.3 | Very high | 90.9 | Very high | 95 Ų | 95 | 92.6 Ų | 92.6 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.3 | -34 | 175.6 | -72.3 | 172.3 | 0 | 0 | 0 | 112.3 | Q413 D414 S415 A421 | Q413-L417 HydrophobicContact CG-CD1 4Å; Q413-L417 HydrophobicContact CG-CG 4.48Å; Q413-L417 VanDerWaalsContact O-CG 3.31Å; Q413-L417 WeakPolarHBondContact O-CG 3.18Å; Q413-L417 PolarHBondContact O-N 3.42Å; D414-L417 PolarHBondContact O-N 2.87Å; S415-L417 VanDerWaalsContact C-N 3.26Å; S415-L417 PolarHBondContact O-N 3.14Å; L417-A421 WeakPolarHBondContact O-CB 3.35Å; L417-A421 PolarHBondContact O-N 2.9Å |
| 418 | V | 94.7 | Very high | 89.6 | Confident | 82 Ų | 82 | 93.8 Ų | 93.8 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.7 | -48.1 | 170.3 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | D414 S415 I420 A421 D422 | D414-V418 WeakPolarHBondContact O-CG2 3.42Å; D414-V418 PolarHBondContact O-N 3.11Å; S415-V418 WeakPolarHBondContact O-CB 3.42Å; S415-V418 PolarHBondContact O-N 3.13Å; S415-V418 VanDerWaalsContact O-N 3.11Å; V418-I420 VanDerWaalsContact C-N 3.27Å; V418-I420 PolarHBondContact O-N 3.24Å; V418-A421 WeakPolarHBondContact O-CB 3.46Å; V418-A421 PolarHBondContact O-N 3.47Å; V418-D422 PolarHBondContact O-N 2.91Å |
| 419 | D | 94.4 | Very high | 88.3 | Confident | 88 Ų | 88 | 95 Ų | 95 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55.6 | -42.6 | 176.7 | -68.1 | -44.5 | 0 | 0 | 0 | 111.7 | S415 M416 L423 | S415-D419 PolarHBondContact O-N 3.49Å; M416-D419 PolarHBondContact O-N 3.37Å; D419-L423 WeakPolarHBondContact O-CB 3.37Å; D419-L423 WeakPolarHBondContact O-CD1 3.46Å; D419-L423 WeakPolarHBondContact O-CG 3.25Å; D419-L423 PolarHBondContact O-N 3.25Å |
| 420 | I | 88.5 | Confident | 87 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 175.3 | -71 | 164.2 | 0 | 0 | 0 | 111.5 | M416 V418 L424 | M416-I420 WeakPolarHBondContact O-CB 3.43Å; M416-I420 WeakPolarHBondContact O-CD1 3.42Å; M416-I420 WeakPolarHBondContact O-CG1 3.48Å; M416-I420 PolarHBondContact O-N 2.87Å; V418-I420 VanDerWaalsContact C-N 3.27Å; V418-I420 PolarHBondContact O-N 3.24Å; I420-L424 HydrophobicContact CG2-CD1 3.94Å; I420-L424 WeakPolarHBondContact O-CB 3.45Å; I420-L424 VanDerWaalsContact O-CG 3.25Å; I420-L424 WeakPolarHBondContact O-CG 3.32Å; I420-L424 PolarHBondContact O-N 3.07Å |
| 421 | A | 90.8 | Very high | 84.9 | Confident | 53 Ų | 53 | 97.4 Ų | 97.4 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L417 V418 L424 Q425 | L417-A421 WeakPolarHBondContact O-CB 3.35Å; L417-A421 PolarHBondContact O-N 2.9Å; V418-A421 WeakPolarHBondContact O-CB 3.46Å; V418-A421 PolarHBondContact O-N 3.47Å; A421-L424 PolarHBondContact O-N 3.18Å; A421-Q425 WeakPolarHBondContact O-CB 3.36Å; A421-Q425 PolarHBondContact O-N 2.83Å |
| 422 | D | 92.8 | Very high | 82.9 | Confident | 89 Ų | 89 | 95.4 Ų | 95.4 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 178 | -76.1 | -10 | 0 | 0 | 0 | 111.2 | V418 L424 Q425 H426 | V418-D422 PolarHBondContact O-N 2.91Å; D422-L424 VanDerWaalsContact C-N 3.29Å; D422-L424 PolarHBondContact O-N 2.92Å; D422-Q425 PolarHBondContact O-N 3.29Å; D422-H426 WeakPolarHBondContact O-CB 3.46Å; D422-H426 PolarHBondContact O-CD2 2.84Å; D422-H426 PolarHBondContact O-N 3.43Å |
| 423 | L | 90.7 | Very high | 80.9 | Confident | 117 Ų | 117 | 94.9 Ų | 94.9 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.7 | -37.1 | 173.7 | -75 | 170.1 | 0 | 0 | 0 | 112.9 | D419 R427 | D419-L423 WeakPolarHBondContact O-CB 3.37Å; D419-L423 WeakPolarHBondContact O-CD1 3.46Å; D419-L423 WeakPolarHBondContact O-CG 3.25Å; D419-L423 PolarHBondContact O-N 3.25Å; L423-R427 PolarHBondContact O-N 2.92Å |
| 424 | L | 86.2 | Confident | 79 | Confident | 115 Ų | 115 | 97 Ų | 97 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72.4 | -38 | 175.8 | -71.8 | 170.5 | 0 | 0 | 0 | 112.3 | I420 A421 D422 K428 | I420-L424 HydrophobicContact CG2-CD1 3.94Å; I420-L424 WeakPolarHBondContact O-CB 3.45Å; I420-L424 VanDerWaalsContact O-CG 3.25Å; I420-L424 WeakPolarHBondContact O-CG 3.32Å; I420-L424 PolarHBondContact O-N 3.07Å; A421-L424 PolarHBondContact O-N 3.18Å; D422-L424 VanDerWaalsContact C-N 3.29Å; D422-L424 PolarHBondContact O-N 2.92Å; L424-K428 PolarHBondContact O-N 3Å |
| 425 | Q | 88 | Confident | 76.9 | Confident | 71 Ų | 71 | 95.8 Ų | 95.8 | 33% | 0.332 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.6 | -41.9 | 177.2 | 179.9 | 53.3 | 39 | 0 | 0 | 111.7 | A421 D422 R427 K428 D429 | A421-Q425 WeakPolarHBondContact O-CB 3.36Å; A421-Q425 PolarHBondContact O-N 2.83Å; D422-Q425 PolarHBondContact O-N 3.29Å; Q425-R427 PolarHBondContact O-N 2.74Å; Q425-K428 WeakPolarHBondContact O-CB 3.42Å; Q425-K428 PolarHBondContact O-N 3.03Å; Q425-K428 VanDerWaalsContact O-N 3.1Å; Q425-D429 PolarHBondContact NE2-OD1 3.24Å; Q425-D429 PolarHBondContact NE2-OD2 3.4Å; Q425-D429 PolarHBondContact O-N 3.2Å; Q425-D429 VanDerWaalsContact O-N 3.08Å |
| 426 | H | 82.4 | Confident | 74.8 | Confident | 121 Ų | 121 | 95.7 Ų | 95.7 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.3 | -48.5 | 173.4 | -85.7 | -123.1 | 0 | 0 | 0 | 111.8 | D422 K428 D429 E430 | D422-H426 WeakPolarHBondContact O-CB 3.46Å; D422-H426 PolarHBondContact O-CD2 2.84Å; D422-H426 PolarHBondContact O-N 3.43Å; H426-K428 VanDerWaalsContact C-N 3.25Å; H426-K428 PolarHBondContact O-N 3.34Å; H426-D429 PolarHBondContact O-N 2.87Å; H426-E430 WeakPolarHBondContact O-CB 3.41Å; H426-E430 WeakPolarHBondContact O-CG 3.35Å; H426-E430 PolarHBondContact O-N 3.31Å |
| 427 | R | 74 | Confident | 73 | Confident | 158 Ų | 158 | 95.6 Ų | 95.6 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -34.7 | 176.1 | -75.4 | -166.9 | -170.2 | -171.4 | 8.4 | 113.2 | L423 Q425 S431 | L423-R427 PolarHBondContact O-N 2.92Å; Q425-R427 PolarHBondContact O-N 2.74Å; R427-S431 WeakPolarHBondContact O-CB 3.39Å; R427-S431 PolarHBondContact O-N 3.39Å; R427-S431 PolarHBondContact O-OG 3.24Å |
| 428 | K | 68.6 | Low | 71.2 | Confident | 111 Ų | 111 | 96.9 Ų | 96.9 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.6 | -36.2 | -180 | 170.6 | 179.2 | 155.3 | -147.2 | 0 | 112 | L424 Q425 H426 L435 | L424-K428 PolarHBondContact O-N 3Å; Q425-K428 WeakPolarHBondContact O-CB 3.42Å; Q425-K428 PolarHBondContact O-N 3.03Å; Q425-K428 VanDerWaalsContact O-N 3.1Å; H426-K428 VanDerWaalsContact C-N 3.25Å; H426-K428 PolarHBondContact O-N 3.34Å; K428-L435 HydrophobicContact CB-CD1 3.87Å; K428-L435 HydrophobicContact CG-CD1 3.81Å |
| 429 | D | 68.8 | Low | 69.4 | Low | 107 Ų | 107 | 97 Ų | 97 | 57% | 0.572 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -79.9 | -33.2 | 177.4 | -62.6 | -23.1 | 0 | 0 | 0 | 112.1 | Q425 H426 | Q425-D429 PolarHBondContact NE2-OD1 3.24Å; Q425-D429 PolarHBondContact NE2-OD2 3.4Å; Q425-D429 PolarHBondContact O-N 3.2Å; Q425-D429 VanDerWaalsContact O-N 3.08Å; H426-D429 PolarHBondContact O-N 2.87Å |
| 430 | E | 63.2 | Low | 67.6 | Low | 160 Ų | 160 | 96.2 Ų | 96.2 | 75% | 0.748 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -76 | -24.3 | 175.1 | -71.7 | -175.3 | 166.1 | 0 | 0 | 114.2 | H426 P432 | H426-E430 WeakPolarHBondContact O-CB 3.41Å; H426-E430 WeakPolarHBondContact O-CG 3.35Å; H426-E430 PolarHBondContact O-N 3.31Å; E430-P432 VanDerWaalsContact C-CD 3.46Å |
| 431 | S | 49.5 | Very low | 65.8 | Low | 26 Ų | 26 | 98.1 Ų | 98.1 | 18% | 0.182 | 52% | 0.516 | C | S | . | . | trans | -129.7 | 49.2 | -171.6 | 74.2 | 0 | 0 | 0 | 0 | 117.1 | R427 S433 L434 L435 | R427-S431 WeakPolarHBondContact O-CB 3.39Å; R427-S431 PolarHBondContact O-N 3.39Å; R427-S431 PolarHBondContact O-OG 3.24Å; S431-S433 PolarHBondContact O-N 2.63Å; S431-L434 PolarHBondContact O-N 3.02Å; S431-L435 PolarHBondContact O-N 3.1Å | ||
| 432 | P | 50.4 | Low | 63.6 | Low | 98 Ų | 98 | 100.2 Ų | 100.2 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.6 | -19.3 | 175.7 | 25.8 | -35.3 | 0 | 0 | 0 | 113.9 | E430 | E430-P432 VanDerWaalsContact C-CD 3.46Å |
| 433 | S | 52.4 | Low | 61.7 | Low | 82 Ų | 82 | 99.1 Ų | 99.1 | 57% | 0.573 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -80.8 | -30.4 | 174.1 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | S431 S436 | S431-S433 PolarHBondContact O-N 2.63Å; S433-S436 WeakPolarHBondContact O-CB 3.5Å |
| 434 | L | 52.2 | Low | 59.8 | Low | 111 Ų | 111 | 98.1 Ų | 98.1 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -89.1 | -35.5 | -177.6 | -63.7 | -179.2 | 0 | 0 | 0 | 112.1 | S431 S436 N437 F438 | S431-L434 PolarHBondContact O-N 3.02Å; L434-S436 PolarHBondContact O-N 3.44Å; L434-N437 WeakPolarHBondContact O-CB 3.44Å; L434-N437 PolarHBondContact O-N 3.08Å; L434-F438 PolarHBondContact O-N 2.92Å |
| 435 | L | 50.5 | Low | 57.9 | Low | 72 Ų | 72 | 96.4 Ų | 96.4 | 38% | 0.377 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -27.2 | 170.6 | -73.2 | 178.1 | 0 | 0 | 0 | 112.3 | K428 S431 N437 F438 V439 | K428-L435 HydrophobicContact CB-CD1 3.87Å; K428-L435 HydrophobicContact CG-CD1 3.81Å; S431-L435 PolarHBondContact O-N 3.1Å; L435-N437 VanDerWaalsContact C-N 3.28Å; L435-N437 PolarHBondContact O-N 2.8Å; L435-F438 PolarHBondContact O-N 3.23Å; L435-V439 VanDerWaalsContact O-CB 3.28Å; L435-V439 WeakPolarHBondContact O-CB 3.41Å; L435-V439 VanDerWaalsContact O-CG2 3.24Å; L435-V439 WeakPolarHBondContact O-CG2 3.4Å; L435-V439 PolarHBondContact O-N 3.02Å |
| 436 | S | 49.5 | Very low | 56.2 | Low | 65 Ų | 65 | 96.8 Ų | 96.8 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -53.4 | -45.9 | 169.1 | -172 | 0 | 0 | 0 | 0 | 111.5 | S433 L434 T440 | S433-S436 WeakPolarHBondContact O-CB 3.5Å; L434-S436 PolarHBondContact O-N 3.44Å; S436-T440 WeakPolarHBondContact O-CG2 3.36Å; S436-T440 PolarHBondContact O-N 2.87Å; S436-T440 PolarHBondContact O-OG1 3.07Å; S436-T440 VanDerWaalsContact O-OG1 3.07Å |
| 437 | N | 54.5 | Low | 54.6 | Low | 96 Ų | 96 | 97 Ų | 97 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.1 | -47.6 | -178.5 | -63 | -18.2 | 0 | 0 | 0 | 111.4 | L434 L435 V439 T440 E441 | L434-N437 WeakPolarHBondContact O-CB 3.44Å; L434-N437 PolarHBondContact O-N 3.08Å; L435-N437 VanDerWaalsContact C-N 3.28Å; L435-N437 PolarHBondContact O-N 2.8Å; N437-V439 VanDerWaalsContact C-N 3.34Å; N437-V439 PolarHBondContact O-N 3.23Å; N437-T440 WeakPolarHBondContact CA-OG1 3.47Å; N437-T440 PolarHBondContact O-N 2.95Å; N437-T440 VanDerWaalsContact O-N 3.13Å; N437-T440 PolarHBondContact O-OG1 3.41Å; N437-E441 PolarHBondContact O-N 3.03Å |
| 438 | F | 52.8 | Low | 53.6 | Low | 122 Ų | 122 | 97.3 Ų | 97.3 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 179.2 | -151.4 | -102.1 | 0 | 0 | 0 | 111.9 | L434 L435 E441 L442 | L434-F438 PolarHBondContact O-N 2.92Å; L435-F438 PolarHBondContact O-N 3.23Å; F438-E441 PolarHBondContact O-N 3.25Å; F438-L442 HydrophobicContact CD1-CD1 3.74Å; F438-L442 HydrophobicContact CE1-CD1 3.69Å; F438-L442 HydrophobicContact CG-CD1 4.44Å; F438-L442 HydrophobicContact CZ-CD1 4.35Å; F438-L442 VanDerWaalsContact O-CD1 3.26Å; F438-L442 WeakPolarHBondContact O-CD1 3.25Å; F438-L442 PolarHBondContact O-N 3.32Å |
| 439 | V | 58.2 | Low | 52.6 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69 | -35.4 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L435 N437 E441 T443 | L435-V439 VanDerWaalsContact O-CB 3.28Å; L435-V439 WeakPolarHBondContact O-CB 3.41Å; L435-V439 VanDerWaalsContact O-CG2 3.24Å; L435-V439 WeakPolarHBondContact O-CG2 3.4Å; L435-V439 PolarHBondContact O-N 3.02Å; N437-V439 VanDerWaalsContact C-N 3.34Å; N437-V439 PolarHBondContact O-N 3.23Å; V439-E441 VanDerWaalsContact C-N 3.33Å; V439-E441 PolarHBondContact O-N 2.94Å; V439-T443 HydrophobicContact CG1-CG2 4.18Å; V439-T443 WeakPolarHBondContact O-CB 3.34Å; V439-T443 VanDerWaalsContact O-CG2 3.32Å; V439-T443 WeakPolarHBondContact O-CG2 3.28Å; V439-T443 PolarHBondContact O-N 3.31Å; V439-T443 PolarHBondContact O-OG1 3.5Å |
| 440 | T | 55.1 | Low | 51.8 | Low | 71 Ų | 71 | 96.5 Ų | 96.5 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -31.7 | 171.9 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | S436 N437 T443 T444 | S436-T440 WeakPolarHBondContact O-CG2 3.36Å; S436-T440 PolarHBondContact O-N 2.87Å; S436-T440 PolarHBondContact O-OG1 3.07Å; S436-T440 VanDerWaalsContact O-OG1 3.07Å; N437-T440 WeakPolarHBondContact CA-OG1 3.47Å; N437-T440 PolarHBondContact O-N 2.95Å; N437-T440 VanDerWaalsContact O-N 3.13Å; N437-T440 PolarHBondContact O-OG1 3.41Å; T440-T443 WeakPolarHBondContact CA-OG1 3.46Å; T440-T443 PolarHBondContact O-OG1 3.29Å; T440-T444 WeakPolarHBondContact O-CB 3.47Å; T440-T444 VanDerWaalsContact O-CG2 3.26Å; T440-T444 WeakPolarHBondContact O-CG2 3.48Å; T440-T444 PolarHBondContact O-N 2.77Å; T440-T444 PolarHBondContact O-OG1 3.42Å |
| 441 | E | 52.4 | Low | 51.6 | Low | 131 Ų | 131 | 96.5 Ų | 96.5 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -74.8 | -39 | 177.9 | -160.4 | 159.3 | -162.4 | 0 | 0 | 111.9 | N437 F438 V439 T444 T445 | N437-E441 PolarHBondContact O-N 3.03Å; F438-E441 PolarHBondContact O-N 3.25Å; V439-E441 VanDerWaalsContact C-N 3.33Å; V439-E441 PolarHBondContact O-N 2.94Å; E441-T444 PolarHBondContact O-OG1 3.13Å; E441-T445 PolarHBondContact O-N 3.43Å; E441-T445 PolarHBondContact O-OG1 3.38Å |
| 442 | L | 44.6 | Very low | 51.9 | Low | 97 Ų | 97 | 99.3 Ų | 99.3 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.7 | -33.4 | 169 | -85.6 | 85.4 | 0 | 0 | 0 | 113.3 | F438 T445 T446 | F438-L442 HydrophobicContact CD1-CD1 3.74Å; F438-L442 HydrophobicContact CE1-CD1 3.69Å; F438-L442 HydrophobicContact CG-CD1 4.44Å; F438-L442 HydrophobicContact CZ-CD1 4.35Å; F438-L442 VanDerWaalsContact O-CD1 3.26Å; F438-L442 WeakPolarHBondContact O-CD1 3.25Å; F438-L442 PolarHBondContact O-N 3.32Å; L442-T445 WeakPolarHBondContact CA-OG1 3.3Å; L442-T445 PolarHBondContact O-OG1 2.92Å; L442-T445 VanDerWaalsContact O-OG1 3.05Å; L442-T446 WeakPolarHBondContact O-CB 3.33Å; L442-T446 WeakPolarHBondContact O-CG2 3.32Å; L442-T446 PolarHBondContact O-N 3.3Å; L442-T446 PolarHBondContact O-OG1 2.87Å |
| 443 | T | 51.8 | Low | 52.1 | Low | 67 Ų | 67 | 100.3 Ų | 100.3 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -78.2 | -29.6 | 178.1 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | V439 T440 T446 H447 | V439-T443 HydrophobicContact CG1-CG2 4.18Å; V439-T443 WeakPolarHBondContact O-CB 3.34Å; V439-T443 VanDerWaalsContact O-CG2 3.32Å; V439-T443 WeakPolarHBondContact O-CG2 3.28Å; V439-T443 PolarHBondContact O-N 3.31Å; V439-T443 PolarHBondContact O-OG1 3.5Å; T440-T443 WeakPolarHBondContact CA-OG1 3.46Å; T440-T443 PolarHBondContact O-OG1 3.29Å; T443-T446 VanDerWaalsContact CA-OG1 3.31Å; T443-T446 WeakPolarHBondContact CA-OG1 3.32Å; T443-T446 PolarHBondContact O-OG1 3.03Å; T443-H447 WeakPolarHBondContact O-CB 3.24Å; T443-H447 PolarHBondContact O-N 2.74Å |
| 444 | T | 51.3 | Low | 52.5 | Low | 96 Ų | 96 | 102.6 Ų | 102.6 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.2 | -37.1 | 173.5 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | T440 E441 H447 | T440-T444 WeakPolarHBondContact O-CB 3.47Å; T440-T444 VanDerWaalsContact O-CG2 3.26Å; T440-T444 WeakPolarHBondContact O-CG2 3.48Å; T440-T444 PolarHBondContact O-N 2.77Å; T440-T444 PolarHBondContact O-OG1 3.42Å; E441-T444 PolarHBondContact O-OG1 3.13Å; T444-H447 PolarHBondContact O-N 2.9Å |
| 445 | T | 46.8 | Very low | 52.8 | Low | 79 Ų | 79 | 103.2 Ų | 103.2 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 170.9 | 45.5 | 0 | 0 | 0 | 0 | 111.6 | E441 L442 H447 K448 Y449 | E441-T445 PolarHBondContact O-N 3.43Å; E441-T445 PolarHBondContact O-OG1 3.38Å; L442-T445 WeakPolarHBondContact CA-OG1 3.3Å; L442-T445 PolarHBondContact O-OG1 2.92Å; L442-T445 VanDerWaalsContact O-OG1 3.05Å; T445-H447 VanDerWaalsContact C-N 3.27Å; T445-H447 PolarHBondContact O-N 2.7Å; T445-K448 VanDerWaalsContact O-CB 3.25Å; T445-K448 WeakPolarHBondContact O-CB 3.26Å; T445-K448 PolarHBondContact O-N 2.83Å; T445-K448 VanDerWaalsContact O-N 3.13Å; T445-Y449 WeakPolarHBondContact O-CD2 3.35Å |
| 446 | T | 51.1 | Low | 52.5 | Low | 78 Ų | 78 | 107.7 Ų | 107.7 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.4 | -23.9 | 175.3 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | L442 T443 K448 Y449 D450 | L442-T446 WeakPolarHBondContact O-CB 3.33Å; L442-T446 WeakPolarHBondContact O-CG2 3.32Å; L442-T446 PolarHBondContact O-N 3.3Å; L442-T446 PolarHBondContact O-OG1 2.87Å; T443-T446 VanDerWaalsContact CA-OG1 3.31Å; T443-T446 WeakPolarHBondContact CA-OG1 3.32Å; T443-T446 PolarHBondContact O-OG1 3.03Å; T446-K448 PolarHBondContact O-N 2.67Å; T446-Y449 CarbonylContact O-C 3.54Å; T446-Y449 WeakPolarHBondContact O-CA 3.39Å; T446-Y449 PolarHBondContact O-N 2.92Å; T446-D450 PolarHBondContact O-N 2.94Å |
| 447 | H | 49.5 | Very low | 52.4 | Low | 125 Ų | 125 | 113.6 Ų | 113.6 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.7 | -26.8 | 172.9 | -122.3 | -36.5 | 0 | 0 | 0 | 113.5 | T443 T444 T445 D450 K451 | T443-H447 WeakPolarHBondContact O-CB 3.24Å; T443-H447 PolarHBondContact O-N 2.74Å; T444-H447 PolarHBondContact O-N 2.9Å; T445-H447 VanDerWaalsContact C-N 3.27Å; T445-H447 PolarHBondContact O-N 2.7Å; H447-D450 IonicContact CE1-OD2 3.78Å; H447-D450 IonicContact ND1-OD2 2.61Å; H447-K451 PolarHBondContact O-N 3.42Å |
| 448 | K | 53 | Low | 51.8 | Low | 165 Ų | 165 | 114.3 Ų | 114.3 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.5 | -37.9 | 172.9 | -140.2 | 177.2 | -172.8 | -178.2 | 0 | 111.1 | T445 T446 | T445-K448 VanDerWaalsContact O-CB 3.25Å; T445-K448 WeakPolarHBondContact O-CB 3.26Å; T445-K448 PolarHBondContact O-N 2.83Å; T445-K448 VanDerWaalsContact O-N 3.13Å; T446-K448 PolarHBondContact O-N 2.67Å |
| 449 | Y | 46.5 | Very low | 51.3 | Low | 152 Ų | 152 | 116.7 Ų | 116.7 | 60% | 0.596 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -81.8 | -34.8 | 177.8 | -64.4 | -80.7 | 0 | 0 | 0 | 113.3 | T445 T446 K451 L452 L453 | T445-Y449 WeakPolarHBondContact O-CD2 3.35Å; T446-Y449 CarbonylContact O-C 3.54Å; T446-Y449 WeakPolarHBondContact O-CA 3.39Å; T446-Y449 PolarHBondContact O-N 2.92Å; Y449-K451 PolarHBondContact O-N 2.98Å; Y449-L452 CarbonylContact O-C 3.53Å; Y449-L452 WeakPolarHBondContact O-CA 3.46Å; Y449-L452 WeakPolarHBondContact O-CB 3.34Å; Y449-L452 PolarHBondContact O-N 2.88Å; Y449-L453 PolarHBondContact O-N 3.2Å |
| 450 | D | 52.2 | Low | 50.8 | Low | 50 Ų | 50 | 117.7 Ų | 117.7 | 27% | 0.267 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.9 | -35 | 173.8 | 165.9 | 62.7 | 0 | 0 | 0 | 112 | T446 H447 L452 L453 K454 | T446-D450 PolarHBondContact O-N 2.94Å; H447-D450 IonicContact CE1-OD2 3.78Å; H447-D450 IonicContact ND1-OD2 2.61Å; D450-L452 VanDerWaalsContact C-N 3.3Å; D450-L452 PolarHBondContact O-N 2.94Å; D450-L453 PolarHBondContact O-N 2.99Å; D450-K454 WeakPolarHBondContact O-CB 3.5Å; D450-K454 WeakPolarHBondContact O-CD 3.4Å; D450-K454 WeakPolarHBondContact O-CG 3.46Å; D450-K454 PolarHBondContact O-N 2.72Å; D450-K454 WeakPolarHBondContact OD1-CE 3.31Å; D450-K454 IonicContact OD1-NZ 2.92Å; D450-K454 PolarHBondContact OD1-NZ 3.03Å; D450-K454 IonicContact OD2-NZ 2.67Å; D450-K454 PolarHBondContact OD2-NZ 2.64Å |
| 451 | K | 60.6 | Low | 50.1 | Low | 159 Ų | 159 | 122.6 Ų | 122.6 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.3 | -29.2 | 173.4 | -158.7 | 173.1 | -174.7 | 179.1 | 0 | 112.9 | H447 Y449 I455 | H447-K451 PolarHBondContact O-N 3.42Å; Y449-K451 PolarHBondContact O-N 2.98Å; K451-I455 WeakPolarHBondContact O-CG1 3.06Å |
| 452 | L | 54.9 | Low | 49.3 | Very low | 85 Ų | 85 | 125.8 Ų | 125.8 | 45% | 0.445 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -80.5 | -41.7 | 172.6 | -66.5 | 169 | 0 | 0 | 0 | 111.5 | Y449 D450 K454 I455 F456 | Y449-L452 CarbonylContact O-C 3.53Å; Y449-L452 WeakPolarHBondContact O-CA 3.46Å; Y449-L452 WeakPolarHBondContact O-CB 3.34Å; Y449-L452 PolarHBondContact O-N 2.88Å; D450-L452 VanDerWaalsContact C-N 3.3Å; D450-L452 PolarHBondContact O-N 2.94Å; L452-K454 PolarHBondContact O-N 3.22Å; L452-I455 WeakPolarHBondContact O-CA 3.46Å; L452-I455 WeakPolarHBondContact O-CB 3.5Å; L452-I455 PolarHBondContact O-N 3.27Å; L452-F456 WeakPolarHBondContact O-CD2 3.29Å; L452-F456 PolarHBondContact O-N 3Å |
| 453 | L | 55.5 | Low | 48.8 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 63% | 0.628 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.7 | -28.3 | 172.6 | -101.8 | 67.1 | 0 | 0 | 0 | 112.4 | Y449 D450 R457 | Y449-L453 PolarHBondContact O-N 3.2Å; D450-L453 PolarHBondContact O-N 2.99Å; L453-R457 VanDerWaalsContact O-CB 3.29Å; L453-R457 WeakPolarHBondContact O-CB 3.45Å; L453-R457 PolarHBondContact O-N 2.87Å |
| 454 | K | 59.3 | Low | 48.1 | Very low | 129 Ų | 129 | 131 Ų | 131 | 56% | 0.561 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.7 | -18.2 | 172.7 | -76.7 | 163.3 | 179.7 | 160.1 | 0 | 114.2 | D450 L452 | D450-K454 WeakPolarHBondContact O-CB 3.5Å; D450-K454 WeakPolarHBondContact O-CD 3.4Å; D450-K454 WeakPolarHBondContact O-CG 3.46Å; D450-K454 PolarHBondContact O-N 2.72Å; D450-K454 WeakPolarHBondContact OD1-CE 3.31Å; D450-K454 IonicContact OD1-NZ 2.92Å; D450-K454 PolarHBondContact OD1-NZ 3.03Å; D450-K454 IonicContact OD2-NZ 2.67Å; D450-K454 PolarHBondContact OD2-NZ 2.64Å; L452-K454 PolarHBondContact O-N 3.22Å |
| 455 | I | 59.4 | Low | 47.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 64% | 0.641 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -87.7 | -39.1 | 171.2 | -65.5 | 165.8 | 0 | 0 | 0 | 110.2 | K451 L452 | K451-I455 WeakPolarHBondContact O-CG1 3.06Å; L452-I455 WeakPolarHBondContact O-CA 3.46Å; L452-I455 WeakPolarHBondContact O-CB 3.5Å; L452-I455 PolarHBondContact O-N 3.27Å |
| 456 | F | 44.2 | Very low | 46.8 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 72% | 0.724 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -87.7 | -3.3 | -179.5 | -79 | -79.4 | 0 | 0 | 0 | 115.2 | L452 P458 | L452-F456 WeakPolarHBondContact O-CD2 3.29Å; L452-F456 PolarHBondContact O-N 3Å; F456-P458 WeakPolarHBondContact O-CD 3.37Å |
| 457 | R | 47 | Very low | 46.2 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | trans | -64.6 | 115.1 | 175.1 | -178.6 | 178.5 | -72.2 | -164.3 | -4.1 | 109.3 | L453 | L453-R457 VanDerWaalsContact O-CB 3.29Å; L453-R457 WeakPolarHBondContact O-CB 3.45Å; L453-R457 PolarHBondContact O-N 2.87Å | ||
| 458 | P | 42.7 | Very low | 45.9 | Very low | 110 Ų | 110 | 150 Ų | 150 | 71% | 0.714 | 70% | 0.699 | S | S | * | * | trans | -61.3 | 147 | 177.1 | -20.8 | 33.9 | 0 | 0 | 0 | 110.3 | F456 | F456-P458 WeakPolarHBondContact O-CD 3.37Š| ||
| 459 | M | 42.4 | Very low | 45.3 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | trans | -56.1 | 139.4 | 171.2 | -88.3 | -161.6 | 173.2 | 0 | 0 | 110 | L461 | M459-L461 PolarHBondContact O-N 2.87Š| ||
| 460 | P | 47.4 | Very low | 44.8 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | trans | -64.7 | 111.8 | 175 | 27.1 | -33.1 | 0 | 0 | 0 | 109.1 | R462 | P460-R462 HydrophobicContact CB-CB 4.49Å; P460-R462 PolarHBondContact O-N 2.78Å | ||
| 461 | L | 40 | Very low | 44.4 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | -72 | 54.5 | 171.7 | -73.7 | 169.9 | 0 | 0 | 0 | 111.2 | M459 | M459-L461 PolarHBondContact O-N 2.87Š| ||
| 462 | R | 35.5 | Very low | 43.7 | Very low | 197 Ų | 197 | 156.1 Ų | 156.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -108.1 | 44.1 | -179.2 | -156.3 | -174.5 | -146 | -74.2 | 0.8 | 110.6 | P460 | P460-R462 HydrophobicContact CB-CB 4.49Å; P460-R462 PolarHBondContact O-N 2.78Å | ||
| 463 | S | 33.7 | Very low | 42.9 | Very low | 100 Ų | 100 | 157.6 Ų | 157.6 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -161 | 39 | -167.9 | 49 | 0 | 0 | 0 | 0 | 115.2 | ||
| 464 | Q | 37.1 | Very low | 42.3 | Very low | 175 Ų | 175 | 161.5 Ų | 161.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -146.7 | -26.5 | 161.5 | -126.7 | 178.3 | 43.3 | 0 | 0 | 117.9 | ||
| 465 | W | 33.6 | Very low | 41.5 | Very low | 256 Ų | 256 | 164.2 Ų | 164.2 | 97% | 0.97 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -85.6 | -3.3 | -178.3 | -67.4 | 100 | 0 | 0 | 0 | 115.3 | K467 | W465-K467 PolarHBondContact O-N 3.39Š|
| 466 | E | 37.8 | Very low | 40.5 | Very low | 142 Ų | 142 | 163.2 Ų | 163.2 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -96.9 | 29.3 | -172.8 | -152.1 | 164.6 | -172.5 | 0 | 0 | 113.1 | ||
| 467 | K | 38.5 | Very low | 40.5 | Very low | 188 Ų | 188 | 162.5 Ų | 162.5 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -147 | 61.7 | -177 | -74.2 | -171.7 | 175.2 | 177.8 | 0 | 113.8 | W465 | W465-K467 PolarHBondContact O-N 3.39Š|
| 468 | K | 41.8 | Very low | 40.4 | Very low | 189 Ų | 189 | 161.8 Ų | 161.8 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -144.2 | -29.7 | 158.6 | -146 | 168.5 | -179.6 | -177.8 | 0 | 117.8 | R470 | K468-R470 PolarHBondContact O-N 3.33Š|
| 469 | D | 41.3 | Very low | 40.9 | Very low | 170 Ų | 170 | 167.5 Ų | 167.5 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -98.2 | 81.7 | 178.2 | -61.8 | -70.9 | 0 | 0 | 0 | 111.7 | ||||
| 470 | R | 36 | Very low | 40.8 | Very low | 220 Ų | 220 | 167.3 Ų | 167.3 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -137.8 | 61.6 | 173.3 | -162.7 | -169.7 | -57 | -132.3 | -2.5 | 110.3 | K468 | K468-R470 PolarHBondContact O-N 3.33Š| ||
| 471 | C | 42.8 | Very low | 40.4 | Very low | 118 Ų | 118 | 170.6 Ų | 170.6 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -119.2 | 143.7 | 171.9 | -64.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 472 | D | 46.1 | Very low | 40.5 | Very low | 148 Ų | 148 | 170.3 Ų | 170.3 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -63.4 | 145.4 | -157 | -59.4 | -85.8 | 0 | 0 | 0 | 117.5 | ||||
| 473 | P | 39 | Very low | 40.7 | Very low | 116 Ų | 116 | 168.8 Ų | 168.8 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -99.5 | 51.8 | 173.8 | 40 | -35.8 | 0 | 0 | 0 | 113.1 | ||||
| 474 | Y | 43.5 | Very low | 41.2 | Very low | 201 Ų | 201 | 173.1 Ų | 173.1 | 79% | 0.788 | 83% | 0.829 | S | S | * | * | trans | -142.1 | 150.5 | 178.7 | -87.9 | -78.3 | 0 | 0 | 0 | 113.9 | ||||
| 475 | F | 41 | Very low | 41.5 | Very low | 187 Ų | 187 | 172.9 Ų | 172.9 | 82% | 0.82 | 83% | 0.83 | S | S | * | * | trans | 64.1 | 112.6 | -168.2 | -62.9 | -90.9 | 0 | 0 | 0 | 112.9 | ||||
| 476 | S | 38.8 | Very low | 42 | Very low | 103 Ų | 103 | 167 Ų | 167 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | cis | 60.9 | 92.4 | 17.7 | -164.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 477 | I | 44.7 | Very low | 42.3 | Very low | 150 Ų | 150 | 168.9 Ų | 168.9 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | -174.6 | 148.3 | 123.7 | -92 | 153.9 | 0 | 0 | 0 | 109.4 | |||||
| 478 | K | 45.4 | Very low | 42.7 | Very low | 176 Ų | 176 | 167.3 Ų | 167.3 | 77% | 0.765 | 83% | 0.833 | S | S | * | * | trans | -23.4 | 155.5 | 164.4 | -52.5 | 173.9 | -177.8 | 177.8 | 0 | 116.3 | ||||
| 479 | D | 51.6 | Low | 42.7 | Very low | 230 Ų | 230 | 165.4 Ų | 165.4 | 100% | 1.23 | 83% | 0.834 | S | S | * | * | cis | -124.8 | 0 | 31.7 | -64.7 | -53.3 | 0 | 0 | 0 | 116 |
Retrieved 479 of 479 residues in 622.6 ms
(Link to these results)