| 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 | T | 36.2 | Very low | 33.4 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 100% | 1.172 | 84% | 0.844 | S | S | * | * | 0 | 85.9 | 0 | 37.3 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 2 | N | 31.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 81% | 0.813 | 84% | 0.837 | S | S | * | * | 71.9 | 93.1 | 74.8 | -167.3 | 30.9 | 0 | 0 | 0 | 112.8 | |||||
| 3 | T | 34 | Very low | 32.9 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 85% | 0.847 | 84% | 0.843 | S | S | * | * | -173.8 | 125.9 | 127.7 | 27.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 4 | R | 30.5 | Very low | 32.5 | Very low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 85% | 0.846 | S | S | * | * | trans | -103.9 | -172.9 | 151.2 | -117.9 | -175.5 | 178.1 | -170.5 | 0.6 | 106.2 | ||||
| 5 | P | 52.3 | Low | 32.3 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 68% | 0.682 | 85% | 0.845 | S | S | * | * | cis | -120.7 | -172.6 | -13.4 | 25.8 | -0.4 | 0 | 0 | 0 | 110.5 | ||||
| 6 | T | 32.3 | Very low | 32 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | -169.1 | 149.2 | 58.7 | 38.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 7 | A | 32.3 | Very low | 32 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 70% | 0.702 | 84% | 0.841 | S | S | * | * | cis | 101.1 | 106.4 | 26.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 8 | L | 28.8 | Very low | 32.1 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 85% | 0.853 | 84% | 0.844 | S | S | * | * | trans | 162.4 | 100.9 | 148.7 | -88.3 | 154 | 0 | 0 | 0 | 108 | ||||
| 9 | M | 29.8 | Very low | 31.9 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 83% | 0.828 | 84% | 0.842 | S | S | * | * | 86.6 | 114.8 | 78.9 | -84.2 | -162.4 | 162.9 | 0 | 0 | 115.9 | |||||
| 10 | S | 30 | Very low | 31.8 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | -161.3 | 153.2 | 137.3 | -83.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 11 | S | 29.7 | Very low | 31.5 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | trans | -103.8 | 155 | -146.4 | -58.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 12 | T | 29.9 | Very low | 31.1 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 77% | 0.767 | 83% | 0.833 | S | S | * | * | trans | -54.5 | 155.3 | 165 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 13 | V | 29.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 92% | 0.915 | 84% | 0.837 | S | S | * | * | -160.4 | 165.5 | 107.3 | -93.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 14 | A | 28.4 | Very low | 30.7 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -118.9 | -179.2 | -150.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 15 | A | 29.6 | Very low | 30.7 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -73 | 166.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 16 | A | 27.2 | Very low | 29.6 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 85% | 0.851 | 84% | 0.843 | S | S | * | * | trans | -154.2 | 135.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 17 | A | 32.3 | Very low | 29.4 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | trans | -102.3 | 164.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 18 | P | 33.5 | Very low | 29.2 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | -145.5 | -179.4 | 120 | 35.9 | -19.7 | 0 | 0 | 0 | 114.2 | |||||
| 19 | A | 28.8 | Very low | 30.4 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 85% | 0.851 | S | S | * | * | trans | -127.8 | 176.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 20 | A | 28.7 | Very low | 30.4 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 93% | 0.926 | 85% | 0.852 | S | S | * | * | trans | 82.2 | 147.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 21 | G | 25.4 | Very low | 30.4 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | trans | 142.2 | 109.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 22 | A | 28.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | trans | -103 | 153.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 23 | A | 27.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 88% | 0.884 | 84% | 0.844 | S | S | * | * | trans | -159 | 135.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 24 | S | 30.3 | Very low | 31.3 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 85% | 0.845 | S | S | * | * | trans | -116.4 | 133.9 | 170.8 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 25 | R | 29.5 | Very low | 31.5 | Very low | 237 Ų | 237 | 130.4 Ų | 130.4 | 89% | 0.894 | 84% | 0.842 | S | S | * | * | trans | -140 | 128.5 | 162.6 | -74 | -164.3 | 179.6 | -143.8 | 0.4 | 110.8 | ||||
| 26 | K | 30.2 | Very low | 32.5 | Very low | 196 Ų | 196 | 135 Ų | 135 | 85% | 0.852 | 85% | 0.846 | S | S | * | * | trans | -77.5 | 147.5 | 161.5 | -65.2 | 171.6 | 173.7 | 176.1 | 0 | 108.3 | ||||
| 27 | E | 27.2 | Very low | 33.2 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 85% | 0.845 | S | S | * | * | trans | -163.3 | 151.6 | 138.9 | -113.2 | 166.1 | 130.3 | 0 | 0 | 113.2 | ||||
| 28 | S | 28 | Very low | 34.4 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -175 | 160.8 | 177.3 | -73.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 29 | P | 54.3 | Low | 35.1 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | cis | -122.5 | 176.8 | -9 | 38.8 | -23.8 | 0 | 0 | 0 | 112.9 | ||||
| 30 | G | 29.1 | Very low | 35.5 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | -152.2 | 131.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 31 | R | 30.5 | Very low | 36.3 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | trans | -150.9 | 145.4 | -175.6 | -134.2 | -170.6 | 176.6 | -177.6 | 0 | 108 | ||||
| 32 | W | 34.8 | Very low | 37.4 | Very low | 208 Ų | 208 | 138.5 Ų | 138.5 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | cis | -129.2 | 178.1 | 0.7 | -64.6 | 86.1 | 0 | 0 | 0 | 109.9 | ||||
| 33 | G | 29.7 | Very low | 38.9 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -161.2 | 120.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 34 | L | 44 | Very low | 40.8 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | trans | -90.4 | 140.4 | 171.1 | -76.6 | 163 | 0 | 0 | 0 | 109.2 | ||||
| 35 | G | 33.1 | Very low | 43.5 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | 177.5 | 104 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 36 | E | 49.9 | Very low | 46.7 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -96.9 | 120.6 | 173.5 | -69.1 | 172.8 | 94.7 | 0 | 0 | 109.4 | ||||
| 37 | D | 41.5 | Very low | 49.8 | Very low | 157 Ų | 157 | 122.6 Ų | 122.6 | 84% | 0.84 | 73% | 0.732 | S | S | * | * | trans | -166.2 | 168.4 | 141.9 | -120.8 | -6.7 | 0 | 0 | 0 | 109.3 | ||||
| 38 | P | 58.5 | Low | 53.1 | Low | 98 Ų | 98 | 121.9 Ų | 121.9 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | trans | -107.9 | -175.8 | -143.5 | 9.8 | 16 | 0 | 0 | 0 | 112.5 | ||||
| 39 | T | 47.8 | Very low | 56.4 | Low | 145 Ų | 145 | 116.5 Ų | 116.5 | 89% | 0.89 | 68% | 0.684 | S | S | * | * | trans | 69 | 37.1 | 172.6 | 66.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 40 | G | 35.7 | Very low | 58.4 | Low | 67 Ų | 67 | 110.3 Ų | 110.3 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | trans | -106.5 | 95.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S42 | G40-S42 PolarHBondContact O-N 2.67Š| ||
| 41 | V | 45.8 | Very low | 61.5 | Low | 134 Ų | 134 | 108.1 Ų | 108.1 | 81% | 0.812 | 62% | 0.622 | S | S | * | * | trans | -73 | 81.9 | 174.1 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 42 | S | 49.9 | Very low | 64.6 | Low | 97 Ų | 97 | 99.9 Ų | 99.9 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | trans | -46.3 | 131 | 153.9 | -63 | 0 | 0 | 0 | 0 | 107.6 | G40 S44 | G40-S42 PolarHBondContact O-N 2.67Å; S42-S44 PolarHBondContact O-N 3.46Å | ||
| 43 | P | 58.4 | Low | 67.6 | Low | 118 Ų | 118 | 94 Ų | 94 | 77% | 0.766 | 58% | 0.583 | S | S | * | * | trans | -59.4 | 104.1 | -178.2 | 23.2 | -32.7 | 0 | 0 | 0 | 108.6 | L45 | P43-L45 PolarHBondContact O-N 3.31Š| ||
| 44 | S | 68.7 | Low | 70.7 | Confident | 91 Ų | 91 | 91.1 Ų | 91.1 | 64% | 0.636 | 55% | 0.55 | S | S | * | * | trans | -65.8 | 106.4 | -172.1 | 51.2 | 0 | 0 | 0 | 0 | 107.4 | S42 Q46 | S42-S44 PolarHBondContact O-N 3.46Å; S44-Q46 PolarHBondContact O-N 3.44Å | ||
| 45 | L | 87.1 | Confident | 73 | Confident | 92 Ų | 92 | 85.3 Ų | 85.3 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | trans | -53.4 | 115.3 | -176.4 | -74.6 | 167 | 0 | 0 | 0 | 107.6 | P43 S54 Y62 | P43-L45 PolarHBondContact O-N 3.31Å; L45-S54 VanDerWaalsContact C-CB 3.49Å; L45-S54 WeakPolarHBondContact O-CA 3.33Å; L45-S54 WeakPolarHBondContact O-CB 3.47Å; L45-S54 PolarHBondContact O-N 2.98Å; L45-Y62 HydrophobicContact CD1-CD1 4.39Å; L45-Y62 HydrophobicContact CD1-CE1 4Å; L45-Y62 HydrophobicContact CD2-CD1 4.29Å; L45-Y62 HydrophobicContact CD2-CD2 4.32Å; L45-Y62 HydrophobicContact CD2-CE1 4.07Å; L45-Y62 HydrophobicContact CD2-CE2 4.08Å; L45-Y62 HydrophobicContact CD2-CG 4.42Å | ||
| 46 | Q | 95.4 | Very high | 75.8 | Confident | 125 Ų | 125 | 82.6 Ų | 82.6 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | B | Isolated β-bridge | trans | -98.2 | 142.7 | -169.8 | -154.8 | 179.4 | 25.4 | 0 | 0 | 110.3 | S44 R48 G51 | S44-Q46 PolarHBondContact O-N 3.44Å; Q46-R48 PolarHBondContact O-N 3.37Å; Q46-R48 VanDerWaalsContact O-N 3.17Å; Q46-G51 WeakPolarHBondContact CG-O 3.35Å; Q46-G51 PolarHBondContact NE2-O 3.27Å |
| 47 | C | 97.2 | Very high | 77.9 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.014 | 48% | 0.483 | C | S | . | . | trans | -68.1 | 112.1 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 110 | V49 C50 G51 D52 C64 | C47-V49 PolarHBondContact O-N 3.03Å; C47-C50 PolarHBondContact O-N 2.87Å; C47-C50 VanDerWaalsContact O-N 3.16Å; C47-G51 PolarHBondContact O-N 3.22Å; C47-D52 WeakPolarHBondContact CB-O 3.44Å; C47-D52 PolarHBondContact N-O 3.13Å; C47-C64 HydrophobicContact CB-CB 3.99Å; C47-C64 PolarHBondContact SG-N 3.41Å; C47-C64 VanDerWaalsContact SG-N 3.36Å; C47-C64 VanDerWaalsContact SG-SG 3.67Å | ||
| 48 | R | 96.1 | Very high | 80.4 | Confident | 167 Ų | 167 | 74.7 Ų | 74.7 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.3 | -179.2 | -69.1 | -170.9 | 173 | -171.4 | -4.1 | 114.7 | Q46 I61 Y62 A111 | Q46-R48 PolarHBondContact O-N 3.37Å; Q46-R48 VanDerWaalsContact O-N 3.17Å; R48-I61 HydrophobicContact CB-CD1 4.42Å; R48-Y62 PolarHBondContact N-O 3.04Å; R48-Y62 VanDerWaalsContact N-O 3.07Å; R48-A111 HydrophobicContact CB-CB 4.22Å |
| 49 | V | 97.3 | Very high | 82.2 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.006 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -42.7 | 178.2 | -176 | 0 | 0 | 0 | 0 | 112.6 | C47 I61 C67 V92 K107 C108 A111 M113 | C47-V49 PolarHBondContact O-N 3.03Å; V49-I61 HydrophobicContact CG2-CD1 4.22Å; V49-C67 HydrophobicContact CB-CB 4.29Å; V49-C67 HydrophobicContact CG1-CB 4.45Å; V49-C67 HydrophobicContact CG2-CB 4.47Å; V49-V92 HydrophobicContact CG1-CG1 4.12Å; V49-K107 HydrophobicContact CG1-CB 4.33Å; V49-K107 HydrophobicContact CG1-CG 4.31Å; V49-K107 WeakPolarHBondContact O-CD 3.47Å; V49-K107 WeakPolarHBondContact O-CE 3.34Å; V49-K107 PolarHBondContact O-NZ 2.88Å; V49-C108 HydrophobicContact CG2-CB 4.48Å; V49-A111 HydrophobicContact CG2-CB 4.08Å; V49-M113 HydrophobicContact CG2-CE 4.08Å |
| 50 | C | 96.1 | Very high | 84.3 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.027 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | 6.4 | -166.9 | 67.7 | 0 | 0 | 0 | 0 | 115.8 | C47 D52 V92 D93 K94 R97 | C47-C50 PolarHBondContact O-N 2.87Å; C47-C50 VanDerWaalsContact O-N 3.16Å; C50-D52 PolarHBondContact O-N 2.7Å; C50-D52 VanDerWaalsContact O-N 3.08Å; C50-V92 HydrophobicContact CB-CG1 4.23Å; C50-D93 CarbonylContact O-C 3.54Å; C50-D93 WeakPolarHBondContact O-CA 3.39Å; C50-K94 PolarHBondContact O-N 2.77Å; C50-R97 HydrophobicContact CB-CB 4.15Å; C50-R97 PolarHBondContact SG-NH1 3.15Å |
| 51 | G | 94.8 | Very high | 87.1 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 73.4 | -4.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q46 C47 | Q46-G51 WeakPolarHBondContact CG-O 3.35Å; Q46-G51 PolarHBondContact NE2-O 3.27Å; C47-G51 PolarHBondContact O-N 3.22Å |
| 52 | D | 95.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -72.9 | 165.2 | 175.7 | -161.7 | 11.3 | 0 | 0 | 0 | 112 | C47 C50 S54 C64 K94 R97 | C47-D52 WeakPolarHBondContact CB-O 3.44Å; C47-D52 PolarHBondContact N-O 3.13Å; C50-D52 PolarHBondContact O-N 2.7Å; C50-D52 VanDerWaalsContact O-N 3.08Å; D52-S54 PolarHBondContact O-N 3.47Å; D52-C64 HydrophobicContact CB-CB 4.24Å; D52-K94 HydrophobicContact CB-CB 4.25Å; D52-K94 HydrophobicContact CB-CD 4.2Å; D52-K94 HydrophobicContact CB-CG 4.07Å; D52-K94 VanDerWaalsContact OD1-CD 3.31Å; D52-K94 WeakPolarHBondContact OD1-CD 3.23Å; D52-K94 WeakPolarHBondContact OD1-CE 3.43Å; D52-K94 IonicContact OD1-NZ 2.71Å; D52-K94 PolarHBondContact OD1-NZ 3Å; D52-R97 VanDerWaalsContact CB-NH1 3.35Å; D52-R97 IonicContact OD2-CZ 3.71Å; D52-R97 VanDerWaalsContact OD2-CZ 3.25Å; D52-R97 IonicContact OD2-NH1 3.4Å; D52-R97 PolarHBondContact OD2-NH1 3.23Å; D52-R97 IonicContact OD2-NH2 3.6Å; D52-R97 PolarHBondContact OD2-NH2 3.02Å |
| 53 | S | 96.1 | Very high | 91.8 | Very high | 84 Ų | 84 | 58.4 Ų | 58.4 | 59% | 0.587 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -59.4 | 128.3 | 179.2 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | C64 | S53-C64 WeakPolarHBondContact O-CA 3.5Å; S53-C64 WeakPolarHBondContact O-CB 3.47Å |
| 54 | S | 95.6 | Very high | 93.7 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 11% | 0.112 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 134.4 | 178.5 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | L45 D52 G56 A63 | L45-S54 VanDerWaalsContact C-CB 3.49Å; L45-S54 WeakPolarHBondContact O-CA 3.33Å; L45-S54 WeakPolarHBondContact O-CB 3.47Å; L45-S54 PolarHBondContact O-N 2.98Å; D52-S54 PolarHBondContact O-N 3.47Å; S54-G56 VanDerWaalsContact C-N 3.26Å; S54-G56 PolarHBondContact OG-N 3.01Å; S54-G56 PolarHBondContact OG-O 2.79Å; S54-G56 VanDerWaalsContact OG-O 3.05Å; S54-A63 PolarHBondContact OG-N 3.1Å; S54-A63 PolarHBondContact OG-O 3.03Å |
| 55 | S | 92.8 | Very high | 95 | Very high | 59 Ų | 59 | 54 Ų | 54 | 41% | 0.413 | 30% | 0.295 | S | S | . | . | trans | -88.7 | 8.1 | 172.1 | 49.5 | 0 | 0 | 0 | 0 | 113 | H58 A63 N65 | S55-H58 PolarHBondContact OG-NE2 3.4Å; S55-A63 PolarHBondContact N-O 3.23Å; S55-A63 PolarHBondContact OG-O 3.44Å; S55-N65 VanDerWaalsContact CB-OD1 3.29Å; S55-N65 WeakPolarHBondContact CB-OD1 3.47Å; S55-N65 PolarHBondContact OG-N 3.36Å; S55-N65 PolarHBondContact OG-OD1 3.41Å | ||
| 56 | G | 91.7 | Very high | 95.4 | Very high | 21 Ų | 21 | 51 Ų | 51 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 123.1 | -161.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S54 Y62 A63 | S54-G56 VanDerWaalsContact C-N 3.26Å; S54-G56 PolarHBondContact OG-N 3.01Å; S54-G56 PolarHBondContact OG-O 2.79Å; S54-G56 VanDerWaalsContact OG-O 3.05Å; G56-Y62 WeakPolarHBondContact O-CA 3.4Å; G56-A63 PolarHBondContact O-N 3.48Å; G56-A63 VanDerWaalsContact O-N 3.12Å |
| 57 | K | 93.9 | Very high | 95.5 | Very high | 145 Ų | 145 | 45 Ų | 45 | 63% | 0.63 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.7 | 176.3 | -69.1 | -173.6 | -179.5 | -179.1 | 0 | 110.6 | I61 Y62 | K57-I61 CarbonylContact C-O 3.46Å; K57-I61 VanDerWaalsContact CA-O 3.31Å; K57-I61 WeakPolarHBondContact CA-O 3.46Å; K57-Y62 HydrophobicContact CG-CD1 3.91Å; K57-Y62 HydrophobicContact CG-CE1 3.64Å |
| 58 | H | 94.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.2 | 171.2 | -62.9 | -95.1 | 0 | 0 | 0 | 108.4 | S55 G60 I61 A63 S68 | S55-H58 PolarHBondContact OG-NE2 3.4Å; H58-G60 PolarHBondContact O-N 3.02Å; H58-G60 VanDerWaalsContact O-N 3.15Å; H58-I61 PolarHBondContact N-O 3.03Å; H58-I61 PolarHBondContact O-N 2.8Å; H58-I61 VanDerWaalsContact O-N 3.14Å; H58-I61 VanDerWaalsContact O-O 3.12Å; H58-A63 HydrophobicContact CB-CB 4.32Å; H58-A63 PolarHBondContact CD2-O 3.42Å; H58-S68 WeakPolarHBondContact CB-OG 3.42Å; H58-S68 VanDerWaalsContact CG-CB 3.49Å; H58-S68 VanDerWaalsContact CG-OG 3.27Å; H58-S68 PolarHBondContact ND1-OG 3.22Å |
| 59 | Y | 95.4 | Very high | 95.5 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 37.7 | 178.3 | -50.3 | -65.6 | 0 | 0 | 0 | 113.2 | S68 F71 K72 M113 N114 A117 V118 | Y59-S68 WeakPolarHBondContact CE2-OG 3.24Å; Y59-F71 HydrophobicContact CD1-CD1 4.42Å; Y59-F71 HydrophobicContact CD1-CE1 4.45Å; Y59-F71 AromaticContact CD2-CD1 3.63Å; Y59-F71 HydrophobicContact CD2-CD1 3.63Å; Y59-F71 HydrophobicContact CD2-CE1 4.32Å; Y59-F71 HydrophobicContact CE2-CD1 4.2Å; Y59-F71 AromaticContact CG-CD1 3.77Å; Y59-F71 HydrophobicContact CG-CD1 3.77Å; Y59-F71 AromaticContact CG-CE1 3.98Å; Y59-F71 HydrophobicContact CG-CE1 3.98Å; Y59-K72 HydrophobicContact CE2-CB 4.29Å; Y59-K72 WeakPolarHBondContact OH-CB 3.36Å; Y59-K72 WeakPolarHBondContact OH-CD 3.04Å; Y59-K72 WeakPolarHBondContact OH-CG 3.39Å; Y59-M113 CarbonylContact O-C 3.18Å; Y59-M113 WeakPolarHBondContact O-CA 3.41Å; Y59-N114 PolarHBondContact O-N 2.97Å; Y59-A117 HydrophobicContact CD1-CB 4.01Å; Y59-V118 HydrophobicContact CD1-CG2 3.74Å; Y59-V118 HydrophobicContact CE1-CB 4.41Å; Y59-V118 HydrophobicContact CE1-CG2 3.61Å; Y59-V118 HydrophobicContact CG-CG2 4.5Å |
| 60 | G | 92.3 | Very high | 95.5 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 63% | 0.629 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98 | -22.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | H58 | H58-G60 PolarHBondContact O-N 3.02Å; H58-G60 VanDerWaalsContact O-N 3.15Å |
| 61 | I | 95.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 160.9 | -170.3 | 70.6 | 167.4 | 0 | 0 | 0 | 113.8 | R48 V49 K57 H58 A63 A111 G112 M113 | R48-I61 HydrophobicContact CB-CD1 4.42Å; V49-I61 HydrophobicContact CG2-CD1 4.22Å; K57-I61 CarbonylContact C-O 3.46Å; K57-I61 VanDerWaalsContact CA-O 3.31Å; K57-I61 WeakPolarHBondContact CA-O 3.46Å; H58-I61 PolarHBondContact N-O 3.03Å; H58-I61 PolarHBondContact O-N 2.8Å; H58-I61 VanDerWaalsContact O-N 3.14Å; H58-I61 VanDerWaalsContact O-O 3.12Å; I61-A63 PolarHBondContact O-N 3.48Å; I61-A111 HydrophobicContact CD1-CB 3.62Å; I61-A111 WeakPolarHBondContact CG2-O 3.42Å; I61-G112 VanDerWaalsContact CG2-O 3.31Å; I61-G112 WeakPolarHBondContact CG2-O 3.46Å; I61-M113 HydrophobicContact CD1-CE 4.03Å; I61-M113 HydrophobicContact CD1-CG 3.49Å; I61-M113 VanDerWaalsContact CD1-CG 3.49Å; I61-M113 HydrophobicContact CG1-CE 4.1Å; I61-M113 HydrophobicContact CG1-CG 3.68Å |
| 62 | Y | 96.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 30% | 0.302 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 116.8 | 172.3 | -69.7 | -62.8 | 0 | 0 | 0 | 111.1 | L45 R48 G56 K57 | L45-Y62 HydrophobicContact CD1-CD1 4.39Å; L45-Y62 HydrophobicContact CD1-CE1 4Å; L45-Y62 HydrophobicContact CD2-CD1 4.29Å; L45-Y62 HydrophobicContact CD2-CD2 4.32Å; L45-Y62 HydrophobicContact CD2-CE1 4.07Å; L45-Y62 HydrophobicContact CD2-CE2 4.08Å; L45-Y62 HydrophobicContact CD2-CG 4.42Å; R48-Y62 PolarHBondContact N-O 3.04Å; R48-Y62 VanDerWaalsContact N-O 3.07Å; G56-Y62 WeakPolarHBondContact O-CA 3.4Å; K57-Y62 HydrophobicContact CG-CD1 3.91Å; K57-Y62 HydrophobicContact CG-CE1 3.64Å |
| 63 | A | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -144 | 152.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S54 S55 G56 H58 I61 M113 | S54-A63 PolarHBondContact OG-N 3.1Å; S54-A63 PolarHBondContact OG-O 3.03Å; S55-A63 PolarHBondContact N-O 3.23Å; S55-A63 PolarHBondContact OG-O 3.44Å; G56-A63 PolarHBondContact O-N 3.48Å; G56-A63 VanDerWaalsContact O-N 3.12Å; H58-A63 HydrophobicContact CB-CB 4.32Å; H58-A63 PolarHBondContact CD2-O 3.42Å; I61-A63 PolarHBondContact O-N 3.48Å; A63-M113 HydrophobicContact CB-CE 3.33Å | ||
| 64 | C | 97.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | trans | -75.2 | 157.8 | 169.4 | 67 | 0 | 0 | 0 | 0 | 111 | C47 D52 S53 G66 C67 S68 R97 | C47-C64 HydrophobicContact CB-CB 3.99Å; C47-C64 PolarHBondContact SG-N 3.41Å; C47-C64 VanDerWaalsContact SG-N 3.36Å; C47-C64 VanDerWaalsContact SG-SG 3.67Å; D52-C64 HydrophobicContact CB-CB 4.24Å; S53-C64 WeakPolarHBondContact O-CA 3.5Å; S53-C64 WeakPolarHBondContact O-CB 3.47Å; C64-G66 PolarHBondContact O-N 3.17Å; C64-G66 VanDerWaalsContact O-N 3.11Å; C64-C67 PolarHBondContact O-N 2.95Å; C64-C67 VanDerWaalsContact O-N 3.16Å; C64-C67 PolarHBondContact SG-N 3.2Å; C64-C67 VanDerWaalsContact SG-N 3.38Å; C64-S68 PolarHBondContact O-N 3.15Å; C64-R97 PolarHBondContact SG-NH1 3.47Å | ||
| 65 | N | 96.4 | Very high | 94.9 | Very high | 114 Ų | 114 | 42.7 Ų | 42.7 | 61% | 0.61 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -52 | -34.9 | 174.5 | -69.1 | -27.1 | 0 | 0 | 0 | 112.8 | S55 G69 | S55-N65 VanDerWaalsContact CB-OD1 3.29Å; S55-N65 WeakPolarHBondContact CB-OD1 3.47Å; S55-N65 PolarHBondContact OG-N 3.36Å; S55-N65 PolarHBondContact OG-OD1 3.41Å; N65-G69 PolarHBondContact O-N 2.92Å |
| 66 | G | 96.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C64 F70 R104 | C64-G66 PolarHBondContact O-N 3.17Å; C64-G66 VanDerWaalsContact O-N 3.11Å; G66-F70 VanDerWaalsContact O-CB 3.25Å; G66-F70 WeakPolarHBondContact O-CB 3.47Å; G66-F70 PolarHBondContact O-N 3.24Å; G66-F70 VanDerWaalsContact O-N 3.07Å; G66-R104 PolarHBondContact O-NH2 2.89Å |
| 67 | C | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -77.2 | -36.1 | 178.5 | -69 | 0 | 0 | 0 | 0 | 112.4 | V49 C64 F70 F71 R104 M113 | V49-C67 HydrophobicContact CB-CB 4.29Å; V49-C67 HydrophobicContact CG1-CB 4.45Å; V49-C67 HydrophobicContact CG2-CB 4.47Å; C64-C67 PolarHBondContact O-N 2.95Å; C64-C67 VanDerWaalsContact O-N 3.16Å; C64-C67 PolarHBondContact SG-N 3.2Å; C64-C67 VanDerWaalsContact SG-N 3.38Å; C67-F70 PolarHBondContact O-N 3.29Å; C67-F71 WeakPolarHBondContact O-CB 3.29Å; C67-F71 PolarHBondContact O-N 3.2Å; C67-R104 PolarHBondContact SG-NH2 3.44Å; C67-M113 HydrophobicContact CB-CE 4.29Å |
| 68 | S | 96.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 55 Ų | 55 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -52.4 | 171.3 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | H58 Y59 C64 F70 F71 K72 | H58-S68 WeakPolarHBondContact CB-OG 3.42Å; H58-S68 VanDerWaalsContact CG-CB 3.49Å; H58-S68 VanDerWaalsContact CG-OG 3.27Å; H58-S68 PolarHBondContact ND1-OG 3.22Å; Y59-S68 WeakPolarHBondContact CE2-OG 3.24Å; C64-S68 PolarHBondContact O-N 3.15Å; S68-F70 VanDerWaalsContact C-N 3.35Å; S68-F70 PolarHBondContact O-N 2.71Å; S68-F71 PolarHBondContact O-N 3.14Å; S68-K72 WeakPolarHBondContact O-CB 3.45Å; S68-K72 PolarHBondContact O-N 3.03Å |
| 69 | G | 95.4 | Very high | 92.7 | Very high | 15 Ų | 15 | 56 Ų | 56 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N65 R73 | N65-G69 PolarHBondContact O-N 2.92Å; G69-R73 WeakPolarHBondContact O-CG 3.36Å; G69-R73 VanDerWaalsContact O-CZ 3.31Å; G69-R73 PolarHBondContact O-N 3.43Å; G69-R73 PolarHBondContact O-NH1 3.02Å |
| 70 | F | 97.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -51.5 | 173.2 | 170.8 | -96.2 | 0 | 0 | 0 | 111.8 | G66 C67 S68 K72 R73 S74 Y81 Q101 R104 L105 | G66-F70 VanDerWaalsContact O-CB 3.25Å; G66-F70 WeakPolarHBondContact O-CB 3.47Å; G66-F70 PolarHBondContact O-N 3.24Å; G66-F70 VanDerWaalsContact O-N 3.07Å; C67-F70 PolarHBondContact O-N 3.29Å; S68-F70 VanDerWaalsContact C-N 3.35Å; S68-F70 PolarHBondContact O-N 2.71Å; F70-K72 PolarHBondContact O-N 2.99Å; F70-R73 PolarHBondContact O-N 3.07Å; F70-S74 PolarHBondContact O-N 3.09Å; F70-S74 PolarHBondContact O-OG 3.41Å; F70-Y81 AromaticContact CE2-CE2 3.8Å; F70-Y81 HydrophobicContact CE2-CE2 3.8Å; F70-Y81 AromaticContact CE2-CZ 3.89Å; F70-Y81 HydrophobicContact CZ-CD2 4.16Å; F70-Y81 AromaticContact CZ-CE2 3.51Å; F70-Y81 HydrophobicContact CZ-CE2 3.51Å; F70-Q101 HydrophobicContact CE2-CB 4.18Å; F70-Q101 HydrophobicContact CE2-CG 4.25Å; F70-Q101 HydrophobicContact CZ-CB 4.28Å; F70-Q101 WeakPolarHBondContact CZ-O 3.21Å; F70-R104 HydrophobicContact CD1-CG 4.07Å; F70-R104 HydrophobicContact CE1-CB 4.07Å; F70-R104 HydrophobicContact CE1-CG 3.9Å; F70-R104 HydrophobicContact CZ-CB 4.22Å; F70-R104 HydrophobicContact CZ-CG 4.4Å; F70-L105 HydrophobicContact CE1-CB 3.84Å; F70-L105 HydrophobicContact CE1-CD1 4.07Å; F70-L105 HydrophobicContact CZ-CB 4.05Å |
| 71 | F | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 179.5 | -174.4 | -102.5 | 0 | 0 | 0 | 111.2 | Y59 C67 S68 R73 S74 V75 L105 C108 L109 M113 N114 Q115 V118 | Y59-F71 HydrophobicContact CD1-CD1 4.42Å; Y59-F71 HydrophobicContact CD1-CE1 4.45Å; Y59-F71 AromaticContact CD2-CD1 3.63Å; Y59-F71 HydrophobicContact CD2-CD1 3.63Å; Y59-F71 HydrophobicContact CD2-CE1 4.32Å; Y59-F71 HydrophobicContact CE2-CD1 4.2Å; Y59-F71 AromaticContact CG-CD1 3.77Å; Y59-F71 HydrophobicContact CG-CD1 3.77Å; Y59-F71 AromaticContact CG-CE1 3.98Å; Y59-F71 HydrophobicContact CG-CE1 3.98Å; C67-F71 WeakPolarHBondContact O-CB 3.29Å; C67-F71 PolarHBondContact O-N 3.2Å; S68-F71 PolarHBondContact O-N 3.14Å; F71-R73 VanDerWaalsContact C-N 3.34Å; F71-R73 PolarHBondContact O-N 3.08Å; F71-S74 PolarHBondContact O-N 3.16Å; F71-S74 VanDerWaalsContact O-N 3.14Å; F71-V75 HydrophobicContact CD1-CG2 4.22Å; F71-V75 HydrophobicContact CD2-CG2 4.31Å; F71-V75 HydrophobicContact CE1-CG2 3.88Å; F71-V75 HydrophobicContact CE2-CG2 3.98Å; F71-V75 HydrophobicContact CG-CG2 4.42Å; F71-V75 HydrophobicContact CZ-CG2 3.76Å; F71-V75 WeakPolarHBondContact O-CG2 3.4Å; F71-V75 PolarHBondContact O-N 3.03Å; F71-L105 HydrophobicContact CD2-CD1 3.95Å; F71-L105 HydrophobicContact CE2-CD1 4.36Å; F71-C108 HydrophobicContact CD2-CB 3.65Å; F71-C108 HydrophobicContact CE2-CB 4.2Å; F71-L109 HydrophobicContact CE2-CD2 3.78Å; F71-L109 HydrophobicContact CE2-CG 4.3Å; F71-L109 HydrophobicContact CZ-CD2 4.19Å; F71-M113 HydrophobicContact CB-SD 3.57Å; F71-M113 VanDerWaalsContact CB-SD 3.57Å; F71-M113 HydrophobicContact CD1-CB 4.08Å; F71-M113 HydrophobicContact CD1-SD 4Å; F71-M113 HydrophobicContact CD2-CB 3.89Å; F71-M113 HydrophobicContact CD2-CG 4.45Å; F71-M113 HydrophobicContact CD2-SD 3.78Å; F71-M113 HydrophobicContact CE1-CB 3.79Å; F71-M113 HydrophobicContact CE2-CB 3.59Å; F71-M113 HydrophobicContact CE2-SD 4.47Å; F71-M113 HydrophobicContact CG-CB 4.13Å; F71-M113 HydrophobicContact CG-CG 4.45Å; F71-M113 HydrophobicContact CG-SD 3.5Å; F71-M113 VanDerWaalsContact CG-SD 3.5Å; F71-M113 HydrophobicContact CZ-CB 3.53Å; F71-M113 VanDerWaalsContact CZ-O 3.29Å; F71-M113 WeakPolarHBondContact CZ-O 3.14Å; F71-N114 WeakPolarHBondContact CE1-O 3.37Å; F71-Q115 HydrophobicContact CZ-CB 4.09Å; F71-V118 HydrophobicContact CD1-CG2 4.1Å; F71-V118 HydrophobicContact CE1-CG2 3.85Å |
| 72 | K | 93.8 | Very high | 91.4 | Very high | 77 Ų | 77 | 65.4 Ų | 65.4 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -52.7 | -46.7 | 175.8 | -169.5 | -179.2 | 72.8 | 177.2 | 0 | 113.1 | Y59 S68 F70 R76 V118 | Y59-K72 HydrophobicContact CE2-CB 4.29Å; Y59-K72 WeakPolarHBondContact OH-CB 3.36Å; Y59-K72 WeakPolarHBondContact OH-CD 3.04Å; Y59-K72 WeakPolarHBondContact OH-CG 3.39Å; S68-K72 WeakPolarHBondContact O-CB 3.45Å; S68-K72 PolarHBondContact O-N 3.03Å; F70-K72 PolarHBondContact O-N 2.99Å; K72-R76 WeakPolarHBondContact O-CB 3.38Å; K72-R76 VanDerWaalsContact O-CG 3.31Å; K72-R76 WeakPolarHBondContact O-CG 3.45Å; K72-R76 PolarHBondContact O-N 3.28Å; K72-R76 VanDerWaalsContact O-N 3.07Å; K72-V118 HydrophobicContact CG-CG1 4.1Å |
| 73 | R | 91.3 | Very high | 91 | Very high | 130 Ų | 130 | 63 Ų | 63 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 179.8 | -73.5 | -174.1 | -57.8 | -94 | 1.5 | 112 | G69 F70 F71 R77 | G69-R73 WeakPolarHBondContact O-CG 3.36Å; G69-R73 VanDerWaalsContact O-CZ 3.31Å; G69-R73 PolarHBondContact O-N 3.43Å; G69-R73 PolarHBondContact O-NH1 3.02Å; F70-R73 PolarHBondContact O-N 3.07Å; F71-R73 VanDerWaalsContact C-N 3.34Å; F71-R73 PolarHBondContact O-N 3.08Å; R73-R77 WeakPolarHBondContact O-CB 3.33Å; R73-R77 PolarHBondContact O-N 2.92Å; R73-R77 VanDerWaalsContact O-N 3.16Å |
| 74 | S | 93.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -49.6 | -178.8 | -49.9 | 0 | 0 | 0 | 0 | 110.9 | F70 F71 R78 L79 Y81 | F70-S74 PolarHBondContact O-N 3.09Å; F70-S74 PolarHBondContact O-OG 3.41Å; F71-S74 PolarHBondContact O-N 3.16Å; F71-S74 VanDerWaalsContact O-N 3.14Å; S74-R78 WeakPolarHBondContact O-CA 3.26Å; S74-R78 PolarHBondContact O-N 3.48Å; S74-R78 VanDerWaalsContact O-N 3.09Å; S74-L79 PolarHBondContact O-N 2.98Å; S74-Y81 WeakPolarHBondContact OG-CE2 3.41Å; S74-Y81 PolarHBondContact OG-OH 3.15Å |
| 75 | V | 91.2 | Very high | 89.2 | Confident | 39 Ų | 39 | 77.4 Ų | 77.4 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -51.2 | 178.5 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | F71 R77 R78 Q115 V118 | F71-V75 HydrophobicContact CD1-CG2 4.22Å; F71-V75 HydrophobicContact CD2-CG2 4.31Å; F71-V75 HydrophobicContact CE1-CG2 3.88Å; F71-V75 HydrophobicContact CE2-CG2 3.98Å; F71-V75 HydrophobicContact CG-CG2 4.42Å; F71-V75 HydrophobicContact CZ-CG2 3.76Å; F71-V75 WeakPolarHBondContact O-CG2 3.4Å; F71-V75 PolarHBondContact O-N 3.03Å; V75-R77 VanDerWaalsContact C-N 3.32Å; V75-R77 PolarHBondContact O-N 3.33Å; V75-R78 PolarHBondContact O-N 3.36Å; V75-R78 VanDerWaalsContact O-N 3.09Å; V75-Q115 HydrophobicContact CG1-CB 4.12Å; V75-Q115 HydrophobicContact CG2-CB 4.13Å; V75-V118 HydrophobicContact CB-CB 4.3Å; V75-V118 HydrophobicContact CB-CG1 4.24Å; V75-V118 HydrophobicContact CB-CG2 4.06Å; V75-V118 HydrophobicContact CG1-CB 3.84Å; V75-V118 HydrophobicContact CG1-CG1 4.11Å; V75-V118 HydrophobicContact CG1-CG2 3.96Å; V75-V118 HydrophobicContact CG2-CG2 4.32Å |
| 76 | R | 84.1 | Confident | 87.9 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 28% | 0.283 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | -177.5 | -77.6 | -172.4 | 176.2 | 173.4 | -5.3 | 114 | K72 V118 Q119 E121 | K72-R76 WeakPolarHBondContact O-CB 3.38Å; K72-R76 VanDerWaalsContact O-CG 3.31Å; K72-R76 WeakPolarHBondContact O-CG 3.45Å; K72-R76 PolarHBondContact O-N 3.28Å; K72-R76 VanDerWaalsContact O-N 3.07Å; R76-V118 HydrophobicContact CG-CG1 3.53Å; R76-Q119 VanDerWaalsContact CZ-O 3.25Å; R76-Q119 PolarHBondContact NE-O 3.27Å; R76-Q119 PolarHBondContact NH2-O 2.9Å; R76-E121 VanDerWaalsContact CD-OE1 3.26Å; R76-E121 WeakPolarHBondContact CD-OE1 3.12Å; R76-E121 IonicContact CZ-OE1 3.54Å; R76-E121 IonicContact NE-OE1 2.77Å; R76-E121 IonicContact NH1-OE1 3.55Å; R76-E121 PolarHBondContact NH1-OE1 3.02Å; R76-E121 IonicContact NH1-OE2 2.68Å; R76-E121 PolarHBondContact NH1-OE2 3.49Å |
| 77 | R | 81 | Confident | 86.9 | Confident | 184 Ų | 184 | 75.4 Ų | 75.4 | 69% | 0.694 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 5.6 | -178.8 | -66 | 179.3 | 179.5 | -169.9 | -2.7 | 112.8 | R73 V75 L79 | R73-R77 WeakPolarHBondContact O-CB 3.33Å; R73-R77 PolarHBondContact O-N 2.92Å; R73-R77 VanDerWaalsContact O-N 3.16Å; V75-R77 VanDerWaalsContact C-N 3.32Å; V75-R77 PolarHBondContact O-N 3.33Å; R77-L79 HydrophobicContact CB-CD1 4.18Å; R77-L79 HydrophobicContact CB-CD2 3.8Å; R77-L79 HydrophobicContact CB-CG 3.69Å; R77-L79 PolarHBondContact O-N 3.36Å |
| 78 | R | 82.8 | Confident | 86 | Confident | 225 Ų | 225 | 76 Ų | 76 | 85% | 0.849 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 46.9 | -176.3 | -56.7 | -175.5 | -177.8 | -162.9 | -0.2 | 112.1 | S74 V75 I80 | S74-R78 WeakPolarHBondContact O-CA 3.26Å; S74-R78 PolarHBondContact O-N 3.48Å; S74-R78 VanDerWaalsContact O-N 3.09Å; V75-R78 PolarHBondContact O-N 3.36Å; V75-R78 VanDerWaalsContact O-N 3.09Å; R78-I80 PolarHBondContact O-N 2.6Å |
| 79 | L | 79.9 | Confident | 85.6 | Confident | 65 Ų | 65 | 83 Ų | 83 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | trans | -76.3 | 120.1 | -174 | -61.3 | 177.7 | 0 | 0 | 0 | 110.8 | S74 R77 Y81 | S74-L79 PolarHBondContact O-N 2.98Å; R77-L79 HydrophobicContact CB-CD1 4.18Å; R77-L79 HydrophobicContact CB-CD2 3.8Å; R77-L79 HydrophobicContact CB-CG 3.69Å; R77-L79 PolarHBondContact O-N 3.36Å; L79-Y81 HydrophobicContact CB-CE1 4.14Å; L79-Y81 HydrophobicContact CB-CE2 4.23Å; L79-Y81 HydrophobicContact CD1-CE1 4.35Å; L79-Y81 VanDerWaalsContact CD1-OH 3.29Å; L79-Y81 WeakPolarHBondContact CD1-OH 3.42Å | ||
| 80 | I | 85 | Confident | 85.3 | Confident | 120 Ų | 120 | 83.5 Ų | 83.5 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | trans | -89.3 | 127.4 | 169.7 | -56.6 | 174.1 | 0 | 0 | 0 | 107.6 | R78 | R78-I80 PolarHBondContact O-N 2.6Š| ||
| 81 | Y | 87.5 | Confident | 85.1 | Confident | 48 Ų | 48 | 87.2 Ų | 87.2 | 19% | 0.188 | 43% | 0.426 | C | S | . | . | trans | -116.9 | 132.9 | 176.8 | -59 | -63.3 | 0 | 0 | 0 | 109.4 | F70 S74 L79 Q101 A102 L105 | F70-Y81 AromaticContact CE2-CE2 3.8Å; F70-Y81 HydrophobicContact CE2-CE2 3.8Å; F70-Y81 AromaticContact CE2-CZ 3.89Å; F70-Y81 HydrophobicContact CZ-CD2 4.16Å; F70-Y81 AromaticContact CZ-CE2 3.51Å; F70-Y81 HydrophobicContact CZ-CE2 3.51Å; S74-Y81 WeakPolarHBondContact OG-CE2 3.41Å; S74-Y81 PolarHBondContact OG-OH 3.15Å; L79-Y81 HydrophobicContact CB-CE1 4.14Å; L79-Y81 HydrophobicContact CB-CE2 4.23Å; L79-Y81 HydrophobicContact CD1-CE1 4.35Å; L79-Y81 VanDerWaalsContact CD1-OH 3.29Å; L79-Y81 WeakPolarHBondContact CD1-OH 3.42Å; Y81-Q101 HydrophobicContact CD1-CB 3.56Å; Y81-Q101 HydrophobicContact CD1-CG 4.37Å; Y81-Q101 HydrophobicContact CD2-CB 3.92Å; Y81-Q101 HydrophobicContact CE1-CB 3.84Å; Y81-Q101 HydrophobicContact CE1-CG 4.3Å; Y81-Q101 HydrophobicContact CE2-CB 4.18Å; Y81-Q101 HydrophobicContact CG-CB 3.6Å; Y81-A102 WeakPolarHBondContact O-CB 3.35Å; Y81-L105 HydrophobicContact CD2-CB 4.17Å; Y81-L105 HydrophobicContact CD2-CD2 3.82Å; Y81-L105 HydrophobicContact CE2-CB 4.48Å; Y81-L105 HydrophobicContact CE2-CD2 4.03Å | ||
| 82 | R | 82.4 | Confident | 85.1 | Confident | 151 Ų | 151 | 87.8 Ų | 87.8 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | trans | -98.3 | 142.6 | 172.8 | -68.8 | -177.3 | 169.2 | 93.8 | -2.1 | 111 | E187 | R82-E187 IonicContact CZ-OE1 3.81Å; R82-E187 IonicContact CZ-OE2 3.27Å; R82-E187 IonicContact NH1-OE1 3.22Å; R82-E187 PolarHBondContact NH1-OE1 3.07Å; R82-E187 IonicContact NH2-OE1 2.76Å; R82-E187 PolarHBondContact NH2-OE1 3.38Å; R82-E187 IonicContact NH2-OE2 2.8Å; R82-E187 PolarHBondContact NH2-OE2 2.92Å | ||
| 83 | C | 87 | Confident | 85.1 | Confident | 25 Ų | 25 | 86.8 Ų | 86.8 | 17% | 0.169 | 43% | 0.428 | C | S | . | . | trans | -81 | 120.2 | 173.1 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | V85 G86 A102 | C83-V85 PolarHBondContact O-N 3.01Å; C83-G86 PolarHBondContact O-N 3.42Å; C83-A102 HydrophobicContact CB-CB 4.2Å | ||
| 84 | Q | 80.2 | Confident | 85.2 | Confident | 196 Ų | 196 | 86.7 Ų | 86.7 | 92% | 0.916 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.8 | 178.1 | -68.7 | -180 | -15.2 | 0 | 0 | 113.6 | ||
| 85 | V | 77.3 | Confident | 85.2 | Confident | 111 Ų | 111 | 89.9 Ų | 89.9 | 67% | 0.673 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -0.6 | 179.2 | -171.2 | 0 | 0 | 0 | 0 | 111.6 | C83 A87 | C83-V85 PolarHBondContact O-N 3.01Å; V85-A87 VanDerWaalsContact C-N 3.28Å; V85-A87 PolarHBondContact O-N 3.31Å |
| 86 | G | 68.8 | Low | 85.1 | Confident | 40 Ų | 40 | 91.7 Ų | 91.7 | 41% | 0.412 | 46% | 0.463 | S | S | . | . | S | Bend | trans | 74.7 | -78.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | C83 G88 | C83-G86 PolarHBondContact O-N 3.42Å; G86-G88 PolarHBondContact O-N 2.85Å |
| 87 | A | 76.1 | Confident | 85.6 | Confident | 60 Ų | 60 | 90 Ų | 90 | 50% | 0.496 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -56.6 | 8.5 | -164.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | V85 M89 | V85-A87 VanDerWaalsContact C-N 3.28Å; V85-A87 PolarHBondContact O-N 3.31Å; A87-M89 VanDerWaalsContact O-CG 3.23Å; A87-M89 WeakPolarHBondContact O-CG 3.42Å; A87-M89 PolarHBondContact O-N 3.04Å |
| 88 | G | 78.9 | Confident | 86.2 | Confident | 14 Ų | 14 | 86.9 Ų | 86.9 | 14% | 0.144 | 45% | 0.453 | C | S | . | . | S | Bend | trans | 63.4 | 10.8 | 166 | 0 | 0 | 0 | 0 | 0 | 117.5 | G86 C103 K106 | G86-G88 PolarHBondContact O-N 2.85Å; G88-C103 PolarHBondContact O-SG 3.38Å; G88-K106 PolarHBondContact O-NZ 3.36Å |
| 89 | M | 86.8 | Confident | 86.6 | Confident | 157 Ų | 157 | 82.3 Ų | 82.3 | 77% | 0.773 | 44% | 0.442 | S | S | * | . | trans | -120.3 | 22.9 | -168.2 | -71 | -65.1 | -76.4 | 0 | 0 | 114.8 | A87 | A87-M89 VanDerWaalsContact O-CG 3.23Å; A87-M89 WeakPolarHBondContact O-CG 3.42Å; A87-M89 PolarHBondContact O-N 3.04Å | ||
| 90 | C | 90.4 | Very high | 87.3 | Confident | 26 Ų | 26 | 80 Ų | 80 | 18% | 0.176 | 43% | 0.43 | C | S | . | . | trans | -58.7 | 139.8 | 177.9 | -57 | 0 | 0 | 0 | 0 | 112.1 | C100 C103 | C90-C100 HydrophobicContact CB-CB 3.7Å; C90-C103 HydrophobicContact CB-CB 3.94Å; C90-C103 PolarHBondContact N-SG 3.48Å | ||
| 91 | P | 92.8 | Very high | 87.7 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | trans | -64.1 | 136.9 | -180 | 26.2 | -34.3 | 0 | 0 | 0 | 111.8 | ||||
| 92 | V | 96 | Very high | 88 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 7% | 0.073 | 42% | 0.422 | C | S | . | . | trans | -124.5 | 92.6 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | V49 C50 R97 C103 R104 K107 | V49-V92 HydrophobicContact CG1-CG1 4.12Å; C50-V92 HydrophobicContact CB-CG1 4.23Å; V92-R97 HydrophobicContact CG1-CB 3.94Å; V92-C103 HydrophobicContact CG2-CB 4.21Å; V92-R104 HydrophobicContact CG1-CB 4.44Å; V92-R104 HydrophobicContact CG1-CG 4.11Å; V92-R104 HydrophobicContact CG2-CB 4.47Å; V92-K107 HydrophobicContact CB-CD 3.73Å; V92-K107 HydrophobicContact CG1-CD 4.1Å; V92-K107 HydrophobicContact CG2-CD 4.26Å; V92-K107 PolarHBondContact O-NZ 2.77Å | ||
| 93 | D | 95.3 | Very high | 88.6 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 30% | 0.299 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -122.6 | -174.7 | 175.3 | 66.2 | 56.1 | 0 | 0 | 0 | 111.3 | C50 A95 H96 R97 | C50-D93 CarbonylContact O-C 3.54Å; C50-D93 WeakPolarHBondContact O-CA 3.39Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.1Å; D93-A95 WeakPolarHBondContact OD1-CA 3.38Å; D93-A95 PolarHBondContact OD1-N 2.95Å; D93-H96 IonicContact OD1-CG 3.49Å; D93-H96 PolarHBondContact OD1-N 3.38Å; D93-H96 IonicContact OD1-ND1 2.73Å; D93-H96 PolarHBondContact OD1-ND1 3.04Å; D93-H96 IonicContact OD2-CE1 2.69Å; D93-H96 IonicContact OD2-CG 3.39Å; D93-H96 IonicContact OD2-ND1 3.46Å; D93-H96 PolarHBondContact OD2-ND1 2.98Å; D93-R97 WeakPolarHBondContact O-CB 3.49Å; D93-R97 VanDerWaalsContact O-CG 3.3Å; D93-R97 WeakPolarHBondContact O-CG 3.35Å; D93-R97 PolarHBondContact O-N 3.27Å |
| 94 | K | 93 | Very high | 89.1 | Confident | 128 Ų | 128 | 70.1 Ų | 70.1 | 56% | 0.557 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -39.5 | -176 | 178 | 172.2 | 178.5 | 148.7 | 0 | 113.4 | C50 D52 R97 | C50-K94 PolarHBondContact O-N 2.77Å; D52-K94 HydrophobicContact CB-CB 4.25Å; D52-K94 HydrophobicContact CB-CD 4.2Å; D52-K94 HydrophobicContact CB-CG 4.07Å; D52-K94 VanDerWaalsContact OD1-CD 3.31Å; D52-K94 WeakPolarHBondContact OD1-CD 3.23Å; D52-K94 WeakPolarHBondContact OD1-CE 3.43Å; D52-K94 IonicContact OD1-NZ 2.71Å; D52-K94 PolarHBondContact OD1-NZ 3Å; K94-R97 PolarHBondContact O-NE 3Å |
| 95 | A | 92.3 | Very high | 89.9 | Confident | 70 Ų | 70 | 62.3 Ų | 62.3 | 58% | 0.579 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -42 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D93 | D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.1Å; D93-A95 WeakPolarHBondContact OD1-CA 3.38Å; D93-A95 PolarHBondContact OD1-N 2.95Å |
| 96 | H | 90.5 | Very high | 90.7 | Very high | 77 Ų | 77 | 59.5 Ų | 59.5 | 36% | 0.356 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -6.4 | -165.7 | -52.8 | 126.4 | 0 | 0 | 0 | 114.7 | D93 N98 Q99 | D93-H96 IonicContact OD1-CG 3.49Å; D93-H96 PolarHBondContact OD1-N 3.38Å; D93-H96 IonicContact OD1-ND1 2.73Å; D93-H96 PolarHBondContact OD1-ND1 3.04Å; D93-H96 IonicContact OD2-CE1 2.69Å; D93-H96 IonicContact OD2-CG 3.39Å; D93-H96 IonicContact OD2-ND1 3.46Å; D93-H96 PolarHBondContact OD2-ND1 2.98Å; H96-N98 PolarHBondContact O-N 3.39Å; H96-Q99 HydrophobicContact CB-CG 4.34Å; H96-Q99 PolarHBondContact CD2-NE2 3.38Å; H96-Q99 WeakPolarHBondContact O-CB 3.44Å; H96-Q99 WeakPolarHBondContact O-CG 3.33Å; H96-Q99 PolarHBondContact O-N 3.42Å |
| 97 | R | 93.8 | Very high | 92 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 15% | 0.151 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -11.4 | 175.2 | 61 | -171.5 | -178.2 | -170 | -7.7 | 116.7 | C50 D52 C64 V92 D93 K94 R104 | C50-R97 HydrophobicContact CB-CB 4.15Å; C50-R97 PolarHBondContact SG-NH1 3.15Å; D52-R97 VanDerWaalsContact CB-NH1 3.35Å; D52-R97 IonicContact OD2-CZ 3.71Å; D52-R97 VanDerWaalsContact OD2-CZ 3.25Å; D52-R97 IonicContact OD2-NH1 3.4Å; D52-R97 PolarHBondContact OD2-NH1 3.23Å; D52-R97 IonicContact OD2-NH2 3.6Å; D52-R97 PolarHBondContact OD2-NH2 3.02Å; C64-R97 PolarHBondContact SG-NH1 3.47Å; V92-R97 HydrophobicContact CG1-CB 3.94Å; D93-R97 WeakPolarHBondContact O-CB 3.49Å; D93-R97 VanDerWaalsContact O-CG 3.3Å; D93-R97 WeakPolarHBondContact O-CG 3.35Å; D93-R97 PolarHBondContact O-N 3.27Å; K94-R97 PolarHBondContact O-NE 3Å; R97-R104 WeakPolarHBondContact O-CD 3.43Å; R97-R104 PolarHBondContact O-NH1 3.3Å |
| 98 | N | 93.4 | Very high | 93 | Very high | 117 Ų | 117 | 58.2 Ų | 58.2 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -11.3 | 176.1 | -67.1 | -17.1 | 0 | 0 | 0 | 113.4 | H96 R104 | H96-N98 PolarHBondContact O-N 3.39Å; N98-R104 PolarHBondContact OD1-NH1 2.9Å |
| 99 | Q | 91.3 | Very high | 93.8 | Very high | 130 Ų | 130 | 60 Ų | 60 | 61% | 0.607 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -40.4 | -175.3 | -67.6 | 177.1 | -10.8 | 0 | 0 | 113 | H96 | H96-Q99 HydrophobicContact CB-CG 4.34Å; H96-Q99 PolarHBondContact CD2-NE2 3.38Å; H96-Q99 WeakPolarHBondContact O-CB 3.44Å; H96-Q99 WeakPolarHBondContact O-CG 3.33Å; H96-Q99 PolarHBondContact O-N 3.42Å |
| 100 | C | 94 | Very high | 94.2 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 10% | 0.101 | 30% | 0.303 | C | S | . | . | trans | -130.5 | 109 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 111 | C90 A102 C103 R104 | C90-C100 HydrophobicContact CB-CB 3.7Å; C100-A102 VanDerWaalsContact C-N 3.34Å; C100-C103 HydrophobicContact CB-CB 4.17Å; C100-C103 PolarHBondContact SG-N 3.44Å; C100-R104 WeakPolarHBondContact O-CB 3.43Å; C100-R104 PolarHBondContact O-N 3.01Å; C100-R104 VanDerWaalsContact O-N 3.15Å | ||
| 101 | Q | 94 | Very high | 94.3 | Very high | 104 Ų | 104 | 58.4 Ų | 58.4 | 49% | 0.486 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 179.1 | -65.4 | 175.2 | -26.3 | 0 | 0 | 111.7 | F70 Y81 R104 L105 | F70-Q101 HydrophobicContact CE2-CB 4.18Å; F70-Q101 HydrophobicContact CE2-CG 4.25Å; F70-Q101 HydrophobicContact CZ-CB 4.28Å; F70-Q101 WeakPolarHBondContact CZ-O 3.21Å; Y81-Q101 HydrophobicContact CD1-CB 3.56Å; Y81-Q101 HydrophobicContact CD1-CG 4.37Å; Y81-Q101 HydrophobicContact CD2-CB 3.92Å; Y81-Q101 HydrophobicContact CE1-CB 3.84Å; Y81-Q101 HydrophobicContact CE1-CG 4.3Å; Y81-Q101 HydrophobicContact CE2-CB 4.18Å; Y81-Q101 HydrophobicContact CG-CB 3.6Å; Q101-R104 PolarHBondContact O-N 3.42Å; Q101-L105 PolarHBondContact O-N 2.91Å |
| 102 | A | 93.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -57 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y81 C83 C100 R104 L105 K106 | Y81-A102 WeakPolarHBondContact O-CB 3.35Å; C83-A102 HydrophobicContact CB-CB 4.2Å; C100-A102 VanDerWaalsContact C-N 3.34Å; A102-R104 VanDerWaalsContact C-N 3.25Å; A102-R104 PolarHBondContact O-N 3.47Å; A102-L105 PolarHBondContact O-N 2.88Å; A102-L105 VanDerWaalsContact O-N 3.1Å; A102-K106 WeakPolarHBondContact O-CB 3.39Å; A102-K106 PolarHBondContact O-N 3.49Å |
| 103 | C | 95.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.034 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -33.8 | 178.3 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | G88 C90 V92 C100 K107 | G88-C103 PolarHBondContact O-SG 3.38Å; C90-C103 HydrophobicContact CB-CB 3.94Å; C90-C103 PolarHBondContact N-SG 3.48Å; V92-C103 HydrophobicContact CG2-CB 4.21Å; C100-C103 HydrophobicContact CB-CB 4.17Å; C100-C103 PolarHBondContact SG-N 3.44Å; C103-K107 VanDerWaalsContact O-CB 3.29Å; C103-K107 WeakPolarHBondContact O-CB 3.19Å; C103-K107 PolarHBondContact O-N 2.83Å |
| 104 | R | 97.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 173.5 | -167.1 | -164.1 | -167.3 | 148 | -4.1 | 112.4 | G66 C67 F70 V92 R97 N98 C100 Q101 A102 K107 C108 | G66-R104 PolarHBondContact O-NH2 2.89Å; C67-R104 PolarHBondContact SG-NH2 3.44Å; F70-R104 HydrophobicContact CD1-CG 4.07Å; F70-R104 HydrophobicContact CE1-CB 4.07Å; F70-R104 HydrophobicContact CE1-CG 3.9Å; F70-R104 HydrophobicContact CZ-CB 4.22Å; F70-R104 HydrophobicContact CZ-CG 4.4Å; V92-R104 HydrophobicContact CG1-CB 4.44Å; V92-R104 HydrophobicContact CG1-CG 4.11Å; V92-R104 HydrophobicContact CG2-CB 4.47Å; R97-R104 WeakPolarHBondContact O-CD 3.43Å; R97-R104 PolarHBondContact O-NH1 3.3Å; N98-R104 PolarHBondContact OD1-NH1 2.9Å; C100-R104 WeakPolarHBondContact O-CB 3.43Å; C100-R104 PolarHBondContact O-N 3.01Å; C100-R104 VanDerWaalsContact O-N 3.15Å; Q101-R104 PolarHBondContact O-N 3.42Å; A102-R104 VanDerWaalsContact C-N 3.25Å; A102-R104 PolarHBondContact O-N 3.47Å; R104-K107 PolarHBondContact O-N 2.87Å; R104-C108 PolarHBondContact O-N 3.42Å; R104-C108 PolarHBondContact O-SG 3.3Å; R104-C108 VanDerWaalsContact O-SG 3.33Å |
| 105 | L | 96.4 | Very high | 94 | Very high | 31 Ų | 31 | 55 Ų | 55 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.8 | -45.5 | 179 | -173.4 | 60.9 | 0 | 0 | 0 | 111.4 | F70 F71 Y81 Q101 A102 K107 C108 L109 | F70-L105 HydrophobicContact CE1-CB 3.84Å; F70-L105 HydrophobicContact CE1-CD1 4.07Å; F70-L105 HydrophobicContact CZ-CB 4.05Å; F71-L105 HydrophobicContact CD2-CD1 3.95Å; F71-L105 HydrophobicContact CE2-CD1 4.36Å; Y81-L105 HydrophobicContact CD2-CB 4.17Å; Y81-L105 HydrophobicContact CD2-CD2 3.82Å; Y81-L105 HydrophobicContact CE2-CB 4.48Å; Y81-L105 HydrophobicContact CE2-CD2 4.03Å; Q101-L105 PolarHBondContact O-N 2.91Å; A102-L105 PolarHBondContact O-N 2.88Å; A102-L105 VanDerWaalsContact O-N 3.1Å; L105-K107 VanDerWaalsContact C-N 3.29Å; L105-K107 PolarHBondContact O-N 3.31Å; L105-C108 WeakPolarHBondContact O-CB 3.31Å; L105-C108 PolarHBondContact O-N 3.29Å; L105-L109 PolarHBondContact O-N 3.28Å; L105-L109 VanDerWaalsContact O-N 3.08Å |
| 106 | K | 94.9 | Very high | 93.7 | Very high | 53 Ų | 53 | 57.9 Ų | 57.9 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -50.6 | -49 | 170.9 | 179.3 | 172.2 | 174.6 | 176.6 | 0 | 111 | G88 A102 C108 L109 Q110 I195 | G88-K106 PolarHBondContact O-NZ 3.36Å; A102-K106 WeakPolarHBondContact O-CB 3.39Å; A102-K106 PolarHBondContact O-N 3.49Å; K106-C108 PolarHBondContact O-N 3.04Å; K106-L109 PolarHBondContact O-N 2.92Å; K106-Q110 WeakPolarHBondContact O-CB 3.33Å; K106-Q110 VanDerWaalsContact O-CG 3.32Å; K106-Q110 WeakPolarHBondContact O-CG 3.37Å; K106-Q110 PolarHBondContact O-N 3.48Å; K106-I195 HydrophobicContact CD-CD1 4.47Å; K106-I195 HydrophobicContact CG-CG2 4.49Å |
| 107 | K | 96.6 | Very high | 93.5 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 32% | 0.317 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70 | -28.3 | 177.9 | -163.4 | 175.6 | -179 | -172.7 | 0 | 114.1 | V49 V92 C103 R104 L105 A111 | V49-K107 HydrophobicContact CG1-CB 4.33Å; V49-K107 HydrophobicContact CG1-CG 4.31Å; V49-K107 WeakPolarHBondContact O-CD 3.47Å; V49-K107 WeakPolarHBondContact O-CE 3.34Å; V49-K107 PolarHBondContact O-NZ 2.88Å; V92-K107 HydrophobicContact CB-CD 3.73Å; V92-K107 HydrophobicContact CG1-CD 4.1Å; V92-K107 HydrophobicContact CG2-CD 4.26Å; V92-K107 PolarHBondContact O-NZ 2.77Å; C103-K107 VanDerWaalsContact O-CB 3.29Å; C103-K107 WeakPolarHBondContact O-CB 3.19Å; C103-K107 PolarHBondContact O-N 2.83Å; R104-K107 PolarHBondContact O-N 2.87Å; L105-K107 VanDerWaalsContact C-N 3.29Å; L105-K107 PolarHBondContact O-N 3.31Å; K107-A111 WeakPolarHBondContact O-CB 3.39Å; K107-A111 PolarHBondContact O-N 3.3Å |
| 108 | C | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 170 | -74.8 | 0 | 0 | 0 | 0 | 111.5 | V49 F71 R104 L105 K106 A111 G112 M113 | V49-C108 HydrophobicContact CG2-CB 4.48Å; F71-C108 HydrophobicContact CD2-CB 3.65Å; F71-C108 HydrophobicContact CE2-CB 4.2Å; R104-C108 PolarHBondContact O-N 3.42Å; R104-C108 PolarHBondContact O-SG 3.3Å; R104-C108 VanDerWaalsContact O-SG 3.33Å; L105-C108 WeakPolarHBondContact O-CB 3.31Å; L105-C108 PolarHBondContact O-N 3.29Å; K106-C108 PolarHBondContact O-N 3.04Å; C108-A111 PolarHBondContact O-N 3.29Å; C108-G112 PolarHBondContact O-N 3.42Å; C108-M113 HydrophobicContact CB-CB 4.37Å; C108-M113 HydrophobicContact CB-CG 4.21Å; C108-M113 HydrophobicContact CB-SD 3.66Å; C108-M113 VanDerWaalsContact O-CB 3.29Å; C108-M113 WeakPolarHBondContact O-CB 3.44Å; C108-M113 WeakPolarHBondContact O-CG 3.3Å; C108-M113 PolarHBondContact O-N 3.3Å |
| 109 | L | 95.6 | Very high | 92.5 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.5 | -51.6 | 179 | -66.9 | 167.2 | 0 | 0 | 0 | 111 | F71 L105 K106 A111 G112 V197 | F71-L109 HydrophobicContact CE2-CD2 3.78Å; F71-L109 HydrophobicContact CE2-CG 4.3Å; F71-L109 HydrophobicContact CZ-CD2 4.19Å; L105-L109 PolarHBondContact O-N 3.28Å; L105-L109 VanDerWaalsContact O-N 3.08Å; K106-L109 PolarHBondContact O-N 2.92Å; L109-A111 PolarHBondContact O-N 2.94Å; L109-G112 WeakPolarHBondContact O-CA 3.36Å; L109-G112 PolarHBondContact O-N 3.02Å; L109-V197 HydrophobicContact CD1-CG2 4.41Å |
| 110 | Q | 94.4 | Very high | 91.1 | Very high | 127 Ų | 127 | 56.5 Ų | 56.5 | 59% | 0.593 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.6 | -32.5 | 176.8 | -71.1 | 175.4 | -29.5 | 0 | 0 | 113.5 | K106 G112 | K106-Q110 WeakPolarHBondContact O-CB 3.33Å; K106-Q110 VanDerWaalsContact O-CG 3.32Å; K106-Q110 WeakPolarHBondContact O-CG 3.37Å; K106-Q110 PolarHBondContact O-N 3.48Å; Q110-G112 PolarHBondContact O-N 3.24Å |
| 111 | A | 94 | Very high | 89.5 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R48 V49 I61 K107 C108 L109 | R48-A111 HydrophobicContact CB-CB 4.22Å; V49-A111 HydrophobicContact CG2-CB 4.08Å; I61-A111 HydrophobicContact CD1-CB 3.62Å; I61-A111 WeakPolarHBondContact CG2-O 3.42Å; K107-A111 WeakPolarHBondContact O-CB 3.39Å; K107-A111 PolarHBondContact O-N 3.3Å; C108-A111 PolarHBondContact O-N 3.29Å; L109-A111 PolarHBondContact O-N 2.94Å |
| 112 | G | 94.6 | Very high | 88.1 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 42% | 0.423 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.7 | 20.9 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | I61 C108 L109 Q110 N114 | I61-G112 VanDerWaalsContact CG2-O 3.31Å; I61-G112 WeakPolarHBondContact CG2-O 3.46Å; C108-G112 PolarHBondContact O-N 3.42Å; L109-G112 WeakPolarHBondContact O-CA 3.36Å; L109-G112 PolarHBondContact O-N 3.02Å; Q110-G112 PolarHBondContact O-N 3.24Å; G112-N114 PolarHBondContact O-N 3.44Å |
| 113 | M | 96.5 | Very high | 85.6 | Confident | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.03 | 37% | 0.372 | C | S | . | . | trans | -69.5 | 115.8 | 175.2 | -72 | -167.4 | 168 | 0 | 0 | 111.7 | V49 Y59 I61 A63 C67 F71 C108 Q115 | V49-M113 HydrophobicContact CG2-CE 4.08Å; Y59-M113 CarbonylContact O-C 3.18Å; Y59-M113 WeakPolarHBondContact O-CA 3.41Å; I61-M113 HydrophobicContact CD1-CE 4.03Å; I61-M113 HydrophobicContact CD1-CG 3.49Å; I61-M113 VanDerWaalsContact CD1-CG 3.49Å; I61-M113 HydrophobicContact CG1-CE 4.1Å; I61-M113 HydrophobicContact CG1-CG 3.68Å; A63-M113 HydrophobicContact CB-CE 3.33Å; C67-M113 HydrophobicContact CB-CE 4.29Å; F71-M113 HydrophobicContact CB-SD 3.57Å; F71-M113 VanDerWaalsContact CB-SD 3.57Å; F71-M113 HydrophobicContact CD1-CB 4.08Å; F71-M113 HydrophobicContact CD1-SD 4Å; F71-M113 HydrophobicContact CD2-CB 3.89Å; F71-M113 HydrophobicContact CD2-CG 4.45Å; F71-M113 HydrophobicContact CD2-SD 3.78Å; F71-M113 HydrophobicContact CE1-CB 3.79Å; F71-M113 HydrophobicContact CE2-CB 3.59Å; F71-M113 HydrophobicContact CE2-SD 4.47Å; F71-M113 HydrophobicContact CG-CB 4.13Å; F71-M113 HydrophobicContact CG-CG 4.45Å; F71-M113 HydrophobicContact CG-SD 3.5Å; F71-M113 VanDerWaalsContact CG-SD 3.5Å; F71-M113 HydrophobicContact CZ-CB 3.53Å; F71-M113 VanDerWaalsContact CZ-O 3.29Å; F71-M113 WeakPolarHBondContact CZ-O 3.14Å; C108-M113 HydrophobicContact CB-CB 4.37Å; C108-M113 HydrophobicContact CB-CG 4.21Å; C108-M113 HydrophobicContact CB-SD 3.66Å; C108-M113 VanDerWaalsContact O-CB 3.29Å; C108-M113 WeakPolarHBondContact O-CB 3.44Å; C108-M113 WeakPolarHBondContact O-CG 3.3Å; C108-M113 PolarHBondContact O-N 3.3Å; M113-Q115 PolarHBondContact O-N 3.1Å | ||
| 114 | N | 90.9 | Very high | 83.7 | Confident | 75 Ų | 75 | 79 Ų | 79 | 40% | 0.401 | 41% | 0.407 | S | S | . | . | trans | -77.3 | 118.5 | 178.2 | 179.9 | -40.8 | 0 | 0 | 0 | 111 | Y59 F71 G112 D116 A117 | Y59-N114 PolarHBondContact O-N 2.97Å; F71-N114 WeakPolarHBondContact CE1-O 3.37Å; G112-N114 PolarHBondContact O-N 3.44Å; N114-D116 WeakPolarHBondContact OD1-CA 3.26Å; N114-D116 WeakPolarHBondContact OD1-CB 3.38Å; N114-D116 PolarHBondContact OD1-N 3.1Å; N114-A117 HydrophobicContact CB-CB 4.38Å; N114-A117 PolarHBondContact OD1-N 3.45Å | ||
| 115 | Q | 88.9 | Confident | 81.5 | Confident | 88 Ų | 88 | 90 Ų | 90 | 41% | 0.411 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -72 | -33.9 | 179.1 | 64.4 | -171.2 | -2.2 | 0 | 0 | 113.8 | F71 V75 M113 A117 V118 | F71-Q115 HydrophobicContact CZ-CB 4.09Å; V75-Q115 HydrophobicContact CG1-CB 4.12Å; V75-Q115 HydrophobicContact CG2-CB 4.13Å; M113-Q115 PolarHBondContact O-N 3.1Å; Q115-A117 PolarHBondContact O-N 3.05Å; Q115-V118 WeakPolarHBondContact O-CB 3.44Å; Q115-V118 VanDerWaalsContact O-CG2 3.31Å; Q115-V118 WeakPolarHBondContact O-CG2 3.36Å; Q115-V118 PolarHBondContact O-N 2.95Å |
| 116 | D | 84.8 | Confident | 79 | Confident | 131 Ų | 131 | 92 Ų | 92 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.9 | -178.3 | -46.3 | -54.2 | 0 | 0 | 0 | 112.1 | N114 V118 | N114-D116 WeakPolarHBondContact OD1-CA 3.26Å; N114-D116 WeakPolarHBondContact OD1-CB 3.38Å; N114-D116 PolarHBondContact OD1-N 3.1Å; D116-V118 PolarHBondContact O-N 2.95Å |
| 117 | A | 85.9 | Confident | 76.8 | Confident | 52 Ų | 52 | 96.5 Ų | 96.5 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -6.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y59 N114 Q115 Q119 | Y59-A117 HydrophobicContact CD1-CB 4.01Å; N114-A117 HydrophobicContact CB-CB 4.38Å; N114-A117 PolarHBondContact OD1-N 3.45Å; Q115-A117 PolarHBondContact O-N 3.05Å; A117-Q119 PolarHBondContact O-N 3.3Å |
| 118 | V | 86.6 | Confident | 74.6 | Confident | 18 Ų | 18 | 96.8 Ų | 96.8 | 11% | 0.109 | 51% | 0.513 | C | S | . | . | trans | -86 | 81.8 | 176.9 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | Y59 F71 K72 V75 R76 Q115 D116 | Y59-V118 HydrophobicContact CD1-CG2 3.74Å; Y59-V118 HydrophobicContact CE1-CB 4.41Å; Y59-V118 HydrophobicContact CE1-CG2 3.61Å; Y59-V118 HydrophobicContact CG-CG2 4.5Å; F71-V118 HydrophobicContact CD1-CG2 4.1Å; F71-V118 HydrophobicContact CE1-CG2 3.85Å; K72-V118 HydrophobicContact CG-CG1 4.1Å; V75-V118 HydrophobicContact CB-CB 4.3Å; V75-V118 HydrophobicContact CB-CG1 4.24Å; V75-V118 HydrophobicContact CB-CG2 4.06Å; V75-V118 HydrophobicContact CG1-CB 3.84Å; V75-V118 HydrophobicContact CG1-CG1 4.11Å; V75-V118 HydrophobicContact CG1-CG2 3.96Å; V75-V118 HydrophobicContact CG2-CG2 4.32Å; R76-V118 HydrophobicContact CG-CG1 3.53Å; Q115-V118 WeakPolarHBondContact O-CB 3.44Å; Q115-V118 VanDerWaalsContact O-CG2 3.31Å; Q115-V118 WeakPolarHBondContact O-CG2 3.36Å; Q115-V118 PolarHBondContact O-N 2.95Å; D116-V118 PolarHBondContact O-N 2.95Å | ||
| 119 | Q | 79.9 | Confident | 71.9 | Confident | 122 Ų | 122 | 104.1 Ų | 104.1 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 147.9 | 175 | -64.2 | -177.8 | -14.8 | 0 | 0 | 112.5 | R76 A117 | R76-Q119 VanDerWaalsContact CZ-O 3.25Å; R76-Q119 PolarHBondContact NE-O 3.27Å; R76-Q119 PolarHBondContact NH2-O 2.9Å; A117-Q119 PolarHBondContact O-N 3.3Å |
| 120 | N | 61.9 | Low | 69.6 | Low | 143 Ų | 143 | 108.1 Ų | 108.1 | 77% | 0.765 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -58 | 165.6 | 172.2 | -112.8 | 4.6 | 0 | 0 | 0 | 112.5 | R122 | N120-R122 PolarHBondContact O-N 3.14Š|
| 121 | E | 61.2 | Low | 66.7 | Low | 136 Ų | 136 | 112 Ų | 112 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.4 | 176.3 | -66.2 | -59.9 | 148.8 | 0 | 0 | 110.8 | R76 | R76-E121 VanDerWaalsContact CD-OE1 3.26Å; R76-E121 WeakPolarHBondContact CD-OE1 3.12Å; R76-E121 IonicContact CZ-OE1 3.54Å; R76-E121 IonicContact NE-OE1 2.77Å; R76-E121 IonicContact NH1-OE1 3.55Å; R76-E121 PolarHBondContact NH1-OE1 3.02Å; R76-E121 IonicContact NH1-OE2 2.68Å; R76-E121 PolarHBondContact NH1-OE2 3.49Å |
| 122 | R | 63.1 | Low | 64.4 | Low | 191 Ų | 191 | 118.7 Ų | 118.7 | 72% | 0.721 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -81 | 143.1 | 166.8 | -63 | -176.9 | -179.4 | -148.1 | -3.4 | 107.3 | N120 | N120-R122 PolarHBondContact O-N 3.14Š|
| 123 | Q | 42.2 | Very low | 61.6 | Low | 167 Ų | 167 | 124 Ų | 124 | 78% | 0.78 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 140.6 | 170.5 | -89.8 | 72.7 | 15.4 | 0 | 0 | 110.3 | R125 | Q123-R125 PolarHBondContact O-N 3.37Å; Q123-R125 VanDerWaalsContact O-N 3.12Å |
| 124 | P | 54.8 | Low | 58.6 | Low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 122.8 | 173.5 | -23.3 | 32.7 | 0 | 0 | 0 | 109.7 | S126 | P124-S126 PolarHBondContact O-N 3.38Š|
| 125 | R | 52.1 | Low | 55.9 | Low | 243 Ų | 243 | 134.6 Ų | 134.6 | 92% | 0.917 | 70% | 0.695 | S | S | * | * | trans | -72 | 74.6 | 164.4 | -81.1 | -175.8 | 166.8 | 179.1 | -6.1 | 108.1 | Q123 T127 | Q123-R125 PolarHBondContact O-N 3.37Å; Q123-R125 VanDerWaalsContact O-N 3.12Å; R125-T127 PolarHBondContact O-N 3.13Å | ||
| 126 | S | 43.4 | Very low | 53.2 | Low | 75 Ų | 75 | 139.9 Ų | 139.9 | 52% | 0.524 | 72% | 0.72 | S | S | . | * | trans | -75.3 | 106.4 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | P124 A128 | P124-S126 PolarHBondContact O-N 3.38Å; S126-A128 PolarHBondContact OG-N 3.37Å; S126-A128 PolarHBondContact OG-O 2.96Å | ||
| 127 | T | 48.8 | Very low | 50.5 | Low | 147 Ų | 147 | 139.1 Ų | 139.1 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | -92.4 | 24.9 | 160.3 | 52 | 0 | 0 | 0 | 0 | 111.1 | R125 | R125-T127 PolarHBondContact O-N 3.13Š| ||
| 128 | A | 50.1 | Low | 47.8 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | trans | -135.1 | 74.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S126 | S126-A128 PolarHBondContact OG-N 3.37Å; S126-A128 PolarHBondContact OG-O 2.96Å | ||
| 129 | Q | 41.1 | Very low | 45.1 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -93.1 | 100.9 | 160.7 | -75.3 | -173 | -20.4 | 0 | 0 | 108.5 | R131 | Q129-R131 PolarHBondContact O-N 3.17Š| ||
| 130 | V | 45.4 | Very low | 42.8 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -75.6 | 109.4 | 159.9 | 177.4 | 0 | 0 | 0 | 0 | 106.5 | L132 | V130-L132 PolarHBondContact O-N 2.62Š| ||
| 131 | R | 35.2 | Very low | 41.5 | Very low | 210 Ų | 210 | 148.2 Ų | 148.2 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -77.4 | 117.1 | 172.2 | -82.2 | -176.7 | 164.4 | 92.4 | -3 | 109.1 | Q129 | Q129-R131 PolarHBondContact O-N 3.17Š| ||
| 132 | L | 45.6 | Very low | 40.1 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -99.5 | 89.7 | 159.3 | -91.8 | 157 | 0 | 0 | 0 | 107.3 | V130 | V130-L132 PolarHBondContact O-N 2.62Š| ||
| 133 | D | 35.7 | Very low | 38.9 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -175.7 | 122.5 | 142.9 | -118.6 | -35.1 | 0 | 0 | 0 | 111.1 | ||||
| 134 | S | 33 | Very low | 38.4 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 178.7 | 116 | 158.6 | -81.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 135 | M | 34 | Very low | 38.6 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | trans | 136.7 | 84.5 | 143.8 | -71.4 | 177 | 92.2 | 0 | 0 | 112.7 | ||||
| 136 | E | 32.2 | Very low | 37.6 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -108.8 | 158.4 | 149.7 | -81.4 | -163.8 | 119.6 | 0 | 0 | 109.9 | ||||
| 137 | S | 28.4 | Very low | 37.1 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 80 | 95.4 | 176.1 | -161.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 138 | S | 28.1 | Very low | 36.4 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | -161.9 | 117.7 | 117.9 | 0.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 139 | T | 31.3 | Very low | 36.3 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 46.9 | 117.4 | 137.5 | -22.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 140 | E | 31.1 | Very low | 36.9 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | trans | -52.2 | 150.6 | 158.3 | -88.2 | -71.4 | 130.2 | 0 | 0 | 114 | R142 | E140-R142 PolarHBondContact OE2-N 2.65Š| ||
| 141 | P | 33.9 | Very low | 36.4 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | -150.2 | 153.1 | 77 | 38.3 | -18.5 | 0 | 0 | 0 | 119.7 | |||||
| 142 | R | 33 | Very low | 37 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -51.8 | 150.5 | 166.5 | -150.9 | -159.2 | -179.1 | 164.3 | -2.3 | 115.2 | E140 E144 | E140-R142 PolarHBondContact OE2-N 2.65Å; R142-E144 IonicContact CZ-OE1 2.64Å; R142-E144 VanDerWaalsContact NE-CG 3.32Å; R142-E144 IonicContact NH2-OE1 3.64Å; R142-E144 PolarHBondContact NH2-OE1 3.38Å; R142-E144 IonicContact NH2-OE2 3.39Å | ||
| 143 | P | 37.4 | Very low | 36.7 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | -138.5 | 178.2 | 93.8 | 25.1 | -3.9 | 0 | 0 | 0 | 115.4 | |||||
| 144 | E | 31.1 | Very low | 36.6 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | -92.8 | -162.6 | -171.5 | -54.7 | -165.7 | 118.1 | 0 | 0 | 115.6 | R142 | R142-E144 IonicContact CZ-OE1 2.64Å; R142-E144 VanDerWaalsContact NE-CG 3.32Å; R142-E144 IonicContact NH2-OE1 3.64Å; R142-E144 PolarHBondContact NH2-OE1 3.38Å; R142-E144 IonicContact NH2-OE2 3.39Å | ||
| 145 | P | 59.2 | Low | 37.2 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | -120.3 | -171.2 | -82.1 | 37.5 | -20.1 | 0 | 0 | 0 | 111.5 | |||||
| 146 | L | 31.5 | Very low | 37.3 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | 171.1 | 122.1 | 144.6 | -90.6 | 155.9 | 0 | 0 | 0 | 113.8 | ||||
| 147 | V | 32.9 | Very low | 37.9 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 67.2 | 140.9 | 141.2 | -171.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 148 | A | 34 | Very low | 38.8 | Very low | 85 Ų | 85 | 129 Ų | 129 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | trans | -99.5 | -166 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 149 | P | 47.6 | Very low | 39.9 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -137.7 | -138.3 | 15.9 | 38.6 | -10.9 | 0 | 0 | 0 | 114.7 | ||||
| 150 | P | 54.1 | Low | 40.3 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | -132.4 | 173.8 | -110.9 | 42.8 | -23.3 | 0 | 0 | 0 | 119.5 | |||||
| 151 | T | 34.7 | Very low | 40.9 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | trans | 68.2 | 162.3 | 158 | 51.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 152 | P | 48.5 | Very low | 41.8 | Very low | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | cis | -129.2 | 161.7 | -7.4 | 29.5 | -8.4 | 0 | 0 | 0 | 117.5 | ||||
| 153 | A | 38.3 | Very low | 42.3 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | trans | 25 | 122.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 154 | G | 34.7 | Very low | 43 | Very low | 68 Ų | 68 | 117.1 Ų | 117.1 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -141.6 | 148.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 155 | P | 44.7 | Very low | 43.8 | Very low | 133 Ų | 133 | 112.6 Ų | 112.6 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 118.3 | -170.8 | 31.8 | -33.4 | 0 | 0 | 0 | 112.9 | ||
| 156 | S | 37.9 | Very low | 43.5 | Very low | 110 Ų | 110 | 110.5 Ų | 110.5 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 140.5 | 164.9 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | R158 | S156-R158 PolarHBondContact O-N 3.08Š|
| 157 | P | 44.5 | Very low | 44.8 | Very low | 125 Ų | 125 | 110.4 Ų | 110.4 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 122.5 | 171.7 | 28.7 | -32.7 | 0 | 0 | 0 | 109.3 | G159 | P157-G159 PolarHBondContact O-N 3.03Š|
| 158 | R | 46.9 | Very low | 45.9 | Very low | 233 Ų | 233 | 106.9 Ų | 106.9 | 88% | 0.879 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 123.3 | 170.4 | -77.1 | -176.9 | 170.1 | -162 | -3.4 | 109 | S156 | S156-R158 PolarHBondContact O-N 3.08Š|
| 159 | G | 49.9 | Very low | 47.2 | Very low | 55 Ų | 55 | 108.2 Ų | 108.2 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58 | 160.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P157 T161 | P157-G159 PolarHBondContact O-N 3.03Å; G159-T161 PolarHBondContact O-N 3.27Å |
| 160 | P | 41.2 | Very low | 48 | Very low | 106 Ų | 106 | 103 Ų | 103 | 69% | 0.688 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 132.2 | -177.8 | 24.9 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 161 | T | 42.9 | Very low | 48.7 | Very low | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.521 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 152.1 | 175.4 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | G159 M163 S164 A165 | G159-T161 PolarHBondContact O-N 3.27Å; T161-M163 PolarHBondContact O-N 3.06Å; T161-M163 VanDerWaalsContact O-N 3.1Å; T161-S164 WeakPolarHBondContact O-CA 3.4Å; T161-S164 WeakPolarHBondContact O-CB 3.37Å; T161-S164 PolarHBondContact O-N 3.02Å; T161-A165 PolarHBondContact O-N 2.84Å |
| 162 | P | 52.5 | Low | 50.6 | Low | 113 Ų | 113 | 102.7 Ų | 102.7 | 73% | 0.734 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -56.6 | -32.6 | -174 | 16.9 | -30.4 | 0 | 0 | 0 | 114 | S164 A165 A166 | P162-S164 VanDerWaalsContact C-N 3.3Å; P162-S164 PolarHBondContact O-N 2.94Å; P162-A165 PolarHBondContact O-N 3.41Å; P162-A166 WeakPolarHBondContact O-CB 3.29Å; P162-A166 PolarHBondContact O-N 3.34Å |
| 163 | M | 44.9 | Very low | 52.1 | Low | 155 Ų | 155 | 97.2 Ų | 97.2 | 76% | 0.764 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64 | -31.3 | 173.4 | -68.4 | -171.1 | 76.5 | 0 | 0 | 113.9 | T161 R167 | T161-M163 PolarHBondContact O-N 3.06Å; T161-M163 VanDerWaalsContact O-N 3.1Å; M163-R167 PolarHBondContact O-N 2.86Å |
| 164 | S | 50.4 | Low | 54.1 | Low | 65 Ų | 65 | 94 Ų | 94 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.9 | -40.7 | 177.8 | -164.6 | 0 | 0 | 0 | 0 | 111.1 | T161 P162 R167 A168 | T161-S164 WeakPolarHBondContact O-CA 3.4Å; T161-S164 WeakPolarHBondContact O-CB 3.37Å; T161-S164 PolarHBondContact O-N 3.02Å; P162-S164 VanDerWaalsContact C-N 3.3Å; P162-S164 PolarHBondContact O-N 2.94Å; S164-R167 PolarHBondContact O-N 3.04Å; S164-A168 WeakPolarHBondContact O-CB 3.42Å; S164-A168 PolarHBondContact O-N 3.21Å |
| 165 | A | 49.2 | Very low | 56.1 | Low | 45 Ų | 45 | 93.1 Ų | 93.1 | 37% | 0.372 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T161 P162 R167 A168 L169 | T161-A165 PolarHBondContact O-N 2.84Å; P162-A165 PolarHBondContact O-N 3.41Å; A165-R167 PolarHBondContact O-N 3.04Å; A165-A168 PolarHBondContact O-N 3.13Å; A165-L169 WeakPolarHBondContact O-CG 3.34Å; A165-L169 PolarHBondContact O-N 3.4Å |
| 166 | A | 53.1 | Low | 57.6 | Low | 62 Ų | 62 | 87.5 Ų | 87.5 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P162 L169 G170 | P162-A166 WeakPolarHBondContact O-CB 3.29Å; P162-A166 PolarHBondContact O-N 3.34Å; A166-L169 PolarHBondContact O-N 3.03Å; A166-G170 PolarHBondContact O-N 3.23Å |
| 167 | R | 57.2 | Low | 59.5 | Low | 160 Ų | 160 | 82.3 Ų | 82.3 | 60% | 0.604 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 171.8 | -88.2 | -179.1 | 70 | 167.9 | -0.2 | 112.3 | M163 S164 A165 L169 G170 H171 | M163-R167 PolarHBondContact O-N 2.86Å; S164-R167 PolarHBondContact O-N 3.04Å; A165-R167 PolarHBondContact O-N 3.04Å; R167-L169 PolarHBondContact O-N 3.09Å; R167-G170 PolarHBondContact O-N 2.73Å; R167-H171 WeakPolarHBondContact O-CB 3.29Å; R167-H171 PolarHBondContact O-CD2 3.1Å; R167-H171 PolarHBondContact O-N 2.93Å |
| 168 | A | 57.7 | Low | 61.2 | Low | 61 Ų | 61 | 79 Ų | 79 | 50% | 0.504 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S164 A165 H171 H172 | S164-A168 WeakPolarHBondContact O-CB 3.42Å; S164-A168 PolarHBondContact O-N 3.21Å; A165-A168 PolarHBondContact O-N 3.13Å; A168-H171 PolarHBondContact O-N 3.44Å; A168-H172 PolarHBondContact O-N 3.31Å |
| 169 | L | 61.3 | Low | 62.6 | Low | 114 Ų | 114 | 71.7 Ų | 71.7 | 60% | 0.597 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 173.9 | -72.5 | 164.3 | 0 | 0 | 0 | 111.8 | A165 A166 R167 H172 F173 Q348 | A165-L169 WeakPolarHBondContact O-CG 3.34Å; A165-L169 PolarHBondContact O-N 3.4Å; A166-L169 PolarHBondContact O-N 3.03Å; R167-L169 PolarHBondContact O-N 3.09Å; L169-H172 PolarHBondContact O-N 2.9Å; L169-F173 WeakPolarHBondContact O-CB 3.47Å; L169-F173 PolarHBondContact O-N 3.18Å; L169-Q348 PolarHBondContact O-NE2 3.22Å |
| 170 | G | 62.8 | Low | 63.5 | Low | 11 Ų | 11 | 69.2 Ų | 69.2 | 11% | 0.113 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A166 R167 H172 F173 M174 M352 | A166-G170 PolarHBondContact O-N 3.23Å; R167-G170 PolarHBondContact O-N 2.73Å; G170-H172 PolarHBondContact O-N 3.27Å; G170-F173 PolarHBondContact O-N 3.06Å; G170-M174 WeakPolarHBondContact O-CB 3.3Å; G170-M174 PolarHBondContact O-N 3.48Å; G170-M352 VanDerWaalsContact O-SD 3.33Å |
| 171 | H | 68.9 | Low | 65 | Low | 104 Ų | 104 | 64.7 Ų | 64.7 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 175.9 | -75.4 | -61.3 | 0 | 0 | 0 | 112.4 | R167 A168 A175 | R167-H171 WeakPolarHBondContact O-CB 3.29Å; R167-H171 PolarHBondContact O-CD2 3.1Å; R167-H171 PolarHBondContact O-N 2.93Å; A168-H171 PolarHBondContact O-N 3.44Å; H171-A175 VanDerWaalsContact O-CB 3.3Å; H171-A175 WeakPolarHBondContact O-CB 3.47Å; H171-A175 PolarHBondContact O-N 2.89Å |
| 172 | H | 75.4 | Confident | 66.3 | Low | 126 Ų | 126 | 65.1 Ų | 65.1 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.8 | -41.1 | 175.5 | -174.2 | -84 | 0 | 0 | 0 | 112.3 | A168 L169 G170 A175 S176 | A168-H172 PolarHBondContact O-N 3.31Å; L169-H172 PolarHBondContact O-N 2.9Å; G170-H172 PolarHBondContact O-N 3.27Å; H172-A175 PolarHBondContact O-N 3.34Å; H172-S176 WeakPolarHBondContact O-CB 3.24Å; H172-S176 PolarHBondContact O-N 3.17Å; H172-S176 PolarHBondContact O-OG 2.95Å |
| 173 | F | 79.5 | Confident | 66.7 | Low | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.009 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 177 | -178.7 | -138.3 | 0 | 0 | 0 | 111.5 | L169 G170 A175 S176 L177 V240 A325 F329 Q348 S349 M352 | L169-F173 WeakPolarHBondContact O-CB 3.47Å; L169-F173 PolarHBondContact O-N 3.18Å; G170-F173 PolarHBondContact O-N 3.06Å; F173-A175 PolarHBondContact O-N 3.31Å; F173-S176 WeakPolarHBondContact O-CA 3.39Å; F173-S176 VanDerWaalsContact O-CB 3.3Å; F173-S176 WeakPolarHBondContact O-CB 3.46Å; F173-S176 PolarHBondContact O-N 3.26Å; F173-L177 HydrophobicContact CD2-CD2 4.45Å; F173-L177 HydrophobicContact CD2-CG 4.39Å; F173-L177 HydrophobicContact CE2-CD2 3.75Å; F173-L177 HydrophobicContact CE2-CG 4.08Å; F173-L177 HydrophobicContact CZ-CD1 4.38Å; F173-L177 HydrophobicContact CZ-CD2 4.08Å; F173-L177 HydrophobicContact CZ-CG 4.37Å; F173-L177 PolarHBondContact O-N 3.45Å; F173-V240 HydrophobicContact CD2-CG1 4.25Å; F173-V240 HydrophobicContact CD2-CG2 3.92Å; F173-V240 HydrophobicContact CE2-CG2 3.51Å; F173-V240 HydrophobicContact CZ-CG2 4.47Å; F173-A325 HydrophobicContact CZ-CB 4.47Å; F173-F329 HydrophobicContact CE2-CE2 4.44Å; F173-F329 HydrophobicContact CZ-CE2 4.03Å; F173-Q348 HydrophobicContact CD1-CB 3.94Å; F173-Q348 HydrophobicContact CD1-CG 3.59Å; F173-Q348 HydrophobicContact CE1-CB 3.94Å; F173-Q348 HydrophobicContact CE1-CG 4.12Å; F173-S349 WeakPolarHBondContact CE1-OG 3.44Å; F173-M352 HydrophobicContact CB-SD 4.07Å; F173-M352 HydrophobicContact CD1-CE 3.11Å; F173-M352 HydrophobicContact CD1-SD 3.49Å; F173-M352 WeakPolarHBondContact CD1-SD 3.26Å; F173-M352 HydrophobicContact CE1-CE 3.26Å; F173-M352 HydrophobicContact CE1-SD 4.25Å; F173-M352 HydrophobicContact CG-CE 3.92Å; F173-M352 HydrophobicContact CG-SD 4.06Å; F173-M352 HydrophobicContact CZ-CE 4.13Å |
| 174 | M | 80.3 | Confident | 67.3 | Low | 40 Ų | 40 | 55.6 Ų | 55.6 | 20% | 0.197 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 173.9 | -170.2 | 175.7 | -78.6 | 0 | 0 | 111.8 | G170 S176 L177 I178 T318 M352 H356 | G170-M174 WeakPolarHBondContact O-CB 3.3Å; G170-M174 PolarHBondContact O-N 3.48Å; M174-S176 PolarHBondContact O-N 3.11Å; M174-L177 PolarHBondContact O-N 3.42Å; M174-I178 WeakPolarHBondContact O-CG1 3.49Å; M174-I178 PolarHBondContact O-N 2.96Å; M174-T318 HydrophobicContact CG-CG2 4.47Å; M174-T318 HydrophobicContact SD-CG2 4.38Å; M174-M352 HydrophobicContact CB-SD 3.57Å; M174-M352 VanDerWaalsContact CB-SD 3.57Å; M174-M352 HydrophobicContact CE-CB 3.79Å; M174-M352 HydrophobicContact CE-CG 4.04Å; M174-M352 HydrophobicContact CE-SD 4.31Å; M174-M352 HydrophobicContact CG-SD 4.41Å; M174-M352 PolarHBondContact N-SD 2.76Å; M174-H356 HydrophobicContact CE-CB 4.27Å |
| 175 | A | 76.1 | Confident | 67.8 | Low | 51 Ų | 51 | 57.8 Ų | 57.8 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -35 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H171 H172 F173 T179 | H171-A175 VanDerWaalsContact O-CB 3.3Å; H171-A175 WeakPolarHBondContact O-CB 3.47Å; H171-A175 PolarHBondContact O-N 2.89Å; H172-A175 PolarHBondContact O-N 3.34Å; F173-A175 PolarHBondContact O-N 3.31Å; A175-T179 VanDerWaalsContact O-CB 3.24Å; A175-T179 WeakPolarHBondContact O-CB 3.45Å; A175-T179 PolarHBondContact O-N 2.83Å; A175-T179 PolarHBondContact O-OG1 3.46Å |
| 176 | S | 76.8 | Confident | 67.8 | Low | 14 Ų | 14 | 58 Ų | 58 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 174.9 | -57 | 0 | 0 | 0 | 0 | 111.8 | H172 F173 M174 T179 A180 | H172-S176 WeakPolarHBondContact O-CB 3.24Å; H172-S176 PolarHBondContact O-N 3.17Å; H172-S176 PolarHBondContact O-OG 2.95Å; F173-S176 WeakPolarHBondContact O-CA 3.39Å; F173-S176 VanDerWaalsContact O-CB 3.3Å; F173-S176 WeakPolarHBondContact O-CB 3.46Å; F173-S176 PolarHBondContact O-N 3.26Å; M174-S176 PolarHBondContact O-N 3.11Å; S176-T179 PolarHBondContact O-N 3.18Å; S176-A180 WeakPolarHBondContact O-CB 3.35Å; S176-A180 PolarHBondContact O-N 3.23Å |
| 177 | L | 78.3 | Confident | 67.1 | Low | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 176 | -65.5 | -172.9 | 0 | 0 | 0 | 111.8 | F173 M174 A180 E181 W234 L238 A321 A325 M352 | F173-L177 HydrophobicContact CD2-CD2 4.45Å; F173-L177 HydrophobicContact CD2-CG 4.39Å; F173-L177 HydrophobicContact CE2-CD2 3.75Å; F173-L177 HydrophobicContact CE2-CG 4.08Å; F173-L177 HydrophobicContact CZ-CD1 4.38Å; F173-L177 HydrophobicContact CZ-CD2 4.08Å; F173-L177 HydrophobicContact CZ-CG 4.37Å; F173-L177 PolarHBondContact O-N 3.45Å; M174-L177 PolarHBondContact O-N 3.42Å; L177-A180 PolarHBondContact O-N 3.42Å; L177-E181 WeakPolarHBondContact O-CB 3.41Å; L177-E181 PolarHBondContact O-N 3.49Å; L177-W234 HydrophobicContact CD2-CH2 4.45Å; L177-W234 HydrophobicContact CD2-CZ2 3.97Å; L177-L238 HydrophobicContact CD2-CD1 4.09Å; L177-L238 HydrophobicContact CD2-CD2 3.75Å; L177-A321 HydrophobicContact CB-CB 4.11Å; L177-A325 HydrophobicContact CD1-CB 4.15Å; L177-A325 HydrophobicContact CD2-CB 4.01Å; L177-M352 HydrophobicContact CD1-CE 3.38Å; L177-M352 HydrophobicContact CG-CE 4.27Å |
| 178 | I | 79.4 | Confident | 66 | Low | 56 Ų | 56 | 54.5 Ų | 54.5 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 178.9 | -61.5 | -59.6 | 0 | 0 | 0 | 111.8 | M174 E181 T182 T318 A321 | M174-I178 WeakPolarHBondContact O-CG1 3.49Å; M174-I178 PolarHBondContact O-N 2.96Å; I178-E181 WeakPolarHBondContact O-CB 3.28Å; I178-E181 PolarHBondContact O-N 2.98Å; I178-T182 PolarHBondContact O-N 3.31Å; I178-T182 PolarHBondContact O-OG1 2.94Å; I178-T318 HydrophobicContact CD1-CG2 4.13Å; I178-A321 HydrophobicContact CD1-CB 4.25Å |
| 179 | T | 76.6 | Confident | 65 | Low | 80 Ų | 80 | 58.3 Ų | 58.3 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 174.8 | -58.5 | 0 | 0 | 0 | 0 | 110.1 | A175 S176 E181 T182 C183 | A175-T179 VanDerWaalsContact O-CB 3.24Å; A175-T179 WeakPolarHBondContact O-CB 3.45Å; A175-T179 PolarHBondContact O-N 2.83Å; A175-T179 PolarHBondContact O-OG1 3.46Å; S176-T179 PolarHBondContact O-N 3.18Å; T179-E181 VanDerWaalsContact C-N 3.3Å; T179-E181 PolarHBondContact O-N 2.99Å; T179-T182 PolarHBondContact O-N 3.29Å; T179-T182 VanDerWaalsContact O-N 3.15Å; T179-T182 PolarHBondContact O-OG1 2.85Å; T179-C183 PolarHBondContact O-N 2.94Å; T179-C183 PolarHBondContact O-SG 2.9Å; T179-C183 VanDerWaalsContact O-SG 3.36Å |
| 180 | A | 68.1 | Low | 63.5 | Low | 2 Ų | 2 | 57.3 Ų | 57.3 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S176 L177 T182 C183 A184 W234 L238 | S176-A180 WeakPolarHBondContact O-CB 3.35Å; S176-A180 PolarHBondContact O-N 3.23Å; L177-A180 PolarHBondContact O-N 3.42Å; A180-T182 PolarHBondContact O-N 3.26Å; A180-C183 PolarHBondContact O-N 3.12Å; A180-A184 WeakPolarHBondContact O-CB 3.32Å; A180-A184 PolarHBondContact O-N 3.4Å; A180-W234 VanDerWaalsContact C-CD1 3.46Å; A180-W234 HydrophobicContact CB-CG 4.26Å; A180-L238 HydrophobicContact CB-CD2 3.57Å; A180-L238 HydrophobicContact CB-CG 4.24Å |
| 181 | E | 73.8 | Confident | 62.4 | Low | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 174.8 | -165.5 | 63 | -141.6 | 0 | 0 | 111.7 | L177 I178 T179 A184 K185 Q267 K324 | L177-E181 WeakPolarHBondContact O-CB 3.41Å; L177-E181 PolarHBondContact O-N 3.49Å; I178-E181 WeakPolarHBondContact O-CB 3.28Å; I178-E181 PolarHBondContact O-N 2.98Å; T179-E181 VanDerWaalsContact C-N 3.3Å; T179-E181 PolarHBondContact O-N 2.99Å; E181-A184 PolarHBondContact O-N 2.97Å; E181-K185 PolarHBondContact O-N 3.14Å; E181-Q267 PolarHBondContact OE1-NE2 2.81Å; E181-Q267 PolarHBondContact OE1-OE1 3Å; E181-K324 IonicContact OE1-NZ 3.01Å; E181-K324 PolarHBondContact OE1-NZ 3.44Å; E181-K324 IonicContact OE2-NZ 3.42Å; E181-K324 PolarHBondContact OE2-NZ 2.89Å |
| 182 | T | 69.6 | Low | 61.3 | Low | 94 Ų | 94 | 63.5 Ų | 63.5 | 58% | 0.577 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.8 | -31.6 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | I178 T179 A180 A184 | I178-T182 PolarHBondContact O-N 3.31Å; I178-T182 PolarHBondContact O-OG1 2.94Å; T179-T182 PolarHBondContact O-N 3.29Å; T179-T182 VanDerWaalsContact O-N 3.15Å; T179-T182 PolarHBondContact O-OG1 2.85Å; A180-T182 PolarHBondContact O-N 3.26Å; T182-A184 VanDerWaalsContact C-N 3.32Å |
| 183 | C | 60.4 | Low | 59.7 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -75.8 | -20.1 | 173.5 | -66.9 | 0 | 0 | 0 | 0 | 113.6 | T179 A180 K233 | T179-C183 PolarHBondContact O-N 2.94Å; T179-C183 PolarHBondContact O-SG 2.9Å; T179-C183 VanDerWaalsContact O-SG 3.36Å; A180-C183 PolarHBondContact O-N 3.12Å; C183-K233 PolarHBondContact O-NZ 3.2Å |
| 184 | A | 59 | Low | 57.6 | Low | 7 Ų | 7 | 69.2 Ų | 69.2 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -90 | -30.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A180 E181 T182 L186 M230 W234 | A180-A184 WeakPolarHBondContact O-CB 3.32Å; A180-A184 PolarHBondContact O-N 3.4Å; E181-A184 PolarHBondContact O-N 2.97Å; T182-A184 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 3.5Å; A184-M230 HydrophobicContact CB-CB 4.33Å; A184-M230 VanDerWaalsContact O-CE 3.23Å; A184-M230 WeakPolarHBondContact O-CE 3.31Å; A184-M230 WeakPolarHBondContact O-CG 3.46Å; A184-W234 HydrophobicContact CB-CB 3.91Å |
| 185 | K | 60.5 | Low | 55.9 | Low | 110 Ų | 110 | 72 Ų | 72 | 48% | 0.478 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -46.1 | 135.9 | -177.4 | -176.5 | 168.3 | -175.2 | 174.6 | 0 | 113.3 | E181 E187 W268 | E181-K185 PolarHBondContact O-N 3.14Å; K185-E187 PolarHBondContact O-N 2.9Å; K185-W268 HydrophobicContact CB-CH2 4.25Å; K185-W268 HydrophobicContact CB-CZ2 4.21Å; K185-W268 HydrophobicContact CD-CH2 3.59Å; K185-W268 HydrophobicContact CD-CZ2 4.39Å; K185-W268 HydrophobicContact CD-CZ3 4.15Å; K185-W268 HydrophobicContact CG-CH2 3.58Å; K185-W268 HydrophobicContact CG-CZ2 3.98Å; K185-W268 HydrophobicContact CG-CZ3 4.14Å |
| 186 | L | 48.2 | Very low | 54.3 | Low | 49 Ų | 49 | 74.1 Ų | 74.1 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 122.8 | 168.7 | -66.3 | 166.7 | 0 | 0 | 0 | 109 | A184 R226 M230 | A184-L186 PolarHBondContact O-N 3.5Å; L186-R226 HydrophobicContact CD2-CB 3.96Å; L186-M230 HydrophobicContact CD1-SD 4.07Å; L186-M230 HydrophobicContact CD2-CE 4.46Å; L186-M230 HydrophobicContact CD2-CG 4.4Å; L186-M230 HydrophobicContact CD2-SD 3.42Å; L186-M230 WeakPolarHBondContact CD2-SD 3.36Å; L186-M230 HydrophobicContact CG-CE 3.84Å; L186-M230 HydrophobicContact CG-SD 3.4Å; L186-M230 WeakPolarHBondContact CG-SD 3.41Å |
| 187 | E | 38.5 | Very low | 52.5 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 39% | 0.393 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 126.7 | 148.4 | -66 | -66.2 | 117.2 | 0 | 0 | 106.1 | R82 K185 E189 | R82-E187 IonicContact CZ-OE1 3.81Å; R82-E187 IonicContact CZ-OE2 3.27Å; R82-E187 IonicContact NH1-OE1 3.22Å; R82-E187 PolarHBondContact NH1-OE1 3.07Å; R82-E187 IonicContact NH2-OE1 2.76Å; R82-E187 PolarHBondContact NH2-OE1 3.38Å; R82-E187 IonicContact NH2-OE2 2.8Å; R82-E187 PolarHBondContact NH2-OE2 2.92Å; K185-E187 PolarHBondContact O-N 2.9Å; E187-E189 PolarHBondContact O-N 3.3Å |
| 188 | P | 35.5 | Very low | 50.7 | Low | 65 Ų | 65 | 82.8 Ų | 82.8 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 137.8 | 167.1 | -19.9 | 32.1 | 0 | 0 | 0 | 108.6 | D190 | P188-D190 PolarHBondContact O-N 3.14Š|
| 189 | E | 36.1 | Very low | 48.7 | Very low | 142 Ų | 142 | 84.5 Ų | 84.5 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | trans | -73.1 | 70.4 | 159.8 | -72.6 | 174.6 | 100.2 | 0 | 0 | 108.1 | E187 A191 R226 | E187-E189 PolarHBondContact O-N 3.3Å; E189-A191 PolarHBondContact O-N 3.25Å; E189-R226 IonicContact OE1-NH2 2.71Å; E189-R226 IonicContact OE2-CZ 3.97Å; E189-R226 VanDerWaalsContact OE2-CZ 3.27Å; E189-R226 IonicContact OE2-NE 3.17Å; E189-R226 PolarHBondContact OE2-NE 3.31Å; E189-R226 IonicContact OE2-NH2 3.96Å; E189-R226 PolarHBondContact OE2-NH2 2.94Å | ||
| 190 | D | 30.1 | Very low | 46.8 | Very low | 93 Ų | 93 | 88.3 Ų | 88.3 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | trans | -64.8 | 82.4 | 154.2 | -69.9 | -41.4 | 0 | 0 | 0 | 105.8 | P188 D192 N194 | P188-D190 PolarHBondContact O-N 3.14Å; D190-D192 CarbonylContact C-O 3.56Å; D190-D192 WeakPolarHBondContact CB-O 3.4Å; D190-D192 PolarHBondContact O-N 2.77Å; D190-N194 PolarHBondContact O-ND2 3.17Å | ||
| 191 | A | 39.2 | Very low | 45.3 | Very low | 97 Ų | 97 | 95.2 Ų | 95.2 | 80% | 0.802 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E189 | E189-A191 PolarHBondContact O-N 3.25Š|
| 192 | D | 46.6 | Very low | 43.5 | Very low | 147 Ų | 147 | 99.4 Ų | 99.4 | 79% | 0.786 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 141 | 156.6 | -96.3 | -48.2 | 0 | 0 | 0 | 108.7 | D190 | D190-D192 CarbonylContact C-O 3.56Å; D190-D192 WeakPolarHBondContact CB-O 3.4Å; D190-D192 PolarHBondContact O-N 2.77Å |
| 193 | E | 41 | Very low | 41.7 | Very low | 144 Ų | 144 | 104.4 Ų | 104.4 | 67% | 0.673 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.6 | -12.5 | -175 | -56.5 | -148.1 | 121.4 | 0 | 0 | 119.2 | I195 | E193-I195 PolarHBondContact O-N 3.31Š|
| 194 | N | 35.8 | Very low | 40.4 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | trans | -76.9 | 103.3 | 161.3 | -87.9 | -38.8 | 0 | 0 | 0 | 110.7 | D190 D196 | D190-N194 PolarHBondContact O-ND2 3.17Å; N194-D196 PolarHBondContact O-N 3.06Å | ||
| 195 | I | 44.3 | Very low | 39.3 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | trans | -78 | 89.1 | 179 | -140.7 | 165.7 | 0 | 0 | 0 | 110.2 | K106 E193 V197 | K106-I195 HydrophobicContact CD-CD1 4.47Å; K106-I195 HydrophobicContact CG-CG2 4.49Å; E193-I195 PolarHBondContact O-N 3.31Å; I195-V197 HydrophobicContact CG2-CG2 4.21Å; I195-V197 WeakPolarHBondContact O-CG2 3.47Å | ||
| 196 | D | 42.1 | Very low | 37.9 | Very low | 96 Ų | 96 | 116.6 Ų | 116.6 | 51% | 0.513 | 65% | 0.648 | S | S | . | * | trans | -65 | 134.2 | 161.7 | 176.1 | 24.5 | 0 | 0 | 0 | 108.6 | N194 T198 S199 | N194-D196 PolarHBondContact O-N 3.06Å; D196-T198 PolarHBondContact OD1-N 3.38Å; D196-T198 PolarHBondContact OD1-OG1 3.15Å; D196-T198 PolarHBondContact OD2-OG1 3.46Å; D196-S199 PolarHBondContact OD2-OG 3.01Å | ||
| 197 | V | 40.2 | Very low | 37 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | trans | -120.2 | 23.7 | -175.9 | -154.9 | 0 | 0 | 0 | 0 | 110.7 | L109 I195 | L109-V197 HydrophobicContact CD1-CG2 4.41Å; I195-V197 HydrophobicContact CG2-CG2 4.21Å; I195-V197 WeakPolarHBondContact O-CG2 3.47Å | ||
| 198 | T | 40.4 | Very low | 36.9 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -119.3 | -13.4 | -177.3 | 62.2 | 0 | 0 | 0 | 0 | 115.5 | D196 | D196-T198 PolarHBondContact OD1-N 3.38Å; D196-T198 PolarHBondContact OD1-OG1 3.15Å; D196-T198 PolarHBondContact OD2-OG1 3.46Å |
| 199 | S | 37.6 | Very low | 36.9 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -94.4 | 120.3 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | D196 | D196-S199 PolarHBondContact OD2-OG 3.01Š| ||
| 200 | N | 36.3 | Very low | 36.7 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | trans | -120.6 | 63.5 | -177.6 | -170.3 | 93 | 0 | 0 | 0 | 110.2 | ||||
| 201 | D | 36.4 | Very low | 36.7 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -108.9 | 143.4 | 175.3 | -82.1 | -58.5 | 0 | 0 | 0 | 111.2 | ||||
| 202 | P | 35.5 | Very low | 36.7 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 128.6 | -177.3 | 30.5 | -33.6 | 0 | 0 | 0 | 112.3 | F204 | P202-F204 PolarHBondContact O-N 3.1Š|
| 203 | E | 31.1 | Very low | 35.9 | Very low | 199 Ų | 199 | 126.5 Ų | 126.5 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 122 | 176.1 | -64.1 | 174.5 | 109.4 | 0 | 0 | 111.9 | ||
| 204 | F | 33.5 | Very low | 35.8 | Very low | 186 Ų | 186 | 125.6 Ų | 125.6 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 137.6 | 162.4 | -88.9 | -90.3 | 0 | 0 | 0 | 109.6 | P202 S206 | P202-F204 PolarHBondContact O-N 3.1Å; F204-S206 PolarHBondContact O-N 2.82Å |
| 205 | P | 35.5 | Very low | 36.1 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 128.4 | -173.7 | 26.9 | -33.3 | 0 | 0 | 0 | 112 | ||
| 206 | S | 31.2 | Very low | 36.4 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 130.6 | -176.7 | 24.1 | 0 | 0 | 0 | 0 | 112.9 | F204 | F204-S206 PolarHBondContact O-N 2.82Š|
| 207 | S | 29.1 | Very low | 36.7 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -82 | 134.3 | 173.3 | -178 | 0 | 0 | 0 | 0 | 111 | Y209 | S207-Y209 VanDerWaalsContact C-N 3.3Å; S207-Y209 PolarHBondContact O-N 3.48Å |
| 208 | P | 37.4 | Very low | 37.3 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -87.2 | 48.6 | -168.7 | 37 | -39 | 0 | 0 | 0 | 114.1 | ||
| 209 | Y | 36.1 | Very low | 38.8 | Very low | 212 Ų | 212 | 120.1 Ų | 120.1 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | trans | -149.7 | 98.4 | 170.4 | -89.3 | -78.4 | 0 | 0 | 0 | 111.9 | S207 | S207-Y209 VanDerWaalsContact C-N 3.3Å; S207-Y209 PolarHBondContact O-N 3.48Å | ||
| 210 | S | 30.8 | Very low | 40.7 | Very low | 120 Ų | 120 | 116 Ų | 116 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | trans | -157.9 | 96.7 | 155.5 | -82.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 211 | S | 30.3 | Very low | 43 | Very low | 106 Ų | 106 | 108.8 Ų | 108.8 | 74% | 0.741 | 65% | 0.649 | S | S | * | * | trans | 5.1 | 126 | 150.5 | 50.5 | 0 | 0 | 0 | 0 | 119.8 | S213 | S211-S213 PolarHBondContact O-N 3.34Š| ||
| 212 | S | 38.7 | Very low | 45.3 | Very low | 120 Ų | 120 | 106.2 Ų | 106.2 | 84% | 0.839 | 63% | 0.632 | S | S | * | * | trans | -17 | 111.7 | 153.6 | 54.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 213 | S | 31.7 | Very low | 47.6 | Very low | 107 Ų | 107 | 102.9 Ų | 102.9 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | trans | -79.6 | 144.5 | 160 | -72.6 | 0 | 0 | 0 | 0 | 111 | S211 C215 | S211-S213 PolarHBondContact O-N 3.34Å; S213-C215 VanDerWaalsContact C-N 3.35Å; S213-C215 PolarHBondContact O-N 3.13Å | ||
| 214 | P | 38.9 | Very low | 50.3 | Low | 125 Ų | 125 | 93.4 Ų | 93.4 | 81% | 0.812 | 57% | 0.566 | S | S | * | * | trans | -76.1 | 82.3 | 179.6 | 31.7 | -34.9 | 0 | 0 | 0 | 111.3 | G216 | P214-G216 PolarHBondContact O-N 3.4Š| ||
| 215 | C | 41.5 | Very low | 53 | Low | 124 Ų | 124 | 86.2 Ų | 86.2 | 84% | 0.838 | 54% | 0.541 | S | S | * | . | trans | -62.7 | 116.7 | 171.3 | -172 | 0 | 0 | 0 | 0 | 110 | S213 | S213-C215 VanDerWaalsContact C-N 3.35Å; S213-C215 PolarHBondContact O-N 3.13Å | ||
| 216 | G | 50.9 | Low | 55.5 | Low | 26 Ų | 26 | 83.6 Ų | 83.6 | 27% | 0.268 | 52% | 0.515 | S | S | . | . | S | Bend | trans | 173.4 | -66.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P214 I220 | P214-G216 PolarHBondContact O-N 3.4Å; G216-I220 VanDerWaalsContact O-CD1 3.3Å; G216-I220 WeakPolarHBondContact O-CD1 3.33Å; G216-I220 VanDerWaalsContact O-CG1 3.26Å; G216-I220 WeakPolarHBondContact O-CG1 3.37Å; G216-I220 PolarHBondContact O-N 3.28Å |
| 217 | L | 48.5 | Very low | 58.3 | Low | 55 Ų | 55 | 78.1 Ų | 78.1 | 29% | 0.288 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -87.4 | -47.7 | -162.3 | -163.7 | 63.6 | 0 | 0 | 0 | 114.2 | S219 I220 H221 P276 K393 | L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 2.79Å; L217-I220 PolarHBondContact O-N 2.94Å; L217-H221 PolarHBondContact O-CD2 3.44Å; L217-H221 VanDerWaalsContact O-CD2 3.26Å; L217-H221 PolarHBondContact O-N 2.69Å; L217-P276 HydrophobicContact CD1-CG 4.26Å; L217-K393 VanDerWaalsContact CD2-NZ 3.33Å |
| 218 | D | 52.2 | Low | 61.4 | Low | 124 Ų | 124 | 73.2 Ų | 73.2 | 66% | 0.663 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.3 | -36.8 | 179.1 | -57.8 | -48.8 | 0 | 0 | 0 | 110.8 | I220 H221 E222 | D218-I220 VanDerWaalsContact C-N 3.31Å; D218-I220 PolarHBondContact O-N 3.13Å; D218-H221 PolarHBondContact O-N 2.77Å; D218-E222 VanDerWaalsContact O-CB 3.32Å; D218-E222 WeakPolarHBondContact O-CB 3.44Å; D218-E222 PolarHBondContact O-N 2.77Å |
| 219 | S | 70.9 | Confident | 63.9 | Low | 52 Ų | 52 | 72.4 Ų | 72.4 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56 | -38.6 | 170.9 | 178.4 | 0 | 0 | 0 | 0 | 113.2 | L217 T223 | L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 2.79Å; S219-T223 WeakPolarHBondContact O-CB 3.23Å; S219-T223 PolarHBondContact O-N 3.23Å; S219-T223 PolarHBondContact O-OG1 3.05Å |
| 220 | I | 79.3 | Confident | 66.4 | Low | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.5 | -44.6 | 177 | -71.4 | 163.9 | 0 | 0 | 0 | 111.1 | G216 L217 D218 S224 C275 F390 | G216-I220 VanDerWaalsContact O-CD1 3.3Å; G216-I220 WeakPolarHBondContact O-CD1 3.33Å; G216-I220 VanDerWaalsContact O-CG1 3.26Å; G216-I220 WeakPolarHBondContact O-CG1 3.37Å; G216-I220 PolarHBondContact O-N 3.28Å; L217-I220 PolarHBondContact O-N 2.94Å; D218-I220 VanDerWaalsContact C-N 3.31Å; D218-I220 PolarHBondContact O-N 3.13Å; I220-S224 VanDerWaalsContact O-CB 3.27Å; I220-S224 WeakPolarHBondContact O-CB 3.13Å; I220-S224 PolarHBondContact O-N 2.82Å; I220-S224 PolarHBondContact O-OG 2.97Å; I220-C275 HydrophobicContact CD1-CB 3.79Å; I220-F390 HydrophobicContact CG2-CD1 4.33Å; I220-F390 HydrophobicContact CG2-CE1 4.46Å |
| 221 | H | 83.5 | Confident | 69.4 | Low | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 179.8 | -73.9 | -59.5 | 0 | 0 | 0 | 111.9 | L217 D218 S224 A225 L389 F390 K393 | L217-H221 PolarHBondContact O-CD2 3.44Å; L217-H221 VanDerWaalsContact O-CD2 3.26Å; L217-H221 PolarHBondContact O-N 2.69Å; D218-H221 PolarHBondContact O-N 2.77Å; H221-S224 PolarHBondContact O-N 3.37Å; H221-A225 PolarHBondContact O-N 3.27Å; H221-A225 VanDerWaalsContact O-N 3.1Å; H221-L389 PolarHBondContact CE1-O 3.22Å; H221-F390 PolarHBondContact ND1-O 2.83Å; H221-K393 WeakPolarHBondContact NE2-CD 3.49Å; H221-K393 WeakPolarHBondContact NE2-CE 3.29Å; H221-K393 PolarHBondContact NE2-NZ 2.94Å |
| 222 | E | 84.3 | Confident | 72.4 | Confident | 94 Ų | 94 | 53 Ų | 53 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.2 | -48.6 | 175.9 | -162.4 | -173.6 | 169.7 | 0 | 0 | 111.7 | D218 S224 A225 R226 | D218-E222 VanDerWaalsContact O-CB 3.32Å; D218-E222 WeakPolarHBondContact O-CB 3.44Å; D218-E222 PolarHBondContact O-N 2.77Å; E222-S224 PolarHBondContact O-N 3.46Å; E222-A225 WeakPolarHBondContact O-CB 3.33Å; E222-A225 PolarHBondContact O-N 3.22Å; E222-A225 VanDerWaalsContact O-N 3.14Å; E222-R226 VanDerWaalsContact CD-NH1 3.34Å; E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 3.4Å; E222-R226 IonicContact OE1-CZ 2.82Å; E222-R226 IonicContact OE1-NH1 2.74Å; E222-R226 PolarHBondContact OE1-NH1 3.25Å; E222-R226 IonicContact OE1-NH2 3.78Å; E222-R226 PolarHBondContact OE1-NH2 3.48Å; E222-R226 IonicContact OE2-NH2 2.82Å |
| 223 | T | 83.9 | Confident | 74.9 | Confident | 30 Ų | 30 | 51.3 Ų | 51.3 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 175.7 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | S219 R226 L227 L270 | S219-T223 WeakPolarHBondContact O-CB 3.23Å; S219-T223 PolarHBondContact O-N 3.23Å; S219-T223 PolarHBondContact O-OG1 3.05Å; T223-R226 PolarHBondContact O-N 3.13Å; T223-L227 HydrophobicContact CG2-CD1 4.25Å; T223-L227 HydrophobicContact CG2-CG 4.41Å; T223-L227 WeakPolarHBondContact O-CB 3.44Å; T223-L227 VanDerWaalsContact O-CG 3.32Å; T223-L227 WeakPolarHBondContact O-CG 3.29Å; T223-L227 PolarHBondContact O-N 2.97Å; T223-L270 HydrophobicContact CG2-CD1 3.47Å; T223-L270 VanDerWaalsContact CG2-CD1 3.47Å |
| 224 | S | 89.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 112 | I220 H221 E222 L227 L228 F390 F391 | I220-S224 VanDerWaalsContact O-CB 3.27Å; I220-S224 WeakPolarHBondContact O-CB 3.13Å; I220-S224 PolarHBondContact O-N 2.82Å; I220-S224 PolarHBondContact O-OG 2.97Å; H221-S224 PolarHBondContact O-N 3.37Å; E222-S224 PolarHBondContact O-N 3.46Å; S224-L227 PolarHBondContact O-N 3.08Å; S224-L228 PolarHBondContact O-N 2.89Å; S224-F390 WeakPolarHBondContact OG-CD1 3.43Å; S224-F391 WeakPolarHBondContact O-CE1 3.41Å |
| 225 | A | 89.3 | Confident | 80.5 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H221 E222 L228 F229 | H221-A225 PolarHBondContact O-N 3.27Å; H221-A225 VanDerWaalsContact O-N 3.1Å; E222-A225 WeakPolarHBondContact O-CB 3.33Å; E222-A225 PolarHBondContact O-N 3.22Å; E222-A225 VanDerWaalsContact O-N 3.14Å; A225-L228 PolarHBondContact O-N 2.97Å; A225-F229 PolarHBondContact O-N 2.76Å |
| 226 | R | 87.4 | Confident | 82.8 | Confident | 72 Ų | 72 | 37.3 Ų | 37.3 | 27% | 0.272 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.5 | -48.7 | 173.4 | -60.5 | -159.8 | -131.2 | -64.1 | 4.7 | 111.3 | L186 E189 E222 T223 L228 F229 M230 | L186-R226 HydrophobicContact CD2-CB 3.96Å; E189-R226 IonicContact OE1-NH2 2.71Å; E189-R226 IonicContact OE2-CZ 3.97Å; E189-R226 VanDerWaalsContact OE2-CZ 3.27Å; E189-R226 IonicContact OE2-NE 3.17Å; E189-R226 PolarHBondContact OE2-NE 3.31Å; E189-R226 IonicContact OE2-NH2 3.96Å; E189-R226 PolarHBondContact OE2-NH2 2.94Å; E222-R226 VanDerWaalsContact CD-NH1 3.34Å; E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 3.4Å; E222-R226 IonicContact OE1-CZ 2.82Å; E222-R226 IonicContact OE1-NH1 2.74Å; E222-R226 PolarHBondContact OE1-NH1 3.25Å; E222-R226 IonicContact OE1-NH2 3.78Å; E222-R226 PolarHBondContact OE1-NH2 3.48Å; E222-R226 IonicContact OE2-NH2 2.82Å; T223-R226 PolarHBondContact O-N 3.13Å; R226-L228 PolarHBondContact O-N 3.15Å; R226-F229 WeakPolarHBondContact O-CB 3.48Å; R226-F229 PolarHBondContact O-N 3.24Å; R226-F229 VanDerWaalsContact O-N 3.13Å; R226-M230 WeakPolarHBondContact O-CG 3.08Å; R226-M230 PolarHBondContact O-N 3.2Å |
| 227 | L | 90.5 | Very high | 84.7 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 179.3 | -75.3 | 168.4 | 0 | 0 | 0 | 113 | T223 S224 M230 A231 F261 A265 W268 L270 | T223-L227 HydrophobicContact CG2-CD1 4.25Å; T223-L227 HydrophobicContact CG2-CG 4.41Å; T223-L227 WeakPolarHBondContact O-CB 3.44Å; T223-L227 VanDerWaalsContact O-CG 3.32Å; T223-L227 WeakPolarHBondContact O-CG 3.29Å; T223-L227 PolarHBondContact O-N 2.97Å; S224-L227 PolarHBondContact O-N 3.08Å; L227-M230 HydrophobicContact CD2-CE 4.21Å; L227-M230 HydrophobicContact CD2-SD 3.89Å; L227-M230 WeakPolarHBondContact O-CB 3.45Å; L227-M230 PolarHBondContact O-N 3.09Å; L227-A231 PolarHBondContact O-N 2.76Å; L227-F261 HydrophobicContact CB-CD2 4.2Å; L227-F261 HydrophobicContact CB-CE2 4.05Å; L227-F261 HydrophobicContact CD1-CE2 4.46Å; L227-A265 HydrophobicContact CD1-CB 4.21Å; L227-W268 HydrophobicContact CD2-CB 4.07Å; L227-W268 HydrophobicContact CD2-CG 4.13Å; L227-L270 HydrophobicContact CD1-CB 4.2Å; L227-L270 HydrophobicContact CD1-CD1 3.92Å; L227-L270 HydrophobicContact CD1-CD2 4.07Å; L227-L270 HydrophobicContact CD1-CG 4.3Å |
| 228 | L | 93.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 174 | -172.9 | 68.5 | 0 | 0 | 0 | 111.3 | S224 A225 R226 M230 A231 V232 W257 F261 F391 M400 L403 L404 M407 | S224-L228 PolarHBondContact O-N 2.89Å; A225-L228 PolarHBondContact O-N 2.97Å; R226-L228 PolarHBondContact O-N 3.15Å; L228-M230 VanDerWaalsContact C-N 3.31Å; L228-M230 PolarHBondContact O-N 3.31Å; L228-A231 WeakPolarHBondContact O-CB 3.4Å; L228-A231 PolarHBondContact O-N 3.44Å; L228-A231 VanDerWaalsContact O-N 3.14Å; L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 3Å; L228-W257 HydrophobicContact CD1-CB 4.46Å; L228-W257 HydrophobicContact CD1-CE3 3.88Å; L228-F261 HydrophobicContact CB-CD2 4.45Å; L228-F261 HydrophobicContact CD1-CB 4.35Å; L228-F391 HydrophobicContact CB-CE1 3.82Å; L228-F391 HydrophobicContact CB-CZ 3.87Å; L228-F391 HydrophobicContact CD1-CZ 4.48Å; L228-F391 HydrophobicContact CD2-CD1 4.26Å; L228-F391 HydrophobicContact CD2-CE1 3.68Å; L228-F391 HydrophobicContact CD2-CZ 3.99Å; L228-F391 HydrophobicContact CG-CE1 4.33Å; L228-F391 HydrophobicContact CG-CZ 4.34Å; L228-M400 HydrophobicContact CD2-CE 3.61Å; L228-L403 HydrophobicContact CD2-CD2 3.89Å; L228-L404 HydrophobicContact CD1-CD2 4.24Å; L228-M407 HydrophobicContact CB-CE 4.24Å; L228-M407 HydrophobicContact CD2-CE 4.14Å; L228-M407 HydrophobicContact CD2-SD 4.19Å; L228-M407 HydrophobicContact CG-CE 3.92Å |
| 229 | F | 91.1 | Very high | 88.5 | Confident | 97 Ų | 97 | 34.7 Ų | 34.7 | 43% | 0.425 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 175.7 | -176.8 | -104.3 | 0 | 0 | 0 | 112.3 | A225 R226 A231 V232 K233 M407 | A225-F229 PolarHBondContact O-N 2.76Å; R226-F229 WeakPolarHBondContact O-CB 3.48Å; R226-F229 PolarHBondContact O-N 3.24Å; R226-F229 VanDerWaalsContact O-N 3.13Å; F229-A231 PolarHBondContact O-N 3.46Å; F229-V232 PolarHBondContact O-N 2.85Å; F229-K233 HydrophobicContact CE1-CD 4.06Å; F229-K233 WeakPolarHBondContact O-CB 3.42Å; F229-K233 PolarHBondContact O-N 3.06Å; F229-M407 HydrophobicContact CB-CE 3.67Å; F229-M407 HydrophobicContact CD2-CE 3.98Å; F229-M407 HydrophobicContact CG-CE 4.34Å; F229-M407 VanDerWaalsContact N-CE 3.32Å |
| 230 | M | 89.1 | Confident | 89.5 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 7% | 0.074 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 173.6 | -60.6 | 160.3 | 60.5 | 0 | 0 | 112.2 | A184 L186 R226 L227 L228 K233 W234 | A184-M230 HydrophobicContact CB-CB 4.33Å; A184-M230 VanDerWaalsContact O-CE 3.23Å; A184-M230 WeakPolarHBondContact O-CE 3.31Å; A184-M230 WeakPolarHBondContact O-CG 3.46Å; L186-M230 HydrophobicContact CD1-SD 4.07Å; L186-M230 HydrophobicContact CD2-CE 4.46Å; L186-M230 HydrophobicContact CD2-CG 4.4Å; L186-M230 HydrophobicContact CD2-SD 3.42Å; L186-M230 WeakPolarHBondContact CD2-SD 3.36Å; L186-M230 HydrophobicContact CG-CE 3.84Å; L186-M230 HydrophobicContact CG-SD 3.4Å; L186-M230 WeakPolarHBondContact CG-SD 3.41Å; R226-M230 WeakPolarHBondContact O-CG 3.08Å; R226-M230 PolarHBondContact O-N 3.2Å; L227-M230 HydrophobicContact CD2-CE 4.21Å; L227-M230 HydrophobicContact CD2-SD 3.89Å; L227-M230 WeakPolarHBondContact O-CB 3.45Å; L227-M230 PolarHBondContact O-N 3.09Å; L228-M230 VanDerWaalsContact C-N 3.31Å; L228-M230 PolarHBondContact O-N 3.31Å; M230-K233 PolarHBondContact O-N 3.01Å; M230-W234 WeakPolarHBondContact O-CB 3.33Å; M230-W234 PolarHBondContact O-N 3.41Å |
| 231 | A | 93.2 | Very high | 90.3 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 12% | 0.124 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L227 L228 F229 W234 A235 L260 | L227-A231 PolarHBondContact O-N 2.76Å; L228-A231 WeakPolarHBondContact O-CB 3.4Å; L228-A231 PolarHBondContact O-N 3.44Å; L228-A231 VanDerWaalsContact O-N 3.14Å; F229-A231 PolarHBondContact O-N 3.46Å; A231-W234 WeakPolarHBondContact O-CB 3.49Å; A231-W234 PolarHBondContact O-N 3.32Å; A231-A235 PolarHBondContact O-N 2.99Å; A231-A235 VanDerWaalsContact O-N 3.09Å; A231-L260 HydrophobicContact CB-CB 4.17Å |
| 232 | V | 93.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.9 | 176.3 | 0 | 0 | 0 | 0 | 111 | L228 F229 W234 A235 K236 L253 L404 M407 F408 | L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 3Å; F229-V232 PolarHBondContact O-N 2.85Å; V232-W234 VanDerWaalsContact C-N 3.33Å; V232-W234 PolarHBondContact O-N 3.2Å; V232-A235 PolarHBondContact O-N 2.82Å; V232-K236 HydrophobicContact CG1-CD 4.35Å; V232-K236 WeakPolarHBondContact O-CG 3.42Å; V232-K236 PolarHBondContact O-N 3.34Å; V232-L253 HydrophobicContact CG1-CD2 4.09Å; V232-L253 HydrophobicContact CG2-CD1 4.4Å; V232-L253 HydrophobicContact CG2-CD2 4.26Å; V232-L404 HydrophobicContact CG2-CD2 3.69Å; V232-M407 HydrophobicContact CG1-CB 4.1Å; V232-M407 HydrophobicContact CG2-CB 4.47Å; V232-M407 HydrophobicContact CG2-CE 4.14Å; V232-F408 HydrophobicContact CG1-CB 4.41Å; V232-F408 HydrophobicContact CG1-CD2 4.07Å |
| 233 | K | 90.2 | Very high | 91 | Very high | 84 Ų | 84 | 35.3 Ų | 35.3 | 37% | 0.365 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.1 | -36 | 177.5 | -176.5 | -174.4 | 179.4 | -153.9 | 0 | 112.2 | C183 F229 M230 N237 | C183-K233 PolarHBondContact O-NZ 3.2Å; F229-K233 HydrophobicContact CE1-CD 4.06Å; F229-K233 WeakPolarHBondContact O-CB 3.42Å; F229-K233 PolarHBondContact O-N 3.06Å; M230-K233 PolarHBondContact O-N 3.01Å; K233-N237 WeakPolarHBondContact CG-ND2 3.32Å; K233-N237 WeakPolarHBondContact O-CB 3.3Å; K233-N237 VanDerWaalsContact O-CG 3.29Å; K233-N237 PolarHBondContact O-N 3.31Å; K233-N237 VanDerWaalsContact O-N 3.14Å; K233-N237 PolarHBondContact O-ND2 2.98Å |
| 234 | W | 93.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -53.6 | 174.5 | 174.6 | 89.9 | 0 | 0 | 0 | 110 | L177 A180 A184 M230 A231 V232 K236 N237 L238 L260 K324 A325 L328 | L177-W234 HydrophobicContact CD2-CH2 4.45Å; L177-W234 HydrophobicContact CD2-CZ2 3.97Å; A180-W234 VanDerWaalsContact C-CD1 3.46Å; A180-W234 HydrophobicContact CB-CG 4.26Å; A184-W234 HydrophobicContact CB-CB 3.91Å; M230-W234 WeakPolarHBondContact O-CB 3.33Å; M230-W234 PolarHBondContact O-N 3.41Å; A231-W234 WeakPolarHBondContact O-CB 3.49Å; A231-W234 PolarHBondContact O-N 3.32Å; V232-W234 VanDerWaalsContact C-N 3.33Å; V232-W234 PolarHBondContact O-N 3.2Å; W234-K236 PolarHBondContact O-N 2.92Å; W234-N237 PolarHBondContact O-N 3.38Å; W234-N237 VanDerWaalsContact O-N 3.14Å; W234-L238 HydrophobicContact CD2-CD1 4.4Å; W234-L238 HydrophobicContact CE3-CD1 4.23Å; W234-L238 HydrophobicContact CH2-CD1 3.73Å; W234-L238 HydrophobicContact CZ2-CD1 3.96Å; W234-L238 HydrophobicContact CZ3-CD1 3.9Å; W234-L238 PolarHBondContact O-N 3.26Å; W234-L260 HydrophobicContact CZ3-CD2 4.05Å; W234-K324 HydrophobicContact CD2-CD 4.48Å; W234-K324 HydrophobicContact CH2-CB 3.41Å; W234-K324 VanDerWaalsContact CH2-CB 3.41Å; W234-K324 HydrophobicContact CZ2-CB 3.7Å; W234-K324 HydrophobicContact CZ2-CD 4.28Å; W234-K324 HydrophobicContact CZ3-CB 3.86Å; W234-A325 HydrophobicContact CH2-CB 4.34Å; W234-L328 HydrophobicContact CZ3-CD2 3.76Å |
| 235 | A | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.8 | -48.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A231 V232 N237 L238 F241 L253 L328 | A231-A235 PolarHBondContact O-N 2.99Å; A231-A235 VanDerWaalsContact O-N 3.09Å; V232-A235 PolarHBondContact O-N 2.82Å; A235-N237 PolarHBondContact O-N 2.93Å; A235-L238 WeakPolarHBondContact O-CB 3.47Å; A235-L238 PolarHBondContact O-N 3.36Å; A235-L238 VanDerWaalsContact O-N 3.12Å; A235-F241 HydrophobicContact CB-CD1 4.26Å; A235-F241 HydrophobicContact CB-CE1 4.1Å; A235-F241 HydrophobicContact CB-CZ 4.38Å; A235-F241 WeakPolarHBondContact O-CD1 3.48Å; A235-L253 HydrophobicContact CB-CD1 4.47Å; A235-L328 HydrophobicContact CB-CD2 3.93Å |
| 236 | K | 90.9 | Very high | 91.9 | Very high | 60 Ų | 60 | 40.5 Ų | 40.5 | 26% | 0.261 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -54.8 | -36.5 | 176.1 | -77.9 | -179.4 | 60.3 | 162.8 | 0 | 114 | V232 W234 L238 F408 N410 | V232-K236 HydrophobicContact CG1-CD 4.35Å; V232-K236 WeakPolarHBondContact O-CG 3.42Å; V232-K236 PolarHBondContact O-N 3.34Å; W234-K236 PolarHBondContact O-N 2.92Å; K236-L238 VanDerWaalsContact C-N 3.33Å; K236-F408 HydrophobicContact CD-CD2 3.79Å; K236-F408 HydrophobicContact CD-CE2 4.03Å; K236-F408 HydrophobicContact CD-CG 4.35Å; K236-F408 WeakPolarHBondContact CD-O 3.37Å; K236-F408 WeakPolarHBondContact CE-O 2.88Å; K236-F408 HydrophobicContact CG-CD2 3.55Å; K236-F408 HydrophobicContact CG-CE2 3.28Å; K236-F408 HydrophobicContact CG-CG 4.47Å; K236-F408 HydrophobicContact CG-CZ 4.03Å; K236-F408 PolarHBondContact NZ-O 2.92Å; K236-N410 PolarHBondContact NZ-O 3.05Å; K236-N410 PolarHBondContact NZ-OXT 3.49Å |
| 237 | N | 89.6 | Confident | 92.2 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 43% | 0.433 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2.3 | -176.6 | -73 | -45.7 | 0 | 0 | 0 | 113.8 | K233 W234 A235 P239 | K233-N237 WeakPolarHBondContact CG-ND2 3.32Å; K233-N237 WeakPolarHBondContact O-CB 3.3Å; K233-N237 VanDerWaalsContact O-CG 3.29Å; K233-N237 PolarHBondContact O-N 3.31Å; K233-N237 VanDerWaalsContact O-N 3.14Å; K233-N237 PolarHBondContact O-ND2 2.98Å; W234-N237 PolarHBondContact O-N 3.38Å; W234-N237 VanDerWaalsContact O-N 3.14Å; A235-N237 PolarHBondContact O-N 2.93Å; N237-P239 WeakPolarHBondContact O-CD 3.23Å |
| 238 | L | 91.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -77.1 | 120.5 | 171.6 | -66.7 | 177.4 | 0 | 0 | 0 | 110.1 | L177 A180 W234 A235 K236 V240 F241 S242 L328 | L177-L238 HydrophobicContact CD2-CD1 4.09Å; L177-L238 HydrophobicContact CD2-CD2 3.75Å; A180-L238 HydrophobicContact CB-CD2 3.57Å; A180-L238 HydrophobicContact CB-CG 4.24Å; W234-L238 HydrophobicContact CD2-CD1 4.4Å; W234-L238 HydrophobicContact CE3-CD1 4.23Å; W234-L238 HydrophobicContact CH2-CD1 3.73Å; W234-L238 HydrophobicContact CZ2-CD1 3.96Å; W234-L238 HydrophobicContact CZ3-CD1 3.9Å; W234-L238 PolarHBondContact O-N 3.26Å; A235-L238 WeakPolarHBondContact O-CB 3.47Å; A235-L238 PolarHBondContact O-N 3.36Å; A235-L238 VanDerWaalsContact O-N 3.12Å; K236-L238 VanDerWaalsContact C-N 3.33Å; L238-V240 VanDerWaalsContact C-N 3.26Å; L238-V240 HydrophobicContact CB-CG2 4.44Å; L238-V240 PolarHBondContact O-N 3.49Å; L238-F241 HydrophobicContact CB-CB 3.75Å; L238-F241 PolarHBondContact O-N 2.9Å; L238-F241 VanDerWaalsContact O-N 3.12Å; L238-S242 PolarHBondContact O-N 2.86Å; L238-S242 PolarHBondContact O-OG 3.39Å; L238-L328 HydrophobicContact CD1-CD2 4.48Å | ||
| 239 | P | 90 | Very high | 92.6 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 44% | 0.442 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.9 | -36.7 | 179.1 | -25.3 | 36 | 0 | 0 | 0 | 112.9 | N237 S242 S243 | N237-P239 WeakPolarHBondContact O-CD 3.23Å; P239-S242 WeakPolarHBondContact CA-OG 3.4Å; P239-S242 PolarHBondContact O-OG 3.32Å; P239-S242 VanDerWaalsContact O-OG 3.08Å; P239-S243 PolarHBondContact O-N 2.85Å; P239-S243 VanDerWaalsContact O-N 3.14Å; P239-S243 PolarHBondContact O-OG 3.47Å |
| 240 | V | 91.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 40.2 Ų | 40.2 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.9 | -29.7 | 177.5 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | F173 L238 S243 F329 L345 | F173-V240 HydrophobicContact CD2-CG1 4.25Å; F173-V240 HydrophobicContact CD2-CG2 3.92Å; F173-V240 HydrophobicContact CE2-CG2 3.51Å; F173-V240 HydrophobicContact CZ-CG2 4.47Å; L238-V240 VanDerWaalsContact C-N 3.26Å; L238-V240 HydrophobicContact CB-CG2 4.44Å; L238-V240 PolarHBondContact O-N 3.49Å; V240-S243 WeakPolarHBondContact CA-OG 3.34Å; V240-S243 PolarHBondContact O-OG 3.36Å; V240-F329 HydrophobicContact CG2-CZ 4.07Å; V240-L345 HydrophobicContact CB-CD1 4.3Å; V240-L345 HydrophobicContact CB-CD2 3.75Å; V240-L345 HydrophobicContact CG1-CD2 4.06Å; V240-L345 HydrophobicContact CG2-CD2 4.07Å |
| 241 | F | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -77.5 | -43.6 | 177.4 | -176.6 | -99.8 | 0 | 0 | 0 | 110.2 | A235 L238 S243 L244 Q249 L252 L328 F329 F408 | A235-F241 HydrophobicContact CB-CD1 4.26Å; A235-F241 HydrophobicContact CB-CE1 4.1Å; A235-F241 HydrophobicContact CB-CZ 4.38Å; A235-F241 WeakPolarHBondContact O-CD1 3.48Å; L238-F241 HydrophobicContact CB-CB 3.75Å; L238-F241 PolarHBondContact O-N 2.9Å; L238-F241 VanDerWaalsContact O-N 3.12Å; F241-S243 PolarHBondContact O-N 2.85Å; F241-L244 HydrophobicContact CD2-CD1 3.99Å; F241-L244 HydrophobicContact CE2-CD1 4.45Å; F241-L244 VanDerWaalsContact O-CB 3.32Å; F241-L244 WeakPolarHBondContact O-CB 3.34Å; F241-L244 PolarHBondContact O-N 2.95Å; F241-L244 VanDerWaalsContact O-N 3.07Å; F241-Q249 HydrophobicContact CD1-CG 4.19Å; F241-Q249 HydrophobicContact CE1-CB 3.73Å; F241-Q249 HydrophobicContact CE1-CG 3.91Å; F241-Q249 HydrophobicContact CE2-CB 4.42Å; F241-Q249 HydrophobicContact CZ-CB 3.71Å; F241-Q249 HydrophobicContact CZ-CG 4.12Å; F241-Q249 VanDerWaalsContact CZ-O 3.31Å; F241-Q249 WeakPolarHBondContact CZ-O 3.3Å; F241-Q249 VanDerWaalsContact O-CD 3.29Å; F241-Q249 VanDerWaalsContact O-CG 3.3Å; F241-Q249 WeakPolarHBondContact O-CG 3.26Å; F241-Q249 PolarHBondContact O-NE2 3.09Å; F241-L252 HydrophobicContact CE2-CB 4.29Å; F241-L252 HydrophobicContact CE2-CD1 4.37Å; F241-L328 HydrophobicContact CD2-CD1 4.4Å; F241-L328 HydrophobicContact CD2-CD2 3.73Å; F241-L328 HydrophobicContact CD2-CG 4.17Å; F241-L328 HydrophobicContact CE2-CD1 3.72Å; F241-L328 HydrophobicContact CE2-CD2 3.86Å; F241-L328 HydrophobicContact CE2-CG 3.97Å; F241-L328 HydrophobicContact CG-CD2 4.4Å; F241-L328 HydrophobicContact CZ-CD1 4.29Å; F241-F329 HydrophobicContact CB-CE1 4.5Å; F241-F329 HydrophobicContact CB-CZ 4.44Å; F241-F329 AromaticContact CD2-CE1 3.92Å; F241-F329 HydrophobicContact CD2-CE1 3.92Å; F241-F329 HydrophobicContact CD2-CZ 4.45Å; F241-F408 AromaticContact CE1-CE2 3.78Å; F241-F408 HydrophobicContact CE1-CE2 3.78Å; F241-F408 AromaticContact CE1-CZ 3.84Å; F241-F408 HydrophobicContact CE1-CZ 3.84Å |
| 242 | S | 91.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 40.2 Ų | 40.2 | 44% | 0.441 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.4 | -17.9 | 175.1 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | L238 P239 Q249 | L238-S242 PolarHBondContact O-N 2.86Å; L238-S242 PolarHBondContact O-OG 3.39Å; P239-S242 WeakPolarHBondContact CA-OG 3.4Å; P239-S242 PolarHBondContact O-OG 3.32Å; P239-S242 VanDerWaalsContact O-OG 3.08Å; S242-Q249 PolarHBondContact O-NE2 3.38Å |
| 243 | S | 91.1 | Very high | 93.4 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 56% | 0.559 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -15.5 | 170.5 | 59.4 | 0 | 0 | 0 | 0 | 115 | P239 V240 F241 | P239-S243 PolarHBondContact O-N 2.85Å; P239-S243 VanDerWaalsContact O-N 3.14Å; P239-S243 PolarHBondContact O-OG 3.47Å; V240-S243 WeakPolarHBondContact CA-OG 3.34Å; V240-S243 PolarHBondContact O-OG 3.36Å; F241-S243 PolarHBondContact O-N 2.85Å |
| 244 | L | 94.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -65.4 | 158.6 | 173.6 | -74 | 166 | 0 | 0 | 0 | 111.2 | F241 F246 Q249 L252 F329 V342 L345 | F241-L244 HydrophobicContact CD2-CD1 3.99Å; F241-L244 HydrophobicContact CE2-CD1 4.45Å; F241-L244 VanDerWaalsContact O-CB 3.32Å; F241-L244 WeakPolarHBondContact O-CB 3.34Å; F241-L244 PolarHBondContact O-N 2.95Å; F241-L244 VanDerWaalsContact O-N 3.07Å; L244-F246 PolarHBondContact O-N 3.32Å; L244-Q249 HydrophobicContact CB-CG 3.89Å; L244-Q249 PolarHBondContact O-NE2 3.39Å; L244-L252 HydrophobicContact CD1-CD1 3.8Å; L244-F329 HydrophobicContact CD1-CD1 4.48Å; L244-F329 HydrophobicContact CD1-CE1 4.11Å; L244-V342 HydrophobicContact CD1-CG2 4.37Å; L244-V342 HydrophobicContact CD2-CG2 3.77Å; L244-L345 HydrophobicContact CD1-CD1 4.4Å; L244-L345 HydrophobicContact CG-CD1 4.5Å |
| 245 | P | 94.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 28% | 0.279 | 23% | 0.227 | S | C | . | . | trans | -54.7 | 134.8 | 168.8 | -23.1 | 33.7 | 0 | 0 | 0 | 111.2 | R247 D248 Q249 K337 | P245-R247 PolarHBondContact O-N 2.97Å; P245-D248 HydrophobicContact CB-CB 4.25Å; P245-D248 HydrophobicContact CG-CB 4.49Å; P245-D248 WeakPolarHBondContact O-CA 3.47Å; P245-D248 WeakPolarHBondContact O-CB 3.39Å; P245-D248 PolarHBondContact O-N 2.93Å; P245-Q249 PolarHBondContact O-N 2.94Å; P245-K337 HydrophobicContact CB-CD 4.16Å; P245-K337 HydrophobicContact CG-CB 4.27Å | ||
| 246 | F | 93.2 | Very high | 93.8 | Very high | 126 Ų | 126 | 43.3 Ų | 43.3 | 55% | 0.553 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -54 | -34.1 | -177.7 | 178.3 | -94.3 | 0 | 0 | 0 | 113.8 | L244 D248 Q249 V250 F408 | L244-F246 PolarHBondContact O-N 3.32Å; F246-D248 VanDerWaalsContact C-N 3.33Å; F246-D248 PolarHBondContact O-N 2.77Å; F246-Q249 PolarHBondContact O-N 3.35Å; F246-V250 HydrophobicContact CD1-CG2 4.4Å; F246-V250 HydrophobicContact CE1-CG2 3.9Å; F246-V250 HydrophobicContact CE2-CG2 4.49Å; F246-V250 HydrophobicContact CZ-CG2 3.95Å; F246-V250 WeakPolarHBondContact O-CG2 3.38Å; F246-V250 PolarHBondContact O-N 3.12Å; F246-V250 VanDerWaalsContact O-N 3.15Å; F246-F408 HydrophobicContact CD2-CE1 4.16Å; F246-F408 AromaticContact CE2-CD1 3.95Å; F246-F408 HydrophobicContact CE2-CD1 3.95Å; F246-F408 AromaticContact CE2-CE1 3.66Å; F246-F408 HydrophobicContact CE2-CE1 3.66Å; F246-F408 HydrophobicContact CZ-CD1 4.33Å; F246-F408 HydrophobicContact CZ-CE1 4.4Å |
| 247 | R | 92.9 | Very high | 94.1 | Very high | 126 Ų | 126 | 40.9 Ų | 40.9 | 48% | 0.475 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 173.4 | -178.2 | -175.2 | -178 | -144.4 | 5.5 | 111.8 | P245 V250 I251 G335 | P245-R247 PolarHBondContact O-N 2.97Å; R247-V250 PolarHBondContact O-N 3.05Å; R247-I251 HydrophobicContact CG-CD1 3.83Å; R247-I251 VanDerWaalsContact O-CG1 3.31Å; R247-I251 WeakPolarHBondContact O-CG1 3.39Å; R247-I251 PolarHBondContact O-N 3.28Å; R247-G335 PolarHBondContact NH1-O 2.87Å; R247-G335 PolarHBondContact NH2-O 2.73Å |
| 248 | D | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.9 | -37.4 | -176.1 | -61.4 | 20.2 | 0 | 0 | 0 | 109.4 | P245 F246 V250 I251 L252 L336 K337 D338 | P245-D248 HydrophobicContact CB-CB 4.25Å; P245-D248 HydrophobicContact CG-CB 4.49Å; P245-D248 WeakPolarHBondContact O-CA 3.47Å; P245-D248 WeakPolarHBondContact O-CB 3.39Å; P245-D248 PolarHBondContact O-N 2.93Å; F246-D248 VanDerWaalsContact C-N 3.33Å; F246-D248 PolarHBondContact O-N 2.77Å; D248-V250 PolarHBondContact O-N 2.94Å; D248-I251 PolarHBondContact O-N 2.89Å; D248-L252 WeakPolarHBondContact O-CB 3.24Å; D248-L252 WeakPolarHBondContact O-CG 3.28Å; D248-L252 PolarHBondContact O-N 3.12Å; D248-L336 HydrophobicContact CB-CD2 3.85Å; D248-K337 PolarHBondContact OD1-N 3.39Å; D248-K337 WeakPolarHBondContact OD2-CA 3.3Å; D248-K337 WeakPolarHBondContact OD2-CB 3.26Å; D248-K337 PolarHBondContact OD2-N 2.71Å; D248-D338 PolarHBondContact OD2-N 2.84Å |
| 249 | Q | 95.6 | Very high | 94.6 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 9% | 0.089 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.2 | -48 | 170.3 | -64.1 | 179.1 | 35.5 | 0 | 0 | 111.9 | F241 S242 L244 P245 F246 L253 F408 | F241-Q249 HydrophobicContact CD1-CG 4.19Å; F241-Q249 HydrophobicContact CE1-CB 3.73Å; F241-Q249 HydrophobicContact CE1-CG 3.91Å; F241-Q249 HydrophobicContact CE2-CB 4.42Å; F241-Q249 HydrophobicContact CZ-CB 3.71Å; F241-Q249 HydrophobicContact CZ-CG 4.12Å; F241-Q249 VanDerWaalsContact CZ-O 3.31Å; F241-Q249 WeakPolarHBondContact CZ-O 3.3Å; F241-Q249 VanDerWaalsContact O-CD 3.29Å; F241-Q249 VanDerWaalsContact O-CG 3.3Å; F241-Q249 WeakPolarHBondContact O-CG 3.26Å; F241-Q249 PolarHBondContact O-NE2 3.09Å; S242-Q249 PolarHBondContact O-NE2 3.38Å; L244-Q249 HydrophobicContact CB-CG 3.89Å; L244-Q249 PolarHBondContact O-NE2 3.39Å; P245-Q249 PolarHBondContact O-N 2.94Å; F246-Q249 PolarHBondContact O-N 3.35Å; Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 PolarHBondContact O-N 3.32Å; Q249-L253 VanDerWaalsContact O-N 3.12Å; Q249-F408 HydrophobicContact CB-CE1 4.33Å; Q249-F408 HydrophobicContact CB-CZ 3.96Å |
| 250 | V | 94.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 15% | 0.152 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.4 | -48.7 | 178.6 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | F246 R247 D248 L252 L253 E254 F408 | F246-V250 HydrophobicContact CD1-CG2 4.4Å; F246-V250 HydrophobicContact CE1-CG2 3.9Å; F246-V250 HydrophobicContact CE2-CG2 4.49Å; F246-V250 HydrophobicContact CZ-CG2 3.95Å; F246-V250 WeakPolarHBondContact O-CG2 3.38Å; F246-V250 PolarHBondContact O-N 3.12Å; F246-V250 VanDerWaalsContact O-N 3.15Å; R247-V250 PolarHBondContact O-N 3.05Å; D248-V250 PolarHBondContact O-N 2.94Å; V250-L252 PolarHBondContact O-N 3.22Å; V250-L253 PolarHBondContact O-N 3.38Å; V250-E254 HydrophobicContact CG1-CG 4.27Å; V250-E254 WeakPolarHBondContact CG1-OE1 3.45Å; V250-E254 WeakPolarHBondContact O-CB 3.49Å; V250-E254 WeakPolarHBondContact O-CG 3.42Å; V250-E254 PolarHBondContact O-N 2.84Å; V250-F408 HydrophobicContact CG2-CD1 4.29Å; V250-F408 HydrophobicContact CG2-CE1 4.42Å |
| 251 | I | 95.7 | Very high | 95.1 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 179.8 | -72.6 | 171 | 0 | 0 | 0 | 111.7 | R247 D248 L253 E254 E255 T333 G335 L336 | R247-I251 HydrophobicContact CG-CD1 3.83Å; R247-I251 VanDerWaalsContact O-CG1 3.31Å; R247-I251 WeakPolarHBondContact O-CG1 3.39Å; R247-I251 PolarHBondContact O-N 3.28Å; D248-I251 PolarHBondContact O-N 2.89Å; I251-L253 VanDerWaalsContact C-N 3.33Å; I251-L253 PolarHBondContact O-N 3Å; I251-E254 PolarHBondContact O-N 3.01Å; I251-E255 WeakPolarHBondContact O-CB 3.19Å; I251-E255 PolarHBondContact O-N 3.48Å; I251-T333 HydrophobicContact CG2-CG2 3.45Å; I251-T333 VanDerWaalsContact CG2-CG2 3.45Å; I251-G335 WeakPolarHBondContact CD1-O 3.43Å; I251-L336 HydrophobicContact CB-CD2 4.34Å; I251-L336 HydrophobicContact CG2-CD2 3.92Å |
| 252 | L | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -36.6 | 179.4 | -68.7 | 173.1 | 0 | 0 | 0 | 111.9 | F241 L244 D248 V250 A256 L328 K330 L336 V342 | F241-L252 HydrophobicContact CE2-CB 4.29Å; F241-L252 HydrophobicContact CE2-CD1 4.37Å; L244-L252 HydrophobicContact CD1-CD1 3.8Å; D248-L252 WeakPolarHBondContact O-CB 3.24Å; D248-L252 WeakPolarHBondContact O-CG 3.28Å; D248-L252 PolarHBondContact O-N 3.12Å; V250-L252 PolarHBondContact O-N 3.22Å; L252-A256 WeakPolarHBondContact O-CB 3.28Å; L252-A256 PolarHBondContact O-N 2.77Å; L252-L328 HydrophobicContact CB-CD1 4.15Å; L252-K330 HydrophobicContact CD2-CB 4.46Å; L252-L336 HydrophobicContact CD1-CD2 4.44Å; L252-L336 HydrophobicContact CD2-CD1 4.19Å; L252-L336 HydrophobicContact CD2-CD2 3.87Å; L252-L336 HydrophobicContact CG-CD2 3.85Å; L252-V342 HydrophobicContact CD1-CG1 4.2Å; L252-V342 HydrophobicContact CD1-CG2 3.92Å; L252-V342 HydrophobicContact CD2-CG1 4.16Å |
| 253 | L | 96.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -41.1 | 177.4 | -174.2 | 64.3 | 0 | 0 | 0 | 111.9 | V232 A235 Q249 V250 I251 E255 A256 W257 L260 F408 | V232-L253 HydrophobicContact CG1-CD2 4.09Å; V232-L253 HydrophobicContact CG2-CD1 4.4Å; V232-L253 HydrophobicContact CG2-CD2 4.26Å; A235-L253 HydrophobicContact CB-CD1 4.47Å; Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 PolarHBondContact O-N 3.32Å; Q249-L253 VanDerWaalsContact O-N 3.12Å; V250-L253 PolarHBondContact O-N 3.38Å; I251-L253 VanDerWaalsContact C-N 3.33Å; I251-L253 PolarHBondContact O-N 3Å; L253-E255 VanDerWaalsContact C-N 3.31Å; L253-E255 PolarHBondContact O-N 3.28Å; L253-A256 PolarHBondContact O-N 2.91Å; L253-W257 WeakPolarHBondContact O-CB 3.46Å; L253-W257 PolarHBondContact O-N 3.21Å; L253-L260 HydrophobicContact CD1-CD1 4.32Å; L253-F408 HydrophobicContact CD2-CB 4.35Å; L253-F408 HydrophobicContact CD2-CD2 3.46Å; L253-F408 VanDerWaalsContact CD2-CD2 3.46Å; L253-F408 HydrophobicContact CD2-CE2 4.03Å; L253-F408 HydrophobicContact CD2-CG 4.14Å |
| 254 | E | 95.1 | Very high | 95.2 | Very high | 70 Ų | 70 | 27.6 Ų | 27.6 | 33% | 0.327 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.5 | -33.4 | 174.6 | -73.2 | 173.8 | 170.9 | 0 | 0 | 112.2 | V250 I251 W257 | V250-E254 HydrophobicContact CG1-CG 4.27Å; V250-E254 WeakPolarHBondContact CG1-OE1 3.45Å; V250-E254 WeakPolarHBondContact O-CB 3.49Å; V250-E254 WeakPolarHBondContact O-CG 3.42Å; V250-E254 PolarHBondContact O-N 2.84Å; I251-E254 PolarHBondContact O-N 3.01Å; E254-W257 VanDerWaalsContact O-CD1 3.26Å |
| 255 | E | 95.8 | Very high | 95 | Very high | 79 Ų | 79 | 27.4 Ų | 27.4 | 37% | 0.369 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -82.9 | -21 | 175.5 | 174.6 | 59 | -145.2 | 0 | 0 | 113.8 | I251 L253 K330 T333 | I251-E255 WeakPolarHBondContact O-CB 3.19Å; I251-E255 PolarHBondContact O-N 3.48Å; L253-E255 VanDerWaalsContact C-N 3.31Å; L253-E255 PolarHBondContact O-N 3.28Å; E255-K330 HydrophobicContact CG-CD 3.67Å; E255-K330 PolarHBondContact O-NZ 2.8Å; E255-K330 IonicContact OE1-NZ 3.68Å; E255-K330 PolarHBondContact OE1-NZ 2.68Å; E255-T333 HydrophobicContact CB-CG2 4.01Å; E255-T333 HydrophobicContact CG-CG2 3.98Å |
| 256 | A | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -109.7 | -12.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L252 L253 S258 E259 L260 V327 L328 | L252-A256 WeakPolarHBondContact O-CB 3.28Å; L252-A256 PolarHBondContact O-N 2.77Å; L253-A256 PolarHBondContact O-N 2.91Å; A256-S258 PolarHBondContact O-N 3.22Å; A256-S258 VanDerWaalsContact O-N 3.11Å; A256-E259 PolarHBondContact O-N 3.16Å; A256-L260 HydrophobicContact CB-CD1 3.91Å; A256-L260 HydrophobicContact CB-CG 4.24Å; A256-L260 WeakPolarHBondContact O-CB 3.34Å; A256-L260 WeakPolarHBondContact O-CG 3.32Å; A256-L260 PolarHBondContact O-N 3.09Å; A256-V327 VanDerWaalsContact CB-O 3.23Å; A256-V327 WeakPolarHBondContact CB-O 3.43Å; A256-L328 HydrophobicContact CB-CD1 4.1Å |
| 257 | W | 96.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 21.1 Ų | 21.1 | 3% | 0.03 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.3 | -37.1 | -169.2 | 76.2 | -95.1 | 0 | 0 | 0 | 114.2 | L228 L253 E254 F261 A383 I386 F391 M400 L404 | L228-W257 HydrophobicContact CD1-CB 4.46Å; L228-W257 HydrophobicContact CD1-CE3 3.88Å; L253-W257 WeakPolarHBondContact O-CB 3.46Å; L253-W257 PolarHBondContact O-N 3.21Å; E254-W257 VanDerWaalsContact O-CD1 3.26Å; W257-F261 WeakPolarHBondContact O-CB 3.45Å; W257-F261 PolarHBondContact O-N 3.38Å; W257-A383 WeakPolarHBondContact CH2-O 3.39Å; W257-A383 HydrophobicContact CZ2-CB 3.71Å; W257-I386 HydrophobicContact CH2-CB 4.07Å; W257-I386 HydrophobicContact CH2-CG2 3.76Å; W257-I386 HydrophobicContact CZ3-CB 4.33Å; W257-I386 HydrophobicContact CZ3-CG2 3.55Å; W257-F391 HydrophobicContact CZ3-CD2 4.32Å; W257-F391 AromaticContact CZ3-CE2 3.98Å; W257-F391 HydrophobicContact CZ3-CE2 3.98Å; W257-M400 HydrophobicContact CD2-CE 4.04Å; W257-M400 HydrophobicContact CE3-CE 3.72Å; W257-M400 HydrophobicContact CH2-CE 3.66Å; W257-M400 HydrophobicContact CH2-CG 3.97Å; W257-M400 HydrophobicContact CH2-SD 4.2Å; W257-M400 HydrophobicContact CZ2-CB 4.01Å; W257-M400 HydrophobicContact CZ2-CE 3.96Å; W257-M400 HydrophobicContact CZ2-CG 3.7Å; W257-M400 HydrophobicContact CZ2-SD 4.47Å; W257-M400 HydrophobicContact CZ3-CE 3.52Å; W257-L404 HydrophobicContact CB-CD1 3.69Å; W257-L404 HydrophobicContact CB-CD2 3.86Å; W257-L404 HydrophobicContact CB-CG 4.42Å; W257-L404 VanDerWaalsContact CD1-CD1 3.49Å; W257-L404 HydrophobicContact CD2-CD1 4.41Å; W257-L404 HydrophobicContact CG-CD1 3.59Å; W257-L404 HydrophobicContact CG-CD2 4.42Å |
| 258 | S | 95.8 | Very high | 94.1 | Very high | 15 Ų | 15 | 18.9 Ų | 18.9 | 11% | 0.105 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69 | -47.8 | -176 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | A256 F261 L262 | A256-S258 PolarHBondContact O-N 3.22Å; A256-S258 VanDerWaalsContact O-N 3.11Å; S258-F261 PolarHBondContact O-N 2.81Å; S258-L262 WeakPolarHBondContact O-CG 3.5Å; S258-L262 PolarHBondContact O-N 3.24Å |
| 259 | E | 96.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.7 | -40.4 | 175.9 | -62.2 | -175.8 | -106.7 | 0 | 0 | 111.2 | A256 L262 L263 V327 K330 L378 | A256-E259 PolarHBondContact O-N 3.16Å; E259-L262 PolarHBondContact O-N 3.08Å; E259-L263 WeakPolarHBondContact O-CB 3.41Å; E259-L263 WeakPolarHBondContact O-CG 3.49Å; E259-L263 PolarHBondContact O-N 3.01Å; E259-V327 HydrophobicContact CB-CB 3.96Å; E259-V327 HydrophobicContact CB-CG1 4.09Å; E259-V327 HydrophobicContact CB-CG2 4.06Å; E259-K330 WeakPolarHBondContact OE1-CE 3.46Å; E259-K330 IonicContact OE1-NZ 3.81Å; E259-K330 PolarHBondContact OE1-NZ 3.4Å; E259-L378 HydrophobicContact CB-CD1 4.33Å; E259-L378 HydrophobicContact CG-CB 4.21Å |
| 260 | L | 96.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.1 | -72.5 | 171.9 | 0 | 0 | 0 | 112.4 | A231 W234 L253 A256 G264 K324 V327 L328 | A231-L260 HydrophobicContact CB-CB 4.17Å; W234-L260 HydrophobicContact CZ3-CD2 4.05Å; L253-L260 HydrophobicContact CD1-CD1 4.32Å; A256-L260 HydrophobicContact CB-CD1 3.91Å; A256-L260 HydrophobicContact CB-CG 4.24Å; A256-L260 WeakPolarHBondContact O-CB 3.34Å; A256-L260 WeakPolarHBondContact O-CG 3.32Å; A256-L260 PolarHBondContact O-N 3.09Å; L260-G264 PolarHBondContact O-N 2.82Å; L260-K324 HydrophobicContact CD2-CB 3.72Å; L260-K324 HydrophobicContact CD2-CG 4Å; L260-K324 WeakPolarHBondContact CD2-O 3.3Å; L260-V327 HydrophobicContact CD2-CG2 3.71Å; L260-V327 HydrophobicContact CG-CG2 3.98Å; L260-L328 HydrophobicContact CD1-CD1 4.23Å |
| 261 | F | 95.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 175 | 169.4 | -101 | 0 | 0 | 0 | 111.3 | L227 L228 W257 S258 G264 A265 I386 F390 F391 | L227-F261 HydrophobicContact CB-CD2 4.2Å; L227-F261 HydrophobicContact CB-CE2 4.05Å; L227-F261 HydrophobicContact CD1-CE2 4.46Å; L228-F261 HydrophobicContact CB-CD2 4.45Å; L228-F261 HydrophobicContact CD1-CB 4.35Å; W257-F261 WeakPolarHBondContact O-CB 3.45Å; W257-F261 PolarHBondContact O-N 3.38Å; S258-F261 PolarHBondContact O-N 2.81Å; F261-G264 PolarHBondContact O-N 3.35Å; F261-A265 HydrophobicContact CZ-CB 4.5Å; F261-A265 WeakPolarHBondContact O-CB 3.44Å; F261-A265 PolarHBondContact O-N 2.96Å; F261-I386 HydrophobicContact CD1-CG2 3.51Å; F261-I386 HydrophobicContact CE1-CG2 3.76Å; F261-I386 HydrophobicContact CG-CG2 4.45Å; F261-F390 HydrophobicContact CE1-CB 4.29Å; F261-F390 HydrophobicContact CE1-CD1 4.48Å; F261-F390 AromaticContact CE1-CD2 3.62Å; F261-F390 HydrophobicContact CE1-CD2 3.62Å; F261-F390 HydrophobicContact CE1-CE2 4.04Å; F261-F390 AromaticContact CE1-CG 3.87Å; F261-F390 HydrophobicContact CE1-CG 3.87Å; F261-F390 HydrophobicContact CZ-CB 4.02Å; F261-F390 HydrophobicContact CZ-CD1 4.14Å; F261-F390 HydrophobicContact CZ-CD2 4.05Å; F261-F390 AromaticContact CZ-CG 3.79Å; F261-F390 HydrophobicContact CZ-CG 3.79Å; F261-F391 HydrophobicContact CD1-CE2 4.24Å; F261-F391 HydrophobicContact CD2-CE2 4.16Å; F261-F391 AromaticContact CD2-CZ 3.67Å; F261-F391 HydrophobicContact CD2-CZ 3.67Å; F261-F391 HydrophobicContact CE1-CE2 4.11Å; F261-F391 HydrophobicContact CE1-CZ 4.44Å; F261-F391 HydrophobicContact CE2-CE2 4.04Å; F261-F391 AromaticContact CE2-CZ 3.54Å; F261-F391 HydrophobicContact CE2-CZ 3.54Å; F261-F391 HydrophobicContact CG-CE2 4.26Å; F261-F391 HydrophobicContact CG-CZ 4.18Å; F261-F391 HydrophobicContact CZ-CE2 4.01Å; F261-F391 AromaticContact CZ-CZ 3.96Å; F261-F391 HydrophobicContact CZ-CZ 3.96Å |
| 262 | L | 94.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.9 | -74.2 | 178.2 | 0 | 0 | 0 | 112.1 | S258 E259 G264 A265 I266 L303 L378 I381 I386 | S258-L262 WeakPolarHBondContact O-CG 3.5Å; S258-L262 PolarHBondContact O-N 3.24Å; E259-L262 PolarHBondContact O-N 3.08Å; L262-G264 VanDerWaalsContact C-N 3.29Å; L262-G264 PolarHBondContact O-N 3.37Å; L262-A265 PolarHBondContact O-N 3.39Å; L262-I266 WeakPolarHBondContact O-CB 3.48Å; L262-I266 WeakPolarHBondContact O-CD1 3.3Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.14Å; L262-L303 HydrophobicContact CD2-CD1 3.82Å; L262-L378 HydrophobicContact CB-CD2 3.98Å; L262-L378 HydrophobicContact CD1-CB 4.38Å; L262-L378 HydrophobicContact CD1-CD2 4.13Å; L262-I381 HydrophobicContact CD1-CB 4.06Å; L262-I381 HydrophobicContact CD1-CD1 4.02Å; L262-I381 HydrophobicContact CD1-CG2 4.27Å; L262-I386 HydrophobicContact CD1-CD1 3.8Å; L262-I386 HydrophobicContact CD2-CD1 4.32Å; L262-I386 HydrophobicContact CD2-CG1 4.41Å; L262-I386 HydrophobicContact CG-CD1 3.88Å; L262-I386 HydrophobicContact CG-CG1 4.49Å |
| 263 | L | 95.1 | Very high | 86 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 174.4 | -73.7 | 172.5 | 0 | 0 | 0 | 111.4 | E259 Q267 F310 F320 M323 K324 V327 L378 | E259-L263 WeakPolarHBondContact O-CB 3.41Å; E259-L263 WeakPolarHBondContact O-CG 3.49Å; E259-L263 PolarHBondContact O-N 3.01Å; L263-Q267 WeakPolarHBondContact O-CB 3.45Å; L263-Q267 PolarHBondContact O-N 3.25Å; L263-F310 HydrophobicContact CD2-CE1 3.49Å; L263-F310 VanDerWaalsContact CD2-CE1 3.49Å; L263-F310 HydrophobicContact CD2-CZ 3.69Å; L263-F320 HydrophobicContact CD2-CD1 4.19Å; L263-F320 HydrophobicContact CD2-CE1 4.25Å; L263-M323 HydrophobicContact CD1-CB 4.32Å; L263-M323 HydrophobicContact CD2-CB 4.45Å; L263-K324 HydrophobicContact CB-CG 4.17Å; L263-K324 HydrophobicContact CD1-CB 4.49Å; L263-K324 HydrophobicContact CD1-CG 3.91Å; L263-V327 HydrophobicContact CD1-CG1 4.29Å; L263-V327 HydrophobicContact CD1-CG2 3.8Å; L263-L378 HydrophobicContact CD1-CD1 4.35Å; L263-L378 HydrophobicContact CD2-CD1 3.94Å; L263-L378 HydrophobicContact CG-CD1 3.9Å |
| 264 | G | 91.2 | Very high | 83.9 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L260 F261 L262 I266 Q267 W268 | L260-G264 PolarHBondContact O-N 2.82Å; F261-G264 PolarHBondContact O-N 3.35Å; L262-G264 VanDerWaalsContact C-N 3.29Å; L262-G264 PolarHBondContact O-N 3.37Å; G264-I266 PolarHBondContact O-N 3.28Å; G264-Q267 PolarHBondContact O-N 3.23Å; G264-W268 WeakPolarHBondContact O-CB 3.21Å; G264-W268 VanDerWaalsContact O-CD1 3.25Å; G264-W268 PolarHBondContact O-N 3.21Å |
| 265 | A | 89.6 | Confident | 82 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.3 | -37.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L227 F261 L262 S269 L270 | L227-A265 HydrophobicContact CD1-CB 4.21Å; F261-A265 HydrophobicContact CZ-CB 4.5Å; F261-A265 WeakPolarHBondContact O-CB 3.44Å; F261-A265 PolarHBondContact O-N 2.96Å; L262-A265 PolarHBondContact O-N 3.39Å; A265-S269 PolarHBondContact O-N 3.25Å; A265-L270 HydrophobicContact CB-CB 4.09Å; A265-L270 HydrophobicContact CB-CD2 3.94Å; A265-L270 PolarHBondContact O-N 2.89Å |
| 266 | I | 90 | Very high | 79.9 | Confident | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67 | -52.6 | 173.5 | -66.5 | 162.8 | 0 | 0 | 0 | 110.2 | L262 G264 W268 S269 I307 F310 F320 L378 | L262-I266 WeakPolarHBondContact O-CB 3.48Å; L262-I266 WeakPolarHBondContact O-CD1 3.3Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.14Å; G264-I266 PolarHBondContact O-N 3.28Å; I266-W268 PolarHBondContact O-N 3.35Å; I266-S269 PolarHBondContact O-N 3.38Å; I266-S269 VanDerWaalsContact O-N 3.12Å; I266-I307 HydrophobicContact CG1-CG1 3.9Å; I266-F310 HydrophobicContact CD1-CD2 3.92Å; I266-F310 HydrophobicContact CD1-CE2 4.05Å; I266-F310 HydrophobicContact CD1-CG 4.16Å; I266-F310 HydrophobicContact CD1-CZ 4.42Å; I266-F310 HydrophobicContact CG2-CB 3.54Å; I266-F310 HydrophobicContact CG2-CD1 4.11Å; I266-F310 HydrophobicContact CG2-CG 3.89Å; I266-F320 HydrophobicContact CB-CE1 4.41Å; I266-F320 HydrophobicContact CG2-CE1 4.03Å; I266-F320 HydrophobicContact CG2-CZ 3.8Å; I266-L378 HydrophobicContact CD1-CD2 4.1Å |
| 267 | Q | 89.1 | Confident | 77.9 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 13% | 0.131 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | -175.9 | -179.2 | -170.2 | -17.2 | 0 | 0 | 112.2 | E181 L263 G264 S269 F320 | E181-Q267 PolarHBondContact OE1-NE2 2.81Å; E181-Q267 PolarHBondContact OE1-OE1 3Å; L263-Q267 WeakPolarHBondContact O-CB 3.45Å; L263-Q267 PolarHBondContact O-N 3.25Å; G264-Q267 PolarHBondContact O-N 3.23Å; Q267-S269 PolarHBondContact O-N 2.87Å; Q267-F320 HydrophobicContact CB-CD1 3.93Å; Q267-F320 HydrophobicContact CB-CD2 3.97Å; Q267-F320 HydrophobicContact CB-CE1 3.94Å; Q267-F320 HydrophobicContact CB-CE2 3.97Å; Q267-F320 HydrophobicContact CB-CG 3.96Å; Q267-F320 HydrophobicContact CB-CZ 3.97Å; Q267-F320 HydrophobicContact CG-CB 4.35Å; Q267-F320 HydrophobicContact CG-CD1 4.4Å; Q267-F320 HydrophobicContact CG-CD2 3.71Å; Q267-F320 HydrophobicContact CG-CE2 4.05Å; Q267-F320 HydrophobicContact CG-CG 3.91Å |
| 268 | W | 83.8 | Confident | 75.8 | Confident | 79 Ų | 79 | 31.1 Ų | 31.1 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 5.7 | 179.5 | -63.7 | 110.1 | 0 | 0 | 0 | 113.3 | K185 L227 G264 I266 L270 | K185-W268 HydrophobicContact CB-CH2 4.25Å; K185-W268 HydrophobicContact CB-CZ2 4.21Å; K185-W268 HydrophobicContact CD-CH2 3.59Å; K185-W268 HydrophobicContact CD-CZ2 4.39Å; K185-W268 HydrophobicContact CD-CZ3 4.15Å; K185-W268 HydrophobicContact CG-CH2 3.58Å; K185-W268 HydrophobicContact CG-CZ2 3.98Å; K185-W268 HydrophobicContact CG-CZ3 4.14Å; L227-W268 HydrophobicContact CD2-CB 4.07Å; L227-W268 HydrophobicContact CD2-CG 4.13Å; G264-W268 WeakPolarHBondContact O-CB 3.21Å; G264-W268 VanDerWaalsContact O-CD1 3.25Å; G264-W268 PolarHBondContact O-N 3.21Å; I266-W268 PolarHBondContact O-N 3.35Å; W268-L270 VanDerWaalsContact C-N 3.28Å; W268-L270 PolarHBondContact O-N 3.14Å |
| 269 | S | 70.4 | Confident | 73.7 | Confident | 70 Ų | 70 | 32.9 Ų | 32.9 | 49% | 0.49 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 50.3 | 179 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | A265 I266 Q267 | A265-S269 PolarHBondContact O-N 3.25Å; I266-S269 PolarHBondContact O-N 3.38Å; I266-S269 VanDerWaalsContact O-N 3.12Å; Q267-S269 PolarHBondContact O-N 2.87Å |
| 270 | L | 65.5 | Low | 71.6 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | trans | -46.2 | 132.4 | 168.9 | -176.7 | 71.3 | 0 | 0 | 0 | 107.8 | T223 L227 A265 W268 L272 F390 | T223-L270 HydrophobicContact CG2-CD1 3.47Å; T223-L270 VanDerWaalsContact CG2-CD1 3.47Å; L227-L270 HydrophobicContact CD1-CB 4.2Å; L227-L270 HydrophobicContact CD1-CD1 3.92Å; L227-L270 HydrophobicContact CD1-CD2 4.07Å; L227-L270 HydrophobicContact CD1-CG 4.3Å; A265-L270 HydrophobicContact CB-CB 4.09Å; A265-L270 HydrophobicContact CB-CD2 3.94Å; A265-L270 PolarHBondContact O-N 2.89Å; W268-L270 VanDerWaalsContact C-N 3.28Å; W268-L270 PolarHBondContact O-N 3.14Å; L270-L272 HydrophobicContact CB-CG 4.23Å; L270-L272 HydrophobicContact CD2-CD2 3.79Å; L270-L272 HydrophobicContact CD2-CG 4.17Å; L270-L272 HydrophobicContact CG-CD2 4.25Å; L270-L272 HydrophobicContact CG-CG 4.22Å; L270-L272 WeakPolarHBondContact O-CG 3.25Å; L270-L272 PolarHBondContact O-N 2.94Å; L270-F390 HydrophobicContact CD2-CE1 4.24Å | ||
| 271 | P | 58.4 | Low | 69.4 | Low | 62 Ų | 62 | 40.2 Ų | 40.2 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | trans | -75.4 | 62.3 | -172 | 29.9 | -35.4 | 0 | 0 | 0 | 112 | D273 S274 C275 | P271-D273 PolarHBondContact O-N 2.9Å; P271-S274 PolarHBondContact O-N 3.47Å; P271-C275 PolarHBondContact O-N 3.39Å | ||
| 272 | L | 60.5 | Low | 67.2 | Low | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -63.5 | -27.5 | 175.5 | -65.2 | 171.5 | 0 | 0 | 0 | 111.2 | L270 S274 C275 L278 I307 F390 | L270-L272 HydrophobicContact CB-CG 4.23Å; L270-L272 HydrophobicContact CD2-CD2 3.79Å; L270-L272 HydrophobicContact CD2-CG 4.17Å; L270-L272 HydrophobicContact CG-CD2 4.25Å; L270-L272 HydrophobicContact CG-CG 4.22Å; L270-L272 WeakPolarHBondContact O-CG 3.25Å; L270-L272 PolarHBondContact O-N 2.94Å; L272-S274 PolarHBondContact O-N 3.12Å; L272-C275 WeakPolarHBondContact O-CB 3.47Å; L272-C275 PolarHBondContact O-N 3.48Å; L272-L278 HydrophobicContact CB-CD1 3.93Å; L272-L278 HydrophobicContact CD2-CD1 3.91Å; L272-L278 WeakPolarHBondContact O-CD1 3.47Å; L272-I307 HydrophobicContact CB-CD1 4.32Å; L272-I307 HydrophobicContact CD1-CD1 3.42Å; L272-I307 VanDerWaalsContact CD1-CD1 3.42Å; L272-I307 HydrophobicContact CD1-CG1 4.28Å; L272-I307 HydrophobicContact CG-CD1 4.48Å; L272-F390 HydrophobicContact CD2-CE1 3.41Å; L272-F390 VanDerWaalsContact CD2-CE1 3.41Å; L272-F390 HydrophobicContact CD2-CZ 3.51Å |
| 273 | D | 54.1 | Low | 65.1 | Low | 96 Ų | 96 | 53.7 Ų | 53.7 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -65.9 | -23.5 | 172.4 | -60.7 | -54.3 | 0 | 0 | 0 | 112.3 | P271 R311 | P271-D273 PolarHBondContact O-N 2.9Å; D273-R311 IonicContact OD1-NH1 2.76Å; D273-R311 IonicContact OD2-CZ 3.5Å; D273-R311 IonicContact OD2-NH1 2.77Å; D273-R311 PolarHBondContact OD2-NH1 3.35Å; D273-R311 IonicContact OD2-NH2 3.51Å; D273-R311 PolarHBondContact OD2-NH2 3Å |
| 274 | S | 52.5 | Low | 62.6 | Low | 85 Ų | 85 | 58.5 Ų | 58.5 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -99.2 | 2.7 | 175.8 | -53.8 | 0 | 0 | 0 | 0 | 113.8 | P271 L272 P276 | P271-S274 PolarHBondContact O-N 3.47Å; L272-S274 PolarHBondContact O-N 3.12Å; S274-P276 VanDerWaalsContact O-CD 3.27Å; S274-P276 WeakPolarHBondContact O-CD 3.43Å |
| 275 | C | 53.7 | Low | 60.6 | Low | 7 Ų | 7 | 62.8 Ų | 62.8 | 5% | 0.047 | 40% | 0.397 | C | S | . | . | trans | -78.4 | 117.4 | -176.9 | -170.8 | 0 | 0 | 0 | 0 | 111 | I220 P271 L272 L277 L278 A279 | I220-C275 HydrophobicContact CD1-CB 3.79Å; P271-C275 PolarHBondContact O-N 3.39Å; L272-C275 WeakPolarHBondContact O-CB 3.47Å; L272-C275 PolarHBondContact O-N 3.48Å; C275-L277 PolarHBondContact O-N 2.97Å; C275-L277 VanDerWaalsContact O-N 3.14Å; C275-L278 HydrophobicContact CB-CB 4.14Å; C275-L278 HydrophobicContact CB-CD1 3.96Å; C275-L278 HydrophobicContact CB-CG 3.9Å; C275-L278 WeakPolarHBondContact O-CA 3.36Å; C275-L278 PolarHBondContact O-N 3.24Å; C275-A279 PolarHBondContact O-N 2.7Å | ||
| 276 | P | 53.5 | Low | 58.6 | Low | 80 Ų | 80 | 66 Ų | 66 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -61.2 | -25.2 | 178.3 | -22.5 | 33.9 | 0 | 0 | 0 | 113.5 | L217 S274 L278 A279 | L217-P276 HydrophobicContact CD1-CG 4.26Å; S274-P276 VanDerWaalsContact O-CD 3.27Å; S274-P276 WeakPolarHBondContact O-CD 3.43Å; P276-L278 PolarHBondContact O-N 3.24Å; P276-A279 WeakPolarHBondContact O-CB 3.48Å; P276-A279 PolarHBondContact O-N 2.76Å |
| 277 | L | 53.1 | Low | 56.8 | Low | 72 Ų | 72 | 69.8 Ų | 69.8 | 38% | 0.377 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -72.8 | -14.2 | 175.3 | -54.4 | 176.2 | 0 | 0 | 0 | 113 | C275 L389 | C275-L277 PolarHBondContact O-N 2.97Å; C275-L277 VanDerWaalsContact O-N 3.14Å; L277-L389 HydrophobicContact CB-CD2 4.31Å |
| 278 | L | 52 | Low | 55.1 | Low | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.042 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -107.4 | -1.7 | 176.2 | -56.4 | -177.7 | 0 | 0 | 0 | 112.4 | L272 C275 P276 T300 L303 R304 L389 | L272-L278 HydrophobicContact CB-CD1 3.93Å; L272-L278 HydrophobicContact CD2-CD1 3.91Å; L272-L278 WeakPolarHBondContact O-CD1 3.47Å; C275-L278 HydrophobicContact CB-CB 4.14Å; C275-L278 HydrophobicContact CB-CD1 3.96Å; C275-L278 HydrophobicContact CB-CG 3.9Å; C275-L278 WeakPolarHBondContact O-CA 3.36Å; C275-L278 PolarHBondContact O-N 3.24Å; P276-L278 PolarHBondContact O-N 3.24Å; L278-T300 HydrophobicContact CB-CG2 3.86Å; L278-T300 HydrophobicContact CD2-CG2 3.85Å; L278-T300 VanDerWaalsContact CD2-OG1 3.28Å; L278-T300 WeakPolarHBondContact CD2-OG1 3.39Å; L278-T300 HydrophobicContact CG-CG2 4.45Å; L278-T300 VanDerWaalsContact O-CG2 3.24Å; L278-T300 WeakPolarHBondContact O-CG2 3.25Å; L278-L303 HydrophobicContact CD1-CD2 3.94Å; L278-L303 HydrophobicContact CD2-CD2 4.05Å; L278-R304 PolarHBondContact O-NH2 3.14Å; L278-L389 HydrophobicContact CD2-CD1 4.33Å |
| 279 | A | 51.9 | Low | 53.7 | Low | 53 Ų | 53 | 70.5 Ų | 70.5 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -64.6 | 148 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | C275 P276 | C275-A279 PolarHBondContact O-N 2.7Å; P276-A279 WeakPolarHBondContact O-CB 3.48Å; P276-A279 PolarHBondContact O-N 2.76Å |
| 280 | P | 52.3 | Low | 52.9 | Low | 101 Ų | 101 | 72.1 Ų | 72.1 | 66% | 0.656 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 134.8 | 170.1 | -19.1 | 31.8 | 0 | 0 | 0 | 109.5 | E282 | P280-E282 PolarHBondContact O-N 2.94Å; P280-E282 VanDerWaalsContact O-N 3.13Å |
| 281 | P | 51.7 | Low | 52.7 | Low | 67 Ų | 67 | 74.2 Ų | 74.2 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 117.2 | 176.6 | 25.5 | -32.5 | 0 | 0 | 0 | 109.5 | A283 | P281-A283 PolarHBondContact O-N 2.98Š|
| 282 | E | 49.5 | Very low | 52.7 | Low | 178 Ų | 178 | 81.2 Ų | 81.2 | 83% | 0.832 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 131.6 | 170.6 | -68.2 | -166.8 | 147.6 | 0 | 0 | 109.5 | P280 S284 | P280-E282 PolarHBondContact O-N 2.94Å; P280-E282 VanDerWaalsContact O-N 3.13Å; E282-S284 VanDerWaalsContact C-N 3.33Å; E282-S284 PolarHBondContact O-N 2.65Å; E282-S284 PolarHBondContact O-OG 3.33Å |
| 283 | A | 48.8 | Very low | 52.9 | Low | 111 Ų | 111 | 84.9 Ų | 84.9 | 92% | 0.917 | 56% | 0.559 | S | S | * | * | trans | -70.9 | 83.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P281 | P281-A283 PolarHBondContact O-N 2.98Š| ||
| 284 | S | 43.2 | Very low | 53.5 | Low | 100 Ų | 100 | 84.3 Ų | 84.3 | 70% | 0.699 | 56% | 0.559 | S | S | * | * | trans | -105.2 | 121.1 | 170.4 | 40.2 | 0 | 0 | 0 | 0 | 109.5 | E282 | E282-S284 VanDerWaalsContact C-N 3.33Å; E282-S284 PolarHBondContact O-N 2.65Å; E282-S284 PolarHBondContact O-OG 3.33Å | ||
| 285 | A | 49.1 | Very low | 54.3 | Low | 97 Ų | 97 | 85 Ų | 85 | 80% | 0.802 | 56% | 0.556 | S | S | * | * | trans | -89.5 | 126.1 | -162.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 286 | A | 46.9 | Very low | 54.9 | Low | 72 Ų | 72 | 85.9 Ų | 85.9 | 60% | 0.595 | 56% | 0.563 | S | S | * | * | trans | -164 | 88.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G288 A289 | A286-G288 VanDerWaalsContact C-N 3.31Å; A286-G288 PolarHBondContact O-N 3.47Å; A286-A289 PolarHBondContact O-N 3.42Å | ||
| 287 | G | 51.9 | Low | 55.8 | Low | 89 Ų | 89 | 84.2 Ų | 84.2 | 92% | 0.918 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.5 | -52 | 141.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||
| 288 | G | 53.7 | Low | 56.9 | Low | 68 Ų | 68 | 86.9 Ų | 86.9 | 70% | 0.701 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | -19.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A286 Q290 | A286-G288 VanDerWaalsContact C-N 3.31Å; A286-G288 PolarHBondContact O-N 3.47Å; G288-Q290 VanDerWaalsContact C-N 3.29Å |
| 289 | A | 53.9 | Low | 57.9 | Low | 53 Ų | 53 | 89.4 Ų | 89.4 | 44% | 0.438 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -75.1 | -21.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A286 G291 R292 L293 | A286-A289 PolarHBondContact O-N 3.42Å; A289-G291 PolarHBondContact O-N 3.03Å; A289-R292 PolarHBondContact O-N 2.97Å; A289-R292 VanDerWaalsContact O-N 3.14Å; A289-L293 HydrophobicContact CB-CD1 3.91Å; A289-L293 HydrophobicContact CB-CG 4.46Å; A289-L293 WeakPolarHBondContact O-CG 3.2Å; A289-L293 PolarHBondContact O-N 2.93Å |
| 290 | Q | 55.5 | Low | 59.1 | Low | 104 Ų | 104 | 87.3 Ų | 87.3 | 49% | 0.486 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -50 | -48.9 | -170.8 | -142.6 | 81.1 | 10 | 0 | 0 | 113.3 | G288 L293 T294 | G288-Q290 VanDerWaalsContact C-N 3.29Å; Q290-L293 PolarHBondContact O-N 3.35Å; Q290-T294 PolarHBondContact O-N 3.23Å; Q290-T294 PolarHBondContact O-OG1 2.82Å |
| 291 | G | 59.6 | Low | 60.5 | Low | 49 Ų | 49 | 90.8 Ų | 90.8 | 51% | 0.505 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69 | -34.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A289 T294 L295 | A289-G291 PolarHBondContact O-N 3.03Å; G291-T294 WeakPolarHBondContact CA-OG1 3.43Å; G291-T294 PolarHBondContact O-OG1 3.42Å; G291-L295 PolarHBondContact O-N 3.44Å; G291-L295 VanDerWaalsContact O-N 3.17Å |
| 292 | R | 59.8 | Low | 62.2 | Low | 210 Ų | 210 | 90 Ų | 90 | 79% | 0.792 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.2 | -33.6 | 173.9 | -72.9 | 179.5 | 64.7 | -168.5 | -1 | 111.3 | A289 A296 | A289-R292 PolarHBondContact O-N 2.97Å; A289-R292 VanDerWaalsContact O-N 3.14Å; R292-A296 VanDerWaalsContact O-CB 3.29Å; R292-A296 WeakPolarHBondContact O-CB 3.21Å; R292-A296 PolarHBondContact O-N 2.99Å |
| 293 | L | 63.4 | Low | 63.8 | Low | 83 Ų | 83 | 81.6 Ų | 81.6 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.1 | -39.8 | 176 | -68.6 | 168.5 | 0 | 0 | 0 | 112.1 | A289 Q290 S297 | A289-L293 HydrophobicContact CB-CD1 3.91Å; A289-L293 HydrophobicContact CB-CG 4.46Å; A289-L293 WeakPolarHBondContact O-CG 3.2Å; A289-L293 PolarHBondContact O-N 2.93Å; Q290-L293 PolarHBondContact O-N 3.35Å; L293-S297 VanDerWaalsContact O-CB 3.3Å; L293-S297 WeakPolarHBondContact O-CB 3.21Å; L293-S297 PolarHBondContact O-N 3.03Å |
| 294 | T | 67.3 | Low | 65.5 | Low | 84 Ų | 84 | 80.9 Ų | 80.9 | 52% | 0.515 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 173.3 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | Q290 G291 S297 M298 | Q290-T294 PolarHBondContact O-N 3.23Å; Q290-T294 PolarHBondContact O-OG1 2.82Å; G291-T294 WeakPolarHBondContact CA-OG1 3.43Å; G291-T294 PolarHBondContact O-OG1 3.42Å; T294-S297 WeakPolarHBondContact O-CB 3.17Å; T294-S297 PolarHBondContact O-N 3.44Å; T294-M298 WeakPolarHBondContact O-CG 3.42Å; T294-M298 PolarHBondContact O-N 2.71Å |
| 295 | L | 69.1 | Low | 67.7 | Low | 99 Ų | 99 | 80.7 Ų | 80.7 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 175.3 | -177.5 | 62.3 | 0 | 0 | 0 | 111.4 | G291 S297 M298 E299 | G291-L295 PolarHBondContact O-N 3.44Å; G291-L295 VanDerWaalsContact O-N 3.17Å; L295-S297 VanDerWaalsContact C-N 3.27Å; L295-S297 PolarHBondContact O-N 3.36Å; L295-M298 PolarHBondContact O-N 2.86Å; L295-M298 VanDerWaalsContact O-N 3.1Å; L295-E299 HydrophobicContact CD1-CG 4.48Å; L295-E299 WeakPolarHBondContact O-CG 3.47Å; L295-E299 PolarHBondContact O-N 3.06Å |
| 296 | A | 67.7 | Low | 69.6 | Low | 25 Ų | 25 | 76.1 Ų | 76.1 | 21% | 0.207 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.6 | -36.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | R292 T300 R385 | R292-A296 VanDerWaalsContact O-CB 3.29Å; R292-A296 WeakPolarHBondContact O-CB 3.21Å; R292-A296 PolarHBondContact O-N 2.99Å; A296-T300 VanDerWaalsContact O-CB 3.28Å; A296-T300 WeakPolarHBondContact O-CB 3.35Å; A296-T300 PolarHBondContact O-N 2.89Å; A296-T300 PolarHBondContact O-OG1 3.36Å; A296-T300 VanDerWaalsContact O-OG1 3.08Å; A296-R385 PolarHBondContact O-NH2 3.15Å |
| 297 | S | 71.4 | Confident | 71.6 | Confident | 46 Ų | 46 | 73 Ų | 73 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 175 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | L293 T294 L295 R301 | L293-S297 VanDerWaalsContact O-CB 3.3Å; L293-S297 WeakPolarHBondContact O-CB 3.21Å; L293-S297 PolarHBondContact O-N 3.03Å; T294-S297 WeakPolarHBondContact O-CB 3.17Å; T294-S297 PolarHBondContact O-N 3.44Å; L295-S297 VanDerWaalsContact C-N 3.27Å; L295-S297 PolarHBondContact O-N 3.36Å; S297-R301 WeakPolarHBondContact O-CB 3.47Å; S297-R301 PolarHBondContact O-N 2.9Å |
| 298 | M | 75.8 | Confident | 73.4 | Confident | 128 Ų | 128 | 72 Ų | 72 | 63% | 0.631 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.9 | -46.3 | 174.6 | -71.1 | -179.7 | 66.7 | 0 | 0 | 112.1 | T294 L295 T300 R301 V302 | T294-M298 WeakPolarHBondContact O-CG 3.42Å; T294-M298 PolarHBondContact O-N 2.71Å; L295-M298 PolarHBondContact O-N 2.86Å; L295-M298 VanDerWaalsContact O-N 3.1Å; M298-T300 VanDerWaalsContact C-N 3.34Å; M298-T300 PolarHBondContact O-N 3.36Å; M298-R301 WeakPolarHBondContact O-CB 3.45Å; M298-R301 PolarHBondContact O-N 3.37Å; M298-R301 VanDerWaalsContact O-N 3.1Å; M298-V302 WeakPolarHBondContact O-CG2 3.43Å; M298-V302 PolarHBondContact O-N 3.44Å |
| 299 | E | 73.6 | Confident | 75.3 | Confident | 60 Ų | 60 | 73.3 Ų | 73.3 | 28% | 0.28 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 177.1 | -67.7 | 168.2 | 147.5 | 0 | 0 | 111.4 | L295 R301 V302 L303 R385 | L295-E299 HydrophobicContact CD1-CG 4.48Å; L295-E299 WeakPolarHBondContact O-CG 3.47Å; L295-E299 PolarHBondContact O-N 3.06Å; E299-R301 VanDerWaalsContact C-N 3.33Å; E299-R301 PolarHBondContact O-N 3.37Å; E299-V302 PolarHBondContact O-N 2.76Å; E299-L303 PolarHBondContact O-N 3.01Å; E299-R385 WeakPolarHBondContact OE2-CD 3.27Å; E299-R385 IonicContact OE2-CZ 3.19Å; E299-R385 IonicContact OE2-NE 2.67Å; E299-R385 PolarHBondContact OE2-NE 3.32Å; E299-R385 IonicContact OE2-NH1 2.9Å; E299-R385 PolarHBondContact OE2-NH1 2.67Å; E299-R385 IonicContact OE2-NH2 3.25Å |
| 300 | T | 76 | Confident | 77.2 | Confident | 9 Ų | 9 | 70.9 Ų | 70.9 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 172.3 | -76.6 | 0 | 0 | 0 | 0 | 112.6 | L278 A296 M298 R304 | L278-T300 HydrophobicContact CB-CG2 3.86Å; L278-T300 HydrophobicContact CD2-CG2 3.85Å; L278-T300 VanDerWaalsContact CD2-OG1 3.28Å; L278-T300 WeakPolarHBondContact CD2-OG1 3.39Å; L278-T300 HydrophobicContact CG-CG2 4.45Å; L278-T300 VanDerWaalsContact O-CG2 3.24Å; L278-T300 WeakPolarHBondContact O-CG2 3.25Å; A296-T300 VanDerWaalsContact O-CB 3.28Å; A296-T300 WeakPolarHBondContact O-CB 3.35Å; A296-T300 PolarHBondContact O-N 2.89Å; A296-T300 PolarHBondContact O-OG1 3.36Å; A296-T300 VanDerWaalsContact O-OG1 3.08Å; M298-T300 VanDerWaalsContact C-N 3.34Å; M298-T300 PolarHBondContact O-N 3.36Å; T300-R304 PolarHBondContact O-N 3.49Å; T300-R304 VanDerWaalsContact O-N 3.09Å |
| 301 | R | 83.1 | Confident | 78.8 | Confident | 175 Ų | 175 | 71.2 Ų | 71.2 | 66% | 0.66 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 176.5 | -178.1 | -178.4 | 173 | -174 | -0.8 | 111.6 | S297 M298 E299 R304 E305 | S297-R301 WeakPolarHBondContact O-CB 3.47Å; S297-R301 PolarHBondContact O-N 2.9Å; M298-R301 WeakPolarHBondContact O-CB 3.45Å; M298-R301 PolarHBondContact O-N 3.37Å; M298-R301 VanDerWaalsContact O-N 3.1Å; E299-R301 VanDerWaalsContact C-N 3.33Å; E299-R301 PolarHBondContact O-N 3.37Å; R301-R304 PolarHBondContact O-N 3.14Å; R301-E305 WeakPolarHBondContact O-CB 3.33Å; R301-E305 PolarHBondContact O-N 3.48Å |
| 302 | V | 86.1 | Confident | 80.4 | Confident | 49 Ų | 49 | 73 Ų | 73 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | M298 E299 R304 E305 T306 F380 I381 | M298-V302 WeakPolarHBondContact O-CG2 3.43Å; M298-V302 PolarHBondContact O-N 3.44Å; E299-V302 PolarHBondContact O-N 2.76Å; V302-R304 PolarHBondContact O-N 3.45Å; V302-E305 PolarHBondContact O-N 2.87Å; V302-T306 WeakPolarHBondContact O-CB 3.48Å; V302-T306 PolarHBondContact O-N 3.03Å; V302-T306 PolarHBondContact O-OG1 3.47Å; V302-F380 HydrophobicContact CG1-CB 3.96Å; V302-I381 HydrophobicContact CG1-CG1 4.11Å |
| 303 | L | 84.3 | Confident | 82 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.6 | -50.5 | 174.5 | 174.5 | 61.2 | 0 | 0 | 0 | 111.7 | L262 L278 E299 E305 T306 I307 I381 F390 | L262-L303 HydrophobicContact CD2-CD1 3.82Å; L278-L303 HydrophobicContact CD1-CD2 3.94Å; L278-L303 HydrophobicContact CD2-CD2 4.05Å; E299-L303 PolarHBondContact O-N 3.01Å; L303-E305 VanDerWaalsContact C-N 3.34Å; L303-E305 PolarHBondContact O-N 3.41Å; L303-T306 PolarHBondContact O-N 2.94Å; L303-I307 HydrophobicContact CD1-CD1 3.83Å; L303-I307 HydrophobicContact CD1-CG1 4.24Å; L303-I307 HydrophobicContact CG-CD1 3.83Å; L303-I307 VanDerWaalsContact O-CD1 3.3Å; L303-I307 WeakPolarHBondContact O-CD1 3.28Å; L303-I307 VanDerWaalsContact O-CG1 3.26Å; L303-I307 WeakPolarHBondContact O-CG1 3.38Å; L303-I307 PolarHBondContact O-N 3.15Å; L303-I381 HydrophobicContact CB-CD1 3.97Å; L303-I381 HydrophobicContact CD1-CD1 3.73Å; L303-I381 HydrophobicContact CG-CD1 4.46Å; L303-F390 HydrophobicContact CD2-CE2 4.43Å; L303-F390 HydrophobicContact CD2-CZ 4.16Å |
| 304 | R | 83.8 | Confident | 83.3 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 36% | 0.362 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 177.9 | -173.4 | 179 | -70.1 | 114.7 | 1.8 | 112.5 | L278 T300 R301 V302 I307 S308 | L278-R304 PolarHBondContact O-NH2 3.14Å; T300-R304 PolarHBondContact O-N 3.49Å; T300-R304 VanDerWaalsContact O-N 3.09Å; R301-R304 PolarHBondContact O-N 3.14Å; V302-R304 PolarHBondContact O-N 3.45Å; R304-I307 PolarHBondContact O-N 3.14Å; R304-S308 WeakPolarHBondContact O-CB 3.4Å; R304-S308 PolarHBondContact O-N 2.8Å |
| 305 | E | 89 | Confident | 84.6 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 178.7 | -171.9 | 173.6 | 157 | 0 | 0 | 112.3 | R301 V302 L303 S308 R309 | R301-E305 WeakPolarHBondContact O-CB 3.33Å; R301-E305 PolarHBondContact O-N 3.48Å; V302-E305 PolarHBondContact O-N 2.87Å; L303-E305 VanDerWaalsContact C-N 3.34Å; L303-E305 PolarHBondContact O-N 3.41Å; E305-S308 PolarHBondContact O-N 2.91Å; E305-R309 WeakPolarHBondContact O-CG 3.21Å; E305-R309 PolarHBondContact O-N 3.13Å; E305-R309 PolarHBondContact O-NE 3.28Å |
| 306 | T | 90.2 | Very high | 85.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.6 | -51.1 | 171.7 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | V302 L303 S308 R309 F310 S377 L378 | V302-T306 WeakPolarHBondContact O-CB 3.48Å; V302-T306 PolarHBondContact O-N 3.03Å; V302-T306 PolarHBondContact O-OG1 3.47Å; L303-T306 PolarHBondContact O-N 2.94Å; T306-S308 VanDerWaalsContact C-N 3.29Å; T306-S308 PolarHBondContact O-N 2.84Å; T306-R309 PolarHBondContact O-N 3.35Å; T306-R309 VanDerWaalsContact O-N 3.13Å; T306-R309 PolarHBondContact OG1-NH2 3.47Å; T306-F310 HydrophobicContact CG2-CD2 4.22Å; T306-F310 HydrophobicContact CG2-CE2 4.02Å; T306-F310 WeakPolarHBondContact O-CD2 3.26Å; T306-F310 PolarHBondContact O-N 3.39Å; T306-S377 PolarHBondContact OG1-O 3Å; T306-L378 HydrophobicContact CG2-CD2 3.93Å |
| 307 | I | 88.3 | Confident | 86.7 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56 | -44.8 | 175.9 | -61.8 | 152.6 | 0 | 0 | 0 | 111.2 | I266 L272 L303 R304 R309 F310 R311 | I266-I307 HydrophobicContact CG1-CG1 3.9Å; L272-I307 HydrophobicContact CB-CD1 4.32Å; L272-I307 HydrophobicContact CD1-CD1 3.42Å; L272-I307 VanDerWaalsContact CD1-CD1 3.42Å; L272-I307 HydrophobicContact CD1-CG1 4.28Å; L272-I307 HydrophobicContact CG-CD1 4.48Å; L303-I307 HydrophobicContact CD1-CD1 3.83Å; L303-I307 HydrophobicContact CD1-CG1 4.24Å; L303-I307 HydrophobicContact CG-CD1 3.83Å; L303-I307 VanDerWaalsContact O-CD1 3.3Å; L303-I307 WeakPolarHBondContact O-CD1 3.28Å; L303-I307 VanDerWaalsContact O-CG1 3.26Å; L303-I307 WeakPolarHBondContact O-CG1 3.38Å; L303-I307 PolarHBondContact O-N 3.15Å; R304-I307 PolarHBondContact O-N 3.14Å; I307-R309 VanDerWaalsContact C-N 3.33Å; I307-R309 PolarHBondContact O-N 2.63Å; I307-F310 PolarHBondContact O-N 2.99Å; I307-R311 HydrophobicContact CG2-CG 4.33Å; I307-R311 WeakPolarHBondContact O-CG 3.44Å; I307-R311 PolarHBondContact O-N 3.47Å |
| 308 | S | 89.1 | Confident | 87.6 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 47% | 0.469 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 178.6 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | R304 E305 T306 R311 A312 | R304-S308 WeakPolarHBondContact O-CB 3.4Å; R304-S308 PolarHBondContact O-N 2.8Å; E305-S308 PolarHBondContact O-N 2.91Å; T306-S308 VanDerWaalsContact C-N 3.29Å; T306-S308 PolarHBondContact O-N 2.84Å; S308-R311 PolarHBondContact O-N 2.76Å; S308-A312 VanDerWaalsContact O-CB 3.23Å; S308-A312 WeakPolarHBondContact O-CB 3.46Å; S308-A312 PolarHBondContact O-N 3.36Å |
| 309 | R | 93.4 | Very high | 88.6 | Confident | 95 Ų | 95 | 52.8 Ų | 52.8 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 177.3 | -73.2 | 177.6 | -71.7 | -169.2 | -2.5 | 113 | E305 T306 I307 L313 L374 | E305-R309 WeakPolarHBondContact O-CG 3.21Å; E305-R309 PolarHBondContact O-N 3.13Å; E305-R309 PolarHBondContact O-NE 3.28Å; T306-R309 PolarHBondContact O-N 3.35Å; T306-R309 VanDerWaalsContact O-N 3.13Å; T306-R309 PolarHBondContact OG1-NH2 3.47Å; I307-R309 VanDerWaalsContact C-N 3.33Å; I307-R309 PolarHBondContact O-N 2.63Å; R309-L313 PolarHBondContact O-N 3.46Å; R309-L313 VanDerWaalsContact O-N 3.08Å; R309-L374 HydrophobicContact CB-CD2 3.72Å |
| 310 | F | 93.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -46 | 173.3 | -83.5 | -102.8 | 0 | 0 | 0 | 111.8 | L263 I266 T306 I307 A312 L313 A314 V315 F320 M323 L374 L378 | L263-F310 HydrophobicContact CD2-CE1 3.49Å; L263-F310 VanDerWaalsContact CD2-CE1 3.49Å; L263-F310 HydrophobicContact CD2-CZ 3.69Å; I266-F310 HydrophobicContact CD1-CD2 3.92Å; I266-F310 HydrophobicContact CD1-CE2 4.05Å; I266-F310 HydrophobicContact CD1-CG 4.16Å; I266-F310 HydrophobicContact CD1-CZ 4.42Å; I266-F310 HydrophobicContact CG2-CB 3.54Å; I266-F310 HydrophobicContact CG2-CD1 4.11Å; I266-F310 HydrophobicContact CG2-CG 3.89Å; T306-F310 HydrophobicContact CG2-CD2 4.22Å; T306-F310 HydrophobicContact CG2-CE2 4.02Å; T306-F310 WeakPolarHBondContact O-CD2 3.26Å; T306-F310 PolarHBondContact O-N 3.39Å; I307-F310 PolarHBondContact O-N 2.99Å; F310-A312 PolarHBondContact O-N 3.28Å; F310-L313 PolarHBondContact O-N 3.48Å; F310-A314 PolarHBondContact O-N 2.87Å; F310-V315 HydrophobicContact CD1-CB 4.47Å; F310-V315 HydrophobicContact CD1-CG2 3.92Å; F310-F320 AromaticContact CD1-CE1 3.72Å; F310-F320 HydrophobicContact CD1-CE1 3.72Å; F310-F320 AromaticContact CD1-CZ 3.97Å; F310-F320 HydrophobicContact CD1-CZ 3.97Å; F310-F320 HydrophobicContact CE1-CE1 4.01Å; F310-M323 HydrophobicContact CD1-CE 4.49Å; F310-M323 HydrophobicContact CE1-CE 3.43Å; F310-M323 VanDerWaalsContact CE1-CE 3.43Å; F310-M323 HydrophobicContact CE1-SD 4.23Å; F310-M323 HydrophobicContact CZ-CE 3.71Å; F310-L374 HydrophobicContact CD1-CD1 3.89Å; F310-L374 HydrophobicContact CD2-CB 4.33Å; F310-L374 HydrophobicContact CD2-CD1 4.01Å; F310-L374 HydrophobicContact CD2-CD2 4.26Å; F310-L374 HydrophobicContact CD2-CG 4.44Å; F310-L374 HydrophobicContact CE1-CB 4.32Å; F310-L374 HydrophobicContact CE1-CD1 4.01Å; F310-L374 HydrophobicContact CE2-CB 3.71Å; F310-L374 HydrophobicContact CE2-CD1 4.15Å; F310-L374 HydrophobicContact CE2-CD2 4.39Å; F310-L374 HydrophobicContact CE2-CG 4.3Å; F310-L374 HydrophobicContact CG-CD1 3.9Å; F310-L374 HydrophobicContact CZ-CB 3.7Å; F310-L374 HydrophobicContact CZ-CD1 4.15Å; F310-L374 HydrophobicContact CZ-CG 4.49Å; F310-L378 HydrophobicContact CE2-CD2 4.04Å; F310-L378 HydrophobicContact CE2-CG 4.49Å; F310-L378 HydrophobicContact CZ-CD1 4.37Å; F310-L378 HydrophobicContact CZ-CD2 4.16Å; F310-L378 HydrophobicContact CZ-CG 4.4Å |
| 311 | R | 90.2 | Very high | 90.5 | Very high | 111 Ų | 111 | 50.1 Ų | 50.1 | 42% | 0.419 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 175.9 | -71.4 | 179.3 | 179 | 167.6 | 0.1 | 111.3 | D273 I307 S308 L313 A314 | D273-R311 IonicContact OD1-NH1 2.76Å; D273-R311 IonicContact OD2-CZ 3.5Å; D273-R311 IonicContact OD2-NH1 2.77Å; D273-R311 PolarHBondContact OD2-NH1 3.35Å; D273-R311 IonicContact OD2-NH2 3.51Å; D273-R311 PolarHBondContact OD2-NH2 3Å; I307-R311 HydrophobicContact CG2-CG 4.33Å; I307-R311 WeakPolarHBondContact O-CG 3.44Å; I307-R311 PolarHBondContact O-N 3.47Å; S308-R311 PolarHBondContact O-N 2.76Å; R311-L313 PolarHBondContact O-N 2.67Å; R311-A314 PolarHBondContact O-N 2.88Å |
| 312 | A | 92.1 | Very high | 91.2 | Very high | 87 Ų | 87 | 41.9 Ų | 41.9 | 72% | 0.719 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.1 | -29.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S308 F310 A314 | S308-A312 VanDerWaalsContact O-CB 3.23Å; S308-A312 WeakPolarHBondContact O-CB 3.46Å; S308-A312 PolarHBondContact O-N 3.36Å; F310-A312 PolarHBondContact O-N 3.28Å; A312-A314 VanDerWaalsContact C-N 3.26Å |
| 313 | L | 93.8 | Very high | 91.8 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -79.2 | -11 | 172.3 | -166 | 57.7 | 0 | 0 | 0 | 112.4 | R309 F310 R311 V315 R367 K370 L371 L374 | R309-L313 PolarHBondContact O-N 3.46Å; R309-L313 VanDerWaalsContact O-N 3.08Å; F310-L313 PolarHBondContact O-N 3.48Å; R311-L313 PolarHBondContact O-N 2.67Å; L313-V315 HydrophobicContact CB-CG2 4.21Å; L313-V315 HydrophobicContact CD2-CG2 4.41Å; L313-V315 HydrophobicContact CG-CG2 4.47Å; L313-R367 PolarHBondContact O-NH1 3.23Å; L313-R367 PolarHBondContact O-NH2 2.83Å; L313-R367 VanDerWaalsContact O-NH2 3.13Å; L313-K370 HydrophobicContact CD1-CB 4.25Å; L313-K370 HydrophobicContact CD1-CD 4.09Å; L313-K370 HydrophobicContact CD2-CB 3.94Å; L313-L371 HydrophobicContact CD2-CD2 3.74Å; L313-L371 HydrophobicContact CD2-CG 3.94Å; L313-L374 HydrophobicContact CD2-CD1 3.75Å; L313-L374 HydrophobicContact CD2-CG 4.41Å |
| 314 | A | 92 | Very high | 92.4 | Very high | 69 Ų | 69 | 40 Ų | 40 | 57% | 0.57 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 58 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F310 R311 A312 D316 R367 | F310-A314 PolarHBondContact O-N 2.87Å; R311-A314 PolarHBondContact O-N 2.88Å; A312-A314 VanDerWaalsContact C-N 3.26Å; A314-D316 PolarHBondContact O-N 3.33Å; A314-R367 PolarHBondContact O-NH2 3Å |
| 315 | V | 94.3 | Very high | 93 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | trans | -62.7 | 125.9 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | F310 L313 E319 F320 M323 L371 L374 | F310-V315 HydrophobicContact CD1-CB 4.47Å; F310-V315 HydrophobicContact CD1-CG2 3.92Å; L313-V315 HydrophobicContact CB-CG2 4.21Å; L313-V315 HydrophobicContact CD2-CG2 4.41Å; L313-V315 HydrophobicContact CG-CG2 4.47Å; V315-E319 WeakPolarHBondContact CA-OE2 3.45Å; V315-E319 HydrophobicContact CG1-CB 3.66Å; V315-F320 HydrophobicContact CB-CD2 4.15Å; V315-F320 HydrophobicContact CB-CE2 3.68Å; V315-F320 HydrophobicContact CB-CZ 3.9Å; V315-F320 HydrophobicContact CG1-CD1 4.25Å; V315-F320 HydrophobicContact CG1-CD2 3.69Å; V315-F320 HydrophobicContact CG1-CE1 4.27Å; V315-F320 HydrophobicContact CG1-CE2 3.72Å; V315-F320 HydrophobicContact CG1-CG 3.96Å; V315-F320 HydrophobicContact CG1-CZ 4Å; V315-F320 VanDerWaalsContact O-CE2 3.26Å; V315-F320 WeakPolarHBondContact O-CE2 3.49Å; V315-M323 HydrophobicContact CG1-SD 4.02Å; V315-L371 HydrophobicContact CB-CD2 4.44Å; V315-L371 HydrophobicContact CG1-CD2 4.03Å; V315-L371 HydrophobicContact CG2-CD2 3.76Å; V315-L374 HydrophobicContact CG2-CD1 3.99Å | ||
| 316 | D | 90.8 | Very high | 93.5 | Very high | 32 Ų | 32 | 31.5 Ų | 31.5 | 17% | 0.171 | 18% | 0.184 | C | C | . | . | trans | -87.9 | 164.9 | -177.8 | 79.8 | 52.9 | 0 | 0 | 0 | 112.7 | A314 T318 E319 F320 H356 H361 | A314-D316 PolarHBondContact O-N 3.33Å; D316-T318 VanDerWaalsContact C-N 3.25Å; D316-T318 PolarHBondContact O-N 3.2Å; D316-T318 WeakPolarHBondContact OD1-CA 3.4Å; D316-T318 VanDerWaalsContact OD1-CB 3.28Å; D316-T318 WeakPolarHBondContact OD1-CB 3.36Å; D316-T318 PolarHBondContact OD1-N 3.49Å; D316-E319 PolarHBondContact N-OE2 3.48Å; D316-E319 PolarHBondContact O-N 3.2Å; D316-E319 VanDerWaalsContact O-N 3.14Å; D316-E319 PolarHBondContact OD1-N 3.26Å; D316-F320 WeakPolarHBondContact O-CD2 3.39Å; D316-F320 PolarHBondContact O-N 3.33Å; D316-H356 IonicContact OD1-CE1 3.67Å; D316-H356 IonicContact OD1-NE2 3.57Å; D316-H356 PolarHBondContact OD1-NE2 2.73Å; D316-H356 IonicContact OD2-CD2 2.69Å; D316-H356 IonicContact OD2-CE1 3.24Å; D316-H356 IonicContact OD2-NE2 3.52Å; D316-H356 PolarHBondContact OD2-NE2 3.15Å; D316-H361 IonicContact OD2-CE1 2.77Å | ||
| 317 | P | 89.9 | Confident | 93.8 | Very high | 81 Ų | 81 | 31.6 Ų | 31.6 | 53% | 0.526 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.4 | -28.9 | -177.2 | -26.5 | 36.4 | 0 | 0 | 0 | 115.2 | A321 | P317-A321 WeakPolarHBondContact O-CB 3.42Å; P317-A321 PolarHBondContact O-N 3.28Å |
| 318 | T | 90.9 | Very high | 94.3 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -76 | -39.8 | 176.4 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | M174 I178 D316 A321 C322 | M174-T318 HydrophobicContact CG-CG2 4.47Å; M174-T318 HydrophobicContact SD-CG2 4.38Å; I178-T318 HydrophobicContact CD1-CG2 4.13Å; D316-T318 VanDerWaalsContact C-N 3.25Å; D316-T318 PolarHBondContact O-N 3.2Å; D316-T318 WeakPolarHBondContact OD1-CA 3.4Å; D316-T318 VanDerWaalsContact OD1-CB 3.28Å; D316-T318 WeakPolarHBondContact OD1-CB 3.36Å; D316-T318 PolarHBondContact OD1-N 3.49Å; T318-A321 PolarHBondContact O-N 2.96Å; T318-C322 PolarHBondContact O-N 2.96Å; T318-C322 PolarHBondContact O-SG 3.14Å |
| 319 | E | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 172 | -64.6 | 176.2 | 148.9 | 0 | 0 | 110.8 | V315 D316 A321 C322 M323 L353 H361 R367 L371 | V315-E319 WeakPolarHBondContact CA-OE2 3.45Å; V315-E319 HydrophobicContact CG1-CB 3.66Å; D316-E319 PolarHBondContact N-OE2 3.48Å; D316-E319 PolarHBondContact O-N 3.2Å; D316-E319 VanDerWaalsContact O-N 3.14Å; D316-E319 PolarHBondContact OD1-N 3.26Å; E319-A321 PolarHBondContact O-N 3.15Å; E319-C322 PolarHBondContact O-N 3.3Å; E319-M323 WeakPolarHBondContact O-CB 3.45Å; E319-M323 VanDerWaalsContact O-CG 3.24Å; E319-M323 WeakPolarHBondContact O-CG 3.46Å; E319-M323 PolarHBondContact O-N 3.1Å; E319-L353 HydrophobicContact CB-CD1 3.97Å; E319-L353 HydrophobicContact CG-CD1 3.95Å; E319-H361 IonicContact OE1-CE1 3Å; E319-H361 IonicContact OE1-ND1 3.17Å; E319-R367 IonicContact OE1-CZ 3.72Å; E319-R367 IonicContact OE1-NE 3.6Å; E319-R367 PolarHBondContact OE1-NE 2.99Å; E319-R367 IonicContact OE1-NH2 3.62Å; E319-R367 IonicContact OE2-CZ 2.94Å; E319-R367 IonicContact OE2-NE 3.75Å; E319-R367 IonicContact OE2-NH2 2.65Å; E319-R367 PolarHBondContact OE2-NH2 3.02Å; E319-L371 HydrophobicContact CB-CD2 4.39Å; E319-L371 HydrophobicContact CG-CD1 4.21Å; E319-L371 WeakPolarHBondContact OE1-CD1 3.49Å |
| 320 | F | 95.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 6% | 0.057 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 172.1 | -86.2 | -67.5 | 0 | 0 | 0 | 112.6 | L263 I266 Q267 F310 V315 D316 C322 M323 K324 | L263-F320 HydrophobicContact CD2-CD1 4.19Å; L263-F320 HydrophobicContact CD2-CE1 4.25Å; I266-F320 HydrophobicContact CB-CE1 4.41Å; I266-F320 HydrophobicContact CG2-CE1 4.03Å; I266-F320 HydrophobicContact CG2-CZ 3.8Å; Q267-F320 HydrophobicContact CB-CD1 3.93Å; Q267-F320 HydrophobicContact CB-CD2 3.97Å; Q267-F320 HydrophobicContact CB-CE1 3.94Å; Q267-F320 HydrophobicContact CB-CE2 3.97Å; Q267-F320 HydrophobicContact CB-CG 3.96Å; Q267-F320 HydrophobicContact CB-CZ 3.97Å; Q267-F320 HydrophobicContact CG-CB 4.35Å; Q267-F320 HydrophobicContact CG-CD1 4.4Å; Q267-F320 HydrophobicContact CG-CD2 3.71Å; Q267-F320 HydrophobicContact CG-CE2 4.05Å; Q267-F320 HydrophobicContact CG-CG 3.91Å; F310-F320 AromaticContact CD1-CE1 3.72Å; F310-F320 HydrophobicContact CD1-CE1 3.72Å; F310-F320 AromaticContact CD1-CZ 3.97Å; F310-F320 HydrophobicContact CD1-CZ 3.97Å; F310-F320 HydrophobicContact CE1-CE1 4.01Å; V315-F320 HydrophobicContact CB-CD2 4.15Å; V315-F320 HydrophobicContact CB-CE2 3.68Å; V315-F320 HydrophobicContact CB-CZ 3.9Å; V315-F320 HydrophobicContact CG1-CD1 4.25Å; V315-F320 HydrophobicContact CG1-CD2 3.69Å; V315-F320 HydrophobicContact CG1-CE1 4.27Å; V315-F320 HydrophobicContact CG1-CE2 3.72Å; V315-F320 HydrophobicContact CG1-CG 3.96Å; V315-F320 HydrophobicContact CG1-CZ 4Å; V315-F320 VanDerWaalsContact O-CE2 3.26Å; V315-F320 WeakPolarHBondContact O-CE2 3.49Å; D316-F320 WeakPolarHBondContact O-CD2 3.39Å; D316-F320 PolarHBondContact O-N 3.33Å; F320-C322 VanDerWaalsContact C-N 3.34Å; F320-C322 PolarHBondContact O-N 2.84Å; F320-M323 PolarHBondContact O-N 3.3Å; F320-K324 WeakPolarHBondContact O-CG 3.43Å; F320-K324 PolarHBondContact O-N 3.41Å |
| 321 | A | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L177 I178 P317 T318 E319 A325 | L177-A321 HydrophobicContact CB-CB 4.11Å; I178-A321 HydrophobicContact CD1-CB 4.25Å; P317-A321 WeakPolarHBondContact O-CB 3.42Å; P317-A321 PolarHBondContact O-N 3.28Å; T318-A321 PolarHBondContact O-N 2.96Å; E319-A321 PolarHBondContact O-N 3.15Å; A321-A325 PolarHBondContact O-N 3.36Å; A321-A325 VanDerWaalsContact O-N 3.17Å |
| 322 | C | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.5 | -40 | 173 | -61.4 | 0 | 0 | 0 | 0 | 112 | T318 E319 F320 A325 L326 L353 | T318-C322 PolarHBondContact O-N 2.96Å; T318-C322 PolarHBondContact O-SG 3.14Å; E319-C322 PolarHBondContact O-N 3.3Å; F320-C322 VanDerWaalsContact C-N 3.34Å; F320-C322 PolarHBondContact O-N 2.84Å; C322-A325 WeakPolarHBondContact O-CB 3.13Å; C322-A325 PolarHBondContact O-N 3.31Å; C322-L326 WeakPolarHBondContact O-CG 3.11Å; C322-L326 PolarHBondContact O-N 2.93Å; C322-L353 HydrophobicContact CB-CB 3.97Å; C322-L353 HydrophobicContact CB-CD1 3.99Å; C322-L353 HydrophobicContact CB-CG 4.44Å |
| 323 | M | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -37.3 | 176.8 | -73.7 | 176 | 79 | 0 | 0 | 112.2 | L263 F310 V315 E319 F320 A325 L326 V327 L353 L371 L374 L375 | L263-M323 HydrophobicContact CD1-CB 4.32Å; L263-M323 HydrophobicContact CD2-CB 4.45Å; F310-M323 HydrophobicContact CD1-CE 4.49Å; F310-M323 HydrophobicContact CE1-CE 3.43Å; F310-M323 VanDerWaalsContact CE1-CE 3.43Å; F310-M323 HydrophobicContact CE1-SD 4.23Å; F310-M323 HydrophobicContact CZ-CE 3.71Å; V315-M323 HydrophobicContact CG1-SD 4.02Å; E319-M323 WeakPolarHBondContact O-CB 3.45Å; E319-M323 VanDerWaalsContact O-CG 3.24Å; E319-M323 WeakPolarHBondContact O-CG 3.46Å; E319-M323 PolarHBondContact O-N 3.1Å; F320-M323 PolarHBondContact O-N 3.3Å; M323-A325 VanDerWaalsContact C-N 3.34Å; M323-L326 PolarHBondContact O-N 2.92Å; M323-V327 PolarHBondContact O-N 2.87Å; M323-V327 VanDerWaalsContact O-N 3.1Å; M323-L353 HydrophobicContact CG-CD2 4.25Å; M323-L371 WeakPolarHBondContact CE-O 3.29Å; M323-L371 HydrophobicContact SD-CB 4.45Å; M323-L371 HydrophobicContact SD-CD2 3.94Å; M323-L374 HydrophobicContact CE-CB 3.96Å; M323-L374 HydrophobicContact CE-CD1 4.35Å; M323-L375 HydrophobicContact CB-CD2 4.09Å; M323-L375 HydrophobicContact CE-CD2 3.46Å; M323-L375 VanDerWaalsContact CE-CD2 3.46Å; M323-L375 HydrophobicContact CE-CG 3.99Å; M323-L375 HydrophobicContact CG-CD2 4.28Å |
| 324 | K | 97.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 170.5 | -71.6 | 174.4 | -167.8 | 173.7 | 0 | 111.8 | E181 W234 L260 L263 F320 V327 L328 | E181-K324 IonicContact OE1-NZ 3.01Å; E181-K324 PolarHBondContact OE1-NZ 3.44Å; E181-K324 IonicContact OE2-NZ 3.42Å; E181-K324 PolarHBondContact OE2-NZ 2.89Å; W234-K324 HydrophobicContact CD2-CD 4.48Å; W234-K324 HydrophobicContact CH2-CB 3.41Å; W234-K324 VanDerWaalsContact CH2-CB 3.41Å; W234-K324 HydrophobicContact CZ2-CB 3.7Å; W234-K324 HydrophobicContact CZ2-CD 4.28Å; W234-K324 HydrophobicContact CZ3-CB 3.86Å; L260-K324 HydrophobicContact CD2-CB 3.72Å; L260-K324 HydrophobicContact CD2-CG 4Å; L260-K324 WeakPolarHBondContact CD2-O 3.3Å; L263-K324 HydrophobicContact CB-CG 4.17Å; L263-K324 HydrophobicContact CD1-CB 4.49Å; L263-K324 HydrophobicContact CD1-CG 3.91Å; F320-K324 WeakPolarHBondContact O-CG 3.43Å; F320-K324 PolarHBondContact O-N 3.41Å; K324-V327 WeakPolarHBondContact O-CG2 3.24Å; K324-V327 PolarHBondContact O-N 2.82Å; K324-L328 WeakPolarHBondContact O-CB 3.4Å; K324-L328 PolarHBondContact O-N 3.21Å |
| 325 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F173 L177 W234 A321 C322 M323 V327 L328 F329 S349 | F173-A325 HydrophobicContact CZ-CB 4.47Å; L177-A325 HydrophobicContact CD1-CB 4.15Å; L177-A325 HydrophobicContact CD2-CB 4.01Å; W234-A325 HydrophobicContact CH2-CB 4.34Å; A321-A325 PolarHBondContact O-N 3.36Å; A321-A325 VanDerWaalsContact O-N 3.17Å; C322-A325 WeakPolarHBondContact O-CB 3.13Å; C322-A325 PolarHBondContact O-N 3.31Å; M323-A325 VanDerWaalsContact C-N 3.34Å; A325-V327 PolarHBondContact O-N 3.25Å; A325-L328 PolarHBondContact O-N 3.21Å; A325-F329 HydrophobicContact CB-CD2 4.05Å; A325-F329 HydrophobicContact CB-CE2 4Å; A325-F329 WeakPolarHBondContact O-CD2 3.5Å; A325-F329 PolarHBondContact O-N 2.82Å; A325-S349 VanDerWaalsContact CB-OG 3.32Å; A325-S349 WeakPolarHBondContact CB-OG 3.42Å |
| 326 | L | 98.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -37.2 | 176.5 | -70.3 | 171 | 0 | 0 | 0 | 113.9 | C322 M323 Q346 Q350 L353 L372 L375 | C322-L326 WeakPolarHBondContact O-CG 3.11Å; C322-L326 PolarHBondContact O-N 2.93Å; M323-L326 PolarHBondContact O-N 2.92Å; L326-Q346 HydrophobicContact CD2-CG 3.96Å; L326-Q350 HydrophobicContact CD2-CB 4.35Å; L326-Q350 HydrophobicContact CD2-CG 3.41Å; L326-Q350 VanDerWaalsContact CD2-CG 3.41Å; L326-L353 HydrophobicContact CD1-CD2 3.78Å; L326-L372 HydrophobicContact CD1-CD2 3.8Å; L326-L375 HydrophobicContact CB-CD1 3.94Å; L326-L375 HydrophobicContact CD1-CD1 4.04Å |
| 327 | V | 97.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -80.3 | -21.5 | 175.9 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | A256 E259 L260 L263 M323 K324 A325 K330 L375 | A256-V327 VanDerWaalsContact CB-O 3.23Å; A256-V327 WeakPolarHBondContact CB-O 3.43Å; E259-V327 HydrophobicContact CB-CB 3.96Å; E259-V327 HydrophobicContact CB-CG1 4.09Å; E259-V327 HydrophobicContact CB-CG2 4.06Å; L260-V327 HydrophobicContact CD2-CG2 3.71Å; L260-V327 HydrophobicContact CG-CG2 3.98Å; L263-V327 HydrophobicContact CD1-CG1 4.29Å; L263-V327 HydrophobicContact CD1-CG2 3.8Å; M323-V327 PolarHBondContact O-N 2.87Å; M323-V327 VanDerWaalsContact O-N 3.1Å; K324-V327 WeakPolarHBondContact O-CG2 3.24Å; K324-V327 PolarHBondContact O-N 2.82Å; A325-V327 PolarHBondContact O-N 3.25Å; V327-K330 VanDerWaalsContact O-CE 3.23Å; V327-K330 WeakPolarHBondContact O-CE 3.32Å; V327-L375 HydrophobicContact CG1-CD2 3.8Å |
| 328 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -82 | -43.8 | 176.6 | 179.3 | 60.4 | 0 | 0 | 0 | 112.5 | W234 A235 L238 F241 L252 A256 L260 K324 A325 K330 | W234-L328 HydrophobicContact CZ3-CD2 3.76Å; A235-L328 HydrophobicContact CB-CD2 3.93Å; L238-L328 HydrophobicContact CD1-CD2 4.48Å; F241-L328 HydrophobicContact CD2-CD1 4.4Å; F241-L328 HydrophobicContact CD2-CD2 3.73Å; F241-L328 HydrophobicContact CD2-CG 4.17Å; F241-L328 HydrophobicContact CE2-CD1 3.72Å; F241-L328 HydrophobicContact CE2-CD2 3.86Å; F241-L328 HydrophobicContact CE2-CG 3.97Å; F241-L328 HydrophobicContact CG-CD2 4.4Å; F241-L328 HydrophobicContact CZ-CD1 4.29Å; L252-L328 HydrophobicContact CB-CD1 4.15Å; A256-L328 HydrophobicContact CB-CD1 4.1Å; L260-L328 HydrophobicContact CD1-CD1 4.23Å; K324-L328 WeakPolarHBondContact O-CB 3.4Å; K324-L328 PolarHBondContact O-N 3.21Å; A325-L328 PolarHBondContact O-N 3.21Å; L328-K330 PolarHBondContact O-N 3.42Å |
| 329 | F | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -89.1 | 85.2 | -178.7 | -59.5 | -58.6 | 0 | 0 | 0 | 110.2 | F173 V240 F241 L244 A325 P331 V342 L345 Q346 | F173-F329 HydrophobicContact CE2-CE2 4.44Å; F173-F329 HydrophobicContact CZ-CE2 4.03Å; V240-F329 HydrophobicContact CG2-CZ 4.07Å; F241-F329 HydrophobicContact CB-CE1 4.5Å; F241-F329 HydrophobicContact CB-CZ 4.44Å; F241-F329 AromaticContact CD2-CE1 3.92Å; F241-F329 HydrophobicContact CD2-CE1 3.92Å; F241-F329 HydrophobicContact CD2-CZ 4.45Å; L244-F329 HydrophobicContact CD1-CD1 4.48Å; L244-F329 HydrophobicContact CD1-CE1 4.11Å; A325-F329 HydrophobicContact CB-CD2 4.05Å; A325-F329 HydrophobicContact CB-CE2 4Å; A325-F329 WeakPolarHBondContact O-CD2 3.5Å; A325-F329 PolarHBondContact O-N 2.82Å; F329-P331 WeakPolarHBondContact O-CD 3.4Å; F329-V342 HydrophobicContact CB-CG1 4.06Å; F329-L345 HydrophobicContact CB-CB 4.31Å; F329-L345 HydrophobicContact CD1-CB 3.9Å; F329-L345 HydrophobicContact CD1-CD1 3.89Å; F329-L345 HydrophobicContact CD2-CB 3.9Å; F329-L345 HydrophobicContact CE1-CB 4.18Å; F329-L345 HydrophobicContact CE1-CD1 3.57Å; F329-L345 HydrophobicContact CE1-CG 4.48Å; F329-L345 HydrophobicContact CE2-CB 4.19Å; F329-L345 HydrophobicContact CG-CB 3.77Å; F329-L345 HydrophobicContact CZ-CB 4.34Å; F329-L345 HydrophobicContact CZ-CD1 4.03Å; F329-Q346 HydrophobicContact CB-CB 4.13Å; F329-Q346 WeakPolarHBondContact O-CB 3.45Å; F329-Q346 WeakPolarHBondContact O-CG 3.16Å; F329-Q346 PolarHBondContact O-NE2 3.25Å | ||
| 330 | K | 96.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | trans | -108.8 | 91.2 | 178.6 | -72.6 | 170.7 | 173.7 | 177.8 | 0 | 110.6 | L252 E255 E259 V327 L328 E332 T333 | L252-K330 HydrophobicContact CD2-CB 4.46Å; E255-K330 HydrophobicContact CG-CD 3.67Å; E255-K330 PolarHBondContact O-NZ 2.8Å; E255-K330 IonicContact OE1-NZ 3.68Å; E255-K330 PolarHBondContact OE1-NZ 2.68Å; E259-K330 WeakPolarHBondContact OE1-CE 3.46Å; E259-K330 IonicContact OE1-NZ 3.81Å; E259-K330 PolarHBondContact OE1-NZ 3.4Å; V327-K330 VanDerWaalsContact O-CE 3.23Å; V327-K330 WeakPolarHBondContact O-CE 3.32Å; L328-K330 PolarHBondContact O-N 3.42Å; K330-E332 WeakPolarHBondContact CA-OE2 3.48Å; K330-E332 PolarHBondContact O-N 3.2Å; K330-T333 VanDerWaalsContact CB-OG1 3.24Å; K330-T333 WeakPolarHBondContact CB-OG1 3.35Å; K330-T333 WeakPolarHBondContact O-CB 3.48Å; K330-T333 PolarHBondContact O-N 3.28Å; K330-T333 VanDerWaalsContact O-N 3.13Å; K330-T333 PolarHBondContact O-OG1 3.5Å | ||
| 331 | P | 97.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 47 Ų | 47 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.4 | -177.7 | 28 | -36.1 | 0 | 0 | 0 | 113.6 | F329 T333 P339 V342 E343 | F329-P331 WeakPolarHBondContact O-CD 3.4Å; P331-T333 PolarHBondContact O-N 2.69Å; P331-P339 WeakPolarHBondContact CB-O 3.37Å; P331-V342 HydrophobicContact CB-CB 4.36Å; P331-V342 HydrophobicContact CB-CG1 4.26Å; P331-E343 HydrophobicContact CB-CB 3.78Å; P331-E343 HydrophobicContact CG-CB 3.94Å; P331-E343 HydrophobicContact CG-CG 4.27Å |
| 332 | E | 96.3 | Very high | 96.9 | Very high | 119 Ų | 119 | 47 Ų | 47 | 56% | 0.556 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -6 | 175.9 | 74.6 | -83.2 | -159.2 | 0 | 0 | 114.1 | K330 R334 | K330-E332 WeakPolarHBondContact CA-OE2 3.48Å; K330-E332 PolarHBondContact O-N 3.2Å; E332-R334 PolarHBondContact O-N 2.82Å |
| 333 | T | 96.6 | Very high | 96.9 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | trans | -66.6 | 131.3 | -177.2 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | I251 E255 K330 P331 G335 L336 | I251-T333 HydrophobicContact CG2-CG2 3.45Å; I251-T333 VanDerWaalsContact CG2-CG2 3.45Å; E255-T333 HydrophobicContact CB-CG2 4.01Å; E255-T333 HydrophobicContact CG-CG2 3.98Å; K330-T333 VanDerWaalsContact CB-OG1 3.24Å; K330-T333 WeakPolarHBondContact CB-OG1 3.35Å; K330-T333 WeakPolarHBondContact O-CB 3.48Å; K330-T333 PolarHBondContact O-N 3.28Å; K330-T333 VanDerWaalsContact O-N 3.13Å; K330-T333 PolarHBondContact O-OG1 3.5Å; P331-T333 PolarHBondContact O-N 2.69Å; T333-G335 PolarHBondContact O-N 2.91Å; T333-L336 WeakPolarHBondContact O-CG 3.27Å | ||
| 334 | R | 95.9 | Very high | 96.9 | Very high | 236 Ų | 236 | 54.5 Ų | 54.5 | 89% | 0.891 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 130.9 | -175.5 | -66.4 | -176.4 | 176.8 | -164.6 | -0.9 | 111.4 | E332 | E332-R334 PolarHBondContact O-N 2.82Š|
| 335 | G | 94.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 54.1 Ų | 54.1 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | 6.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R247 I251 T333 | R247-G335 PolarHBondContact NH1-O 2.87Å; R247-G335 PolarHBondContact NH2-O 2.73Å; I251-G335 WeakPolarHBondContact CD1-O 3.43Å; T333-G335 PolarHBondContact O-N 2.91Å |
| 336 | L | 96.6 | Very high | 96.9 | Very high | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | trans | -57 | 148.8 | 165.4 | -60 | 174.9 | 0 | 0 | 0 | 111 | D248 I251 L252 T333 P339 V342 | D248-L336 HydrophobicContact CB-CD2 3.85Å; I251-L336 HydrophobicContact CB-CD2 4.34Å; I251-L336 HydrophobicContact CG2-CD2 3.92Å; L252-L336 HydrophobicContact CD1-CD2 4.44Å; L252-L336 HydrophobicContact CD2-CD1 4.19Å; L252-L336 HydrophobicContact CD2-CD2 3.87Å; L252-L336 HydrophobicContact CG-CD2 3.85Å; T333-L336 WeakPolarHBondContact O-CG 3.27Å; L336-P339 HydrophobicContact CB-CB 4.47Å; L336-P339 HydrophobicContact CD1-CB 4.34Å; L336-V342 HydrophobicContact CD1-CB 4.5Å; L336-V342 HydrophobicContact CD1-CG2 4.28Å | ||
| 337 | K | 96.6 | Very high | 96.8 | Very high | 144 Ų | 144 | 59.5 Ų | 59.5 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -88.2 | -36.1 | 171.1 | -69.7 | -174.9 | 172.5 | -168.4 | 0 | 112 | P245 D248 | P245-K337 HydrophobicContact CB-CD 4.16Å; P245-K337 HydrophobicContact CG-CB 4.27Å; D248-K337 PolarHBondContact OD1-N 3.39Å; D248-K337 WeakPolarHBondContact OD2-CA 3.3Å; D248-K337 WeakPolarHBondContact OD2-CB 3.26Å; D248-K337 PolarHBondContact OD2-N 2.71Å |
| 338 | D | 94.3 | Very high | 96.8 | Very high | 64 Ų | 64 | 61.7 Ų | 61.7 | 34% | 0.342 | 31% | 0.308 | S | S | . | . | trans | -129.4 | 72.8 | -177.3 | -167.8 | -12.6 | 0 | 0 | 0 | 111.1 | D248 E340 H341 V342 | D248-D338 PolarHBondContact OD2-N 2.84Å; D338-E340 VanDerWaalsContact C-N 3.29Å; D338-E340 PolarHBondContact O-N 2.93Å; D338-H341 HydrophobicContact CB-CB 4.38Å; D338-H341 VanDerWaalsContact CG-CB 3.43Å; D338-H341 WeakPolarHBondContact OD1-CB 3.27Å; D338-H341 PolarHBondContact OD1-N 3.09Å; D338-H341 WeakPolarHBondContact OD2-CB 3.23Å; D338-V342 WeakPolarHBondContact O-CG2 3.2Å; D338-V342 PolarHBondContact O-N 3.4Å | ||
| 339 | P | 96.6 | Very high | 96.7 | Very high | 55 Ų | 55 | 61.7 Ų | 61.7 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.4 | -28.5 | 179.1 | 28.5 | -34.7 | 0 | 0 | 0 | 112.6 | P331 L336 V342 E343 | P331-P339 WeakPolarHBondContact CB-O 3.37Å; L336-P339 HydrophobicContact CB-CB 4.47Å; L336-P339 HydrophobicContact CD1-CB 4.34Å; P339-V342 PolarHBondContact O-N 3.23Å; P339-E343 PolarHBondContact O-N 3.09Å |
| 340 | E | 97.3 | Very high | 96.7 | Very high | 155 Ų | 155 | 64.7 Ų | 64.7 | 72% | 0.724 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 178.3 | -63.8 | -176.3 | 179.6 | 0 | 0 | 111.3 | D338 V342 E343 A344 | D338-E340 VanDerWaalsContact C-N 3.29Å; D338-E340 PolarHBondContact O-N 2.93Å; E340-V342 VanDerWaalsContact C-N 3.34Å; E340-E343 PolarHBondContact O-N 3.16Å; E340-A344 PolarHBondContact O-N 3.28Å |
| 341 | H | 96.4 | Very high | 96.7 | Very high | 74 Ų | 74 | 68 Ų | 68 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.9 | -35.9 | 173.7 | -165 | 81.4 | 0 | 0 | 0 | 112.3 | D338 A344 L345 | D338-H341 HydrophobicContact CB-CB 4.38Å; D338-H341 VanDerWaalsContact CG-CB 3.43Å; D338-H341 WeakPolarHBondContact OD1-CB 3.27Å; D338-H341 PolarHBondContact OD1-N 3.09Å; D338-H341 WeakPolarHBondContact OD2-CB 3.23Å; H341-A344 PolarHBondContact O-N 2.64Å; H341-L345 WeakPolarHBondContact O-CG 3.4Å; H341-L345 PolarHBondContact O-N 3.4Å; H341-L345 VanDerWaalsContact O-N 3.15Å |
| 342 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | L244 L252 F329 P331 L336 D338 P339 E340 L345 Q346 | L244-V342 HydrophobicContact CD1-CG2 4.37Å; L244-V342 HydrophobicContact CD2-CG2 3.77Å; L252-V342 HydrophobicContact CD1-CG1 4.2Å; L252-V342 HydrophobicContact CD1-CG2 3.92Å; L252-V342 HydrophobicContact CD2-CG1 4.16Å; F329-V342 HydrophobicContact CB-CG1 4.06Å; P331-V342 HydrophobicContact CB-CB 4.36Å; P331-V342 HydrophobicContact CB-CG1 4.26Å; L336-V342 HydrophobicContact CD1-CB 4.5Å; L336-V342 HydrophobicContact CD1-CG2 4.28Å; D338-V342 WeakPolarHBondContact O-CG2 3.2Å; D338-V342 PolarHBondContact O-N 3.4Å; P339-V342 PolarHBondContact O-N 3.23Å; E340-V342 VanDerWaalsContact C-N 3.34Å; V342-L345 PolarHBondContact O-N 3.24Å; V342-Q346 PolarHBondContact O-N 3.36Å |
| 343 | E | 98.1 | Very high | 96.6 | Very high | 103 Ų | 103 | 61.2 Ų | 61.2 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 174.6 | -173.1 | 171 | -151.9 | 0 | 0 | 110.9 | P331 P339 E340 L345 Q346 D347 | P331-E343 HydrophobicContact CB-CB 3.78Å; P331-E343 HydrophobicContact CG-CB 3.94Å; P331-E343 HydrophobicContact CG-CG 4.27Å; P339-E343 PolarHBondContact O-N 3.09Å; E340-E343 PolarHBondContact O-N 3.16Å; E343-L345 VanDerWaalsContact C-N 3.28Å; E343-L345 PolarHBondContact O-N 3.12Å; E343-Q346 WeakPolarHBondContact O-CA 3.32Å; E343-Q346 WeakPolarHBondContact O-CB 3.45Å; E343-Q346 PolarHBondContact O-N 3.2Å; E343-D347 PolarHBondContact O-N 3.38Å |
| 344 | A | 96.9 | Very high | 96.6 | Very high | 54 Ų | 54 | 61.1 Ų | 61.1 | 45% | 0.446 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.7 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E340 H341 Q348 | E340-A344 PolarHBondContact O-N 3.28Å; H341-A344 PolarHBondContact O-N 2.64Å; A344-Q348 WeakPolarHBondContact O-CB 3.42Å; A344-Q348 PolarHBondContact O-N 2.74Å |
| 345 | L | 96.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.7 | -35.3 | 174.6 | -66.4 | 174.7 | 0 | 0 | 0 | 112.4 | V240 L244 F329 H341 V342 E343 S349 | V240-L345 HydrophobicContact CB-CD1 4.3Å; V240-L345 HydrophobicContact CB-CD2 3.75Å; V240-L345 HydrophobicContact CG1-CD2 4.06Å; V240-L345 HydrophobicContact CG2-CD2 4.07Å; L244-L345 HydrophobicContact CD1-CD1 4.4Å; L244-L345 HydrophobicContact CG-CD1 4.5Å; F329-L345 HydrophobicContact CB-CB 4.31Å; F329-L345 HydrophobicContact CD1-CB 3.9Å; F329-L345 HydrophobicContact CD1-CD1 3.89Å; F329-L345 HydrophobicContact CD2-CB 3.9Å; F329-L345 HydrophobicContact CE1-CB 4.18Å; F329-L345 HydrophobicContact CE1-CD1 3.57Å; F329-L345 HydrophobicContact CE1-CG 4.48Å; F329-L345 HydrophobicContact CE2-CB 4.19Å; F329-L345 HydrophobicContact CG-CB 3.77Å; F329-L345 HydrophobicContact CZ-CB 4.34Å; F329-L345 HydrophobicContact CZ-CD1 4.03Å; H341-L345 WeakPolarHBondContact O-CG 3.4Å; H341-L345 PolarHBondContact O-N 3.4Å; H341-L345 VanDerWaalsContact O-N 3.15Å; V342-L345 PolarHBondContact O-N 3.24Å; E343-L345 VanDerWaalsContact C-N 3.28Å; E343-L345 PolarHBondContact O-N 3.12Å; L345-S349 WeakPolarHBondContact O-CB 3.21Å; L345-S349 PolarHBondContact O-N 3.24Å; L345-S349 VanDerWaalsContact O-N 3.09Å; L345-S349 PolarHBondContact O-OG 3.29Å |
| 346 | Q | 97.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -49.2 | 172.9 | -165.9 | -170.9 | 88.8 | 0 | 0 | 110.9 | L326 F329 V342 E343 Q348 S349 Q350 | L326-Q346 HydrophobicContact CD2-CG 3.96Å; F329-Q346 HydrophobicContact CB-CB 4.13Å; F329-Q346 WeakPolarHBondContact O-CB 3.45Å; F329-Q346 WeakPolarHBondContact O-CG 3.16Å; F329-Q346 PolarHBondContact O-NE2 3.25Å; V342-Q346 PolarHBondContact O-N 3.36Å; E343-Q346 WeakPolarHBondContact O-CA 3.32Å; E343-Q346 WeakPolarHBondContact O-CB 3.45Å; E343-Q346 PolarHBondContact O-N 3.2Å; Q346-Q348 PolarHBondContact O-N 3.27Å; Q346-S349 CarbonylContact O-C 3.59Å; Q346-S349 WeakPolarHBondContact O-CA 3.32Å; Q346-S349 VanDerWaalsContact O-CB 3.26Å; Q346-S349 WeakPolarHBondContact O-CB 3.21Å; Q346-S349 PolarHBondContact O-N 3.21Å; Q346-Q350 PolarHBondContact O-N 3.44Å |
| 347 | D | 97.6 | Very high | 96.5 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.6 | -46 | 176.7 | -90.7 | -4.1 | 0 | 0 | 0 | 111.9 | E343 S349 Q350 V351 | E343-D347 PolarHBondContact O-N 3.38Å; D347-S349 PolarHBondContact O-N 3.29Å; D347-Q350 PolarHBondContact O-N 2.98Å; D347-Q350 VanDerWaalsContact O-N 3.15Å; D347-V351 WeakPolarHBondContact O-CG2 3.29Å; D347-V351 PolarHBondContact O-N 3.19Å |
| 348 | Q | 96.2 | Very high | 96.4 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 176.3 | -155.8 | -175.2 | 12.4 | 0 | 0 | 111.3 | L169 F173 A344 Q346 V351 M352 | L169-Q348 PolarHBondContact O-NE2 3.22Å; F173-Q348 HydrophobicContact CD1-CB 3.94Å; F173-Q348 HydrophobicContact CD1-CG 3.59Å; F173-Q348 HydrophobicContact CE1-CB 3.94Å; F173-Q348 HydrophobicContact CE1-CG 4.12Å; A344-Q348 WeakPolarHBondContact O-CB 3.42Å; A344-Q348 PolarHBondContact O-N 2.74Å; Q346-Q348 PolarHBondContact O-N 3.27Å; Q348-V351 PolarHBondContact O-N 2.96Å; Q348-M352 VanDerWaalsContact O-CG 3.28Å; Q348-M352 WeakPolarHBondContact O-CG 3.44Å; Q348-M352 PolarHBondContact O-N 2.96Å |
| 349 | S | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 175.2 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | F173 A325 L345 Q346 D347 L353 | F173-S349 WeakPolarHBondContact CE1-OG 3.44Å; A325-S349 VanDerWaalsContact CB-OG 3.32Å; A325-S349 WeakPolarHBondContact CB-OG 3.42Å; L345-S349 WeakPolarHBondContact O-CB 3.21Å; L345-S349 PolarHBondContact O-N 3.24Å; L345-S349 VanDerWaalsContact O-N 3.09Å; L345-S349 PolarHBondContact O-OG 3.29Å; Q346-S349 CarbonylContact O-C 3.59Å; Q346-S349 WeakPolarHBondContact O-CA 3.32Å; Q346-S349 VanDerWaalsContact O-CB 3.26Å; Q346-S349 WeakPolarHBondContact O-CB 3.21Å; Q346-S349 PolarHBondContact O-N 3.21Å; D347-S349 PolarHBondContact O-N 3.29Å; S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 PolarHBondContact O-N 3.18Å |
| 350 | Q | 96.9 | Very high | 96.3 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.2 | -65.3 | -170 | 30.6 | 0 | 0 | 111.6 | L326 Q346 D347 M352 L353 S354 F368 | L326-Q350 HydrophobicContact CD2-CB 4.35Å; L326-Q350 HydrophobicContact CD2-CG 3.41Å; L326-Q350 VanDerWaalsContact CD2-CG 3.41Å; Q346-Q350 PolarHBondContact O-N 3.44Å; D347-Q350 PolarHBondContact O-N 2.98Å; D347-Q350 VanDerWaalsContact O-N 3.15Å; Q350-M352 PolarHBondContact O-N 3.07Å; Q350-L353 PolarHBondContact O-N 2.94Å; Q350-S354 WeakPolarHBondContact O-CB 3.44Å; Q350-S354 PolarHBondContact O-N 3.14Å; Q350-F368 WeakPolarHBondContact O-CE2 3.45Å |
| 351 | V | 96.8 | Very high | 96 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 179.3 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | D347 Q348 S354 Q355 | D347-V351 WeakPolarHBondContact O-CG2 3.29Å; D347-V351 PolarHBondContact O-N 3.19Å; Q348-V351 PolarHBondContact O-N 2.96Å; V351-S354 PolarHBondContact O-N 2.69Å; V351-Q355 HydrophobicContact CG1-CG 4.43Å; V351-Q355 VanDerWaalsContact CG1-NE2 3.27Å; V351-Q355 WeakPolarHBondContact O-CB 3.39Å; V351-Q355 VanDerWaalsContact O-CG 3.29Å; V351-Q355 WeakPolarHBondContact O-CG 3.31Å; V351-Q355 PolarHBondContact O-N 3.49Å |
| 352 | M | 94.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 176.6 | -73.5 | -170.6 | -42.2 | 0 | 0 | 112.5 | G170 F173 M174 L177 Q348 Q350 S354 Q355 H356 | G170-M352 VanDerWaalsContact O-SD 3.33Å; F173-M352 HydrophobicContact CB-SD 4.07Å; F173-M352 HydrophobicContact CD1-CE 3.11Å; F173-M352 HydrophobicContact CD1-SD 3.49Å; F173-M352 WeakPolarHBondContact CD1-SD 3.26Å; F173-M352 HydrophobicContact CE1-CE 3.26Å; F173-M352 HydrophobicContact CE1-SD 4.25Å; F173-M352 HydrophobicContact CG-CE 3.92Å; F173-M352 HydrophobicContact CG-SD 4.06Å; F173-M352 HydrophobicContact CZ-CE 4.13Å; M174-M352 HydrophobicContact CB-SD 3.57Å; M174-M352 VanDerWaalsContact CB-SD 3.57Å; M174-M352 HydrophobicContact CE-CB 3.79Å; M174-M352 HydrophobicContact CE-CG 4.04Å; M174-M352 HydrophobicContact CE-SD 4.31Å; M174-M352 HydrophobicContact CG-SD 4.41Å; M174-M352 PolarHBondContact N-SD 2.76Å; L177-M352 HydrophobicContact CD1-CE 3.38Å; L177-M352 HydrophobicContact CG-CE 4.27Å; Q348-M352 VanDerWaalsContact O-CG 3.28Å; Q348-M352 WeakPolarHBondContact O-CG 3.44Å; Q348-M352 PolarHBondContact O-N 2.96Å; Q350-M352 PolarHBondContact O-N 3.07Å; M352-S354 VanDerWaalsContact C-N 3.3Å; M352-S354 PolarHBondContact O-N 2.88Å; M352-Q355 PolarHBondContact O-N 3.21Å; M352-H356 VanDerWaalsContact O-CB 3.3Å; M352-H356 WeakPolarHBondContact O-CB 3.41Å; M352-H356 PolarHBondContact O-N 3.31Å |
| 353 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 176.7 | -174.1 | 60.1 | 0 | 0 | 0 | 111.3 | E319 C322 M323 L326 S349 Q350 S357 F368 L371 L372 | E319-L353 HydrophobicContact CB-CD1 3.97Å; E319-L353 HydrophobicContact CG-CD1 3.95Å; C322-L353 HydrophobicContact CB-CB 3.97Å; C322-L353 HydrophobicContact CB-CD1 3.99Å; C322-L353 HydrophobicContact CB-CG 4.44Å; M323-L353 HydrophobicContact CG-CD2 4.25Å; L326-L353 HydrophobicContact CD1-CD2 3.78Å; S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 PolarHBondContact O-N 3.18Å; Q350-L353 PolarHBondContact O-N 2.94Å; L353-S357 WeakPolarHBondContact O-CB 3.33Å; L353-S357 PolarHBondContact O-N 2.92Å; L353-F368 HydrophobicContact CB-CD2 4.32Å; L353-F368 HydrophobicContact CB-CE2 4.14Å; L353-F368 HydrophobicContact CD2-CD2 4.35Å; L353-F368 HydrophobicContact CD2-CE2 4.3Å; L353-F368 HydrophobicContact CG-CD2 4.03Å; L353-F368 HydrophobicContact CG-CE2 4.21Å; L353-L371 HydrophobicContact CD1-CD1 4Å; L353-L371 HydrophobicContact CD2-CB 4.3Å; L353-L371 HydrophobicContact CG-CD1 4.43Å; L353-L372 HydrophobicContact CD2-CD2 4.18Å |
| 354 | S | 96.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.7 | -160.7 | 0 | 0 | 0 | 0 | 112.3 | Q350 V351 M352 K358 F368 | Q350-S354 WeakPolarHBondContact O-CB 3.44Å; Q350-S354 PolarHBondContact O-N 3.14Å; V351-S354 PolarHBondContact O-N 2.69Å; M352-S354 VanDerWaalsContact C-N 3.3Å; M352-S354 PolarHBondContact O-N 2.88Å; S354-K358 WeakPolarHBondContact O-CB 3.46Å; S354-K358 WeakPolarHBondContact O-CD 3.39Å; S354-K358 VanDerWaalsContact O-CG 3.26Å; S354-K358 WeakPolarHBondContact O-CG 3.36Å; S354-K358 PolarHBondContact O-N 3.1Å; S354-K358 VanDerWaalsContact O-N 3.13Å; S354-K358 PolarHBondContact OG-NZ 2.91Å; S354-F368 VanDerWaalsContact CA-CD2 3.43Å |
| 355 | Q | 95.2 | Very high | 95.3 | Very high | 98 Ų | 98 | 58.3 Ų | 58.3 | 46% | 0.458 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.4 | -47.8 | 179.4 | -73.2 | 176.2 | 11.1 | 0 | 0 | 111.8 | V351 M352 K358 A359 | V351-Q355 HydrophobicContact CG1-CG 4.43Å; V351-Q355 VanDerWaalsContact CG1-NE2 3.27Å; V351-Q355 WeakPolarHBondContact O-CB 3.39Å; V351-Q355 VanDerWaalsContact O-CG 3.29Å; V351-Q355 WeakPolarHBondContact O-CG 3.31Å; V351-Q355 PolarHBondContact O-N 3.49Å; M352-Q355 PolarHBondContact O-N 3.21Å; Q355-K358 PolarHBondContact O-N 2.95Å; Q355-A359 WeakPolarHBondContact O-CB 3.45Å; Q355-A359 PolarHBondContact O-N 3.43Å |
| 356 | H | 94.5 | Very high | 95.3 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.065 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 177.5 | 179.7 | 78.3 | 0 | 0 | 0 | 111.4 | M174 D316 M352 K358 A359 H360 | M174-H356 HydrophobicContact CE-CB 4.27Å; D316-H356 IonicContact OD1-CE1 3.67Å; D316-H356 IonicContact OD1-NE2 3.57Å; D316-H356 PolarHBondContact OD1-NE2 2.73Å; D316-H356 IonicContact OD2-CD2 2.69Å; D316-H356 IonicContact OD2-CE1 3.24Å; D316-H356 IonicContact OD2-NE2 3.52Å; D316-H356 PolarHBondContact OD2-NE2 3.15Å; M352-H356 VanDerWaalsContact O-CB 3.3Å; M352-H356 WeakPolarHBondContact O-CB 3.41Å; M352-H356 PolarHBondContact O-N 3.31Å; H356-K358 VanDerWaalsContact C-N 3.34Å; H356-K358 PolarHBondContact O-N 3.28Å; H356-A359 PolarHBondContact O-N 3Å; H356-A359 VanDerWaalsContact O-N 3.15Å; H356-H360 AromaticContact CE1-CD2 3.23Å; H356-H360 PolarHBondContact CE1-CD2 3.45Å; H356-H360 AromaticContact CE1-CG 3.64Å; H356-H360 AromaticContact CE1-NE2 3.63Å; H356-H360 AromaticContact ND1-CD2 3.25Å; H356-H360 PolarHBondContact ND1-CD2 3.05Å; H356-H360 VanDerWaalsContact ND1-CD2 3.25Å; H356-H360 AromaticContact ND1-NE2 3.68Å; H356-H360 AromaticContact NE2-CD2 3.98Å; H356-H360 PolarHBondContact O-N 3.08Å |
| 357 | S | 95 | Very high | 95.2 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59 | -43.2 | 179.2 | -162.1 | 0 | 0 | 0 | 0 | 112 | L353 H361 R367 F368 | L353-S357 WeakPolarHBondContact O-CB 3.33Å; L353-S357 PolarHBondContact O-N 2.92Å; S357-H361 CarbonylContact O-C 3.56Å; S357-H361 WeakPolarHBondContact O-CA 3.19Å; S357-H361 WeakPolarHBondContact O-CB 3.31Å; S357-H361 PolarHBondContact O-N 2.71Å; S357-R367 WeakPolarHBondContact OG-CB 3.44Å; S357-R367 WeakPolarHBondContact OG-CD 3.35Å; S357-R367 WeakPolarHBondContact OG-CG 3.25Å; S357-F368 PolarHBondContact OG-N 2.88Å |
| 358 | K | 94.8 | Very high | 95.2 | Very high | 138 Ų | 138 | 59 Ų | 59 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.7 | -37.2 | 175.6 | -73.8 | 165.3 | -178.4 | 155.3 | 0 | 113.4 | S354 Q355 H356 | S354-K358 WeakPolarHBondContact O-CB 3.46Å; S354-K358 WeakPolarHBondContact O-CD 3.39Å; S354-K358 VanDerWaalsContact O-CG 3.26Å; S354-K358 WeakPolarHBondContact O-CG 3.36Å; S354-K358 PolarHBondContact O-N 3.1Å; S354-K358 VanDerWaalsContact O-N 3.13Å; S354-K358 PolarHBondContact OG-NZ 2.91Å; Q355-K358 PolarHBondContact O-N 2.95Å; H356-K358 VanDerWaalsContact C-N 3.34Å; H356-K358 PolarHBondContact O-N 3.28Å |
| 359 | A | 94.8 | Very high | 95.3 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -76.1 | -43 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q355 H356 | Q355-A359 WeakPolarHBondContact O-CB 3.45Å; Q355-A359 PolarHBondContact O-N 3.43Å; H356-A359 PolarHBondContact O-N 3Å; H356-A359 VanDerWaalsContact O-N 3.15Å |
| 360 | H | 92.8 | Very high | 95.3 | Very high | 126 Ų | 126 | 63.6 Ų | 63.6 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -89.7 | -25 | -176.7 | -74.7 | -92.6 | 0 | 0 | 0 | 113.6 | H356 | H356-H360 AromaticContact CE1-CD2 3.23Å; H356-H360 PolarHBondContact CE1-CD2 3.45Å; H356-H360 AromaticContact CE1-CG 3.64Å; H356-H360 AromaticContact CE1-NE2 3.63Å; H356-H360 AromaticContact ND1-CD2 3.25Å; H356-H360 PolarHBondContact ND1-CD2 3.05Å; H356-H360 VanDerWaalsContact ND1-CD2 3.25Å; H356-H360 AromaticContact ND1-NE2 3.68Å; H356-H360 AromaticContact NE2-CD2 3.98Å; H356-H360 PolarHBondContact O-N 3.08Å |
| 361 | H | 92.4 | Very high | 95.3 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 19% | 0.185 | 34% | 0.343 | C | S | . | . | trans | -127.2 | 55.7 | -178.9 | -56.5 | 97.1 | 0 | 0 | 0 | 112.6 | D316 E319 S357 S363 Q364 R367 | D316-H361 IonicContact OD2-CE1 2.77Å; E319-H361 IonicContact OE1-CE1 3Å; E319-H361 IonicContact OE1-ND1 3.17Å; S357-H361 CarbonylContact O-C 3.56Å; S357-H361 WeakPolarHBondContact O-CA 3.19Å; S357-H361 WeakPolarHBondContact O-CB 3.31Å; S357-H361 PolarHBondContact O-N 2.71Å; H361-S363 PolarHBondContact O-N 3.36Å; H361-S363 VanDerWaalsContact O-N 3.1Å; H361-Q364 HydrophobicContact CB-CB 4.26Å; H361-Q364 HydrophobicContact CB-CG 4.44Å; H361-Q364 PolarHBondContact O-N 2.89Å; H361-R367 VanDerWaalsContact CB-CD 3.5Å; H361-R367 PolarHBondContact CE1-NE 3.01Å; H361-R367 VanDerWaalsContact CG-CD 3.41Å; H361-R367 WeakPolarHBondContact ND1-CD 3.32Å; H361-R367 PolarHBondContact ND1-NE 2.97Å | ||
| 362 | P | 93.2 | Very high | 95.3 | Very high | 102 Ų | 102 | 59.4 Ų | 59.4 | 66% | 0.662 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.8 | -175.5 | 26.4 | -36 | 0 | 0 | 0 | 113.9 | Q364 | P362-Q364 VanDerWaalsContact C-N 3.28Å; P362-Q364 PolarHBondContact O-N 3.07Å |
| 363 | S | 95.6 | Very high | 95.4 | Very high | 104 Ų | 104 | 65.7 Ų | 65.7 | 73% | 0.727 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -7.8 | 173.6 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | H361 P365 | H361-S363 PolarHBondContact O-N 3.36Å; H361-S363 VanDerWaalsContact O-N 3.1Å; S363-P365 VanDerWaalsContact C-CD 3.49Å; S363-P365 WeakPolarHBondContact O-CD 3.41Å |
| 364 | Q | 94.3 | Very high | 95.4 | Very high | 72 Ų | 72 | 66.3 Ų | 66.3 | 34% | 0.336 | 37% | 0.37 | S | S | . | . | trans | -119.8 | 69.5 | -177.6 | -55.5 | -178.1 | 28.2 | 0 | 0 | 111 | H361 P362 V366 R367 | H361-Q364 HydrophobicContact CB-CB 4.26Å; H361-Q364 HydrophobicContact CB-CG 4.44Å; H361-Q364 PolarHBondContact O-N 2.89Å; P362-Q364 VanDerWaalsContact C-N 3.28Å; P362-Q364 PolarHBondContact O-N 3.07Å; Q364-V366 PolarHBondContact O-N 3.41Å; Q364-R367 HydrophobicContact CB-CB 3.8Å; Q364-R367 WeakPolarHBondContact O-CB 3.42Å; Q364-R367 PolarHBondContact O-N 2.91Å | ||
| 365 | P | 91.8 | Very high | 95.3 | Very high | 114 Ų | 114 | 66.5 Ų | 66.5 | 74% | 0.74 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.7 | -172.1 | 23.9 | -35.1 | 0 | 0 | 0 | 114.4 | S363 | S363-P365 VanDerWaalsContact C-CD 3.49Å; S363-P365 WeakPolarHBondContact O-CD 3.41Å |
| 366 | V | 96.4 | Very high | 95.2 | Very high | 93 Ų | 93 | 65.2 Ų | 65.2 | 56% | 0.564 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 2.8 | 177.5 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | Q364 F368 G369 K370 | Q364-V366 PolarHBondContact O-N 3.41Å; V366-F368 PolarHBondContact O-N 3.38Å; V366-G369 PolarHBondContact O-N 2.83Å; V366-K370 HydrophobicContact CG2-CD 4.35Å; V366-K370 PolarHBondContact O-N 2.84Å |
| 367 | R | 96.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.015 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | -174 | -175.6 | -179.2 | 178.7 | 87.4 | -0.9 | 112.7 | L313 A314 E319 S357 H361 Q364 G369 K370 L371 | L313-R367 PolarHBondContact O-NH1 3.23Å; L313-R367 PolarHBondContact O-NH2 2.83Å; L313-R367 VanDerWaalsContact O-NH2 3.13Å; A314-R367 PolarHBondContact O-NH2 3Å; E319-R367 IonicContact OE1-CZ 3.72Å; E319-R367 IonicContact OE1-NE 3.6Å; E319-R367 PolarHBondContact OE1-NE 2.99Å; E319-R367 IonicContact OE1-NH2 3.62Å; E319-R367 IonicContact OE2-CZ 2.94Å; E319-R367 IonicContact OE2-NE 3.75Å; E319-R367 IonicContact OE2-NH2 2.65Å; E319-R367 PolarHBondContact OE2-NH2 3.02Å; S357-R367 WeakPolarHBondContact OG-CB 3.44Å; S357-R367 WeakPolarHBondContact OG-CD 3.35Å; S357-R367 WeakPolarHBondContact OG-CG 3.25Å; H361-R367 VanDerWaalsContact CB-CD 3.5Å; H361-R367 PolarHBondContact CE1-NE 3.01Å; H361-R367 VanDerWaalsContact CG-CD 3.41Å; H361-R367 WeakPolarHBondContact ND1-CD 3.32Å; H361-R367 PolarHBondContact ND1-NE 2.97Å; Q364-R367 HydrophobicContact CB-CB 3.8Å; Q364-R367 WeakPolarHBondContact O-CB 3.42Å; Q364-R367 PolarHBondContact O-N 2.91Å; R367-G369 VanDerWaalsContact C-N 3.33Å; R367-G369 PolarHBondContact O-N 3.33Å; R367-K370 WeakPolarHBondContact O-CB 3.46Å; R367-K370 PolarHBondContact O-N 2.91Å; R367-K370 VanDerWaalsContact O-N 3.1Å; R367-L371 HydrophobicContact CG-CD1 3.9Å; R367-L371 HydrophobicContact CG-CG 4.33Å; R367-L371 WeakPolarHBondContact O-CG 3.4Å; R367-L371 PolarHBondContact O-N 3.37Å |
| 368 | F | 97.6 | Very high | 94.9 | Very high | 49 Ų | 49 | 64.6 Ų | 64.6 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -52.2 | -48.9 | 174 | 173.7 | -111.3 | 0 | 0 | 0 | 112.4 | Q350 L353 S354 S357 V366 K370 L371 L372 | Q350-F368 WeakPolarHBondContact O-CE2 3.45Å; L353-F368 HydrophobicContact CB-CD2 4.32Å; L353-F368 HydrophobicContact CB-CE2 4.14Å; L353-F368 HydrophobicContact CD2-CD2 4.35Å; L353-F368 HydrophobicContact CD2-CE2 4.3Å; L353-F368 HydrophobicContact CG-CD2 4.03Å; L353-F368 HydrophobicContact CG-CE2 4.21Å; S354-F368 VanDerWaalsContact CA-CD2 3.43Å; S357-F368 PolarHBondContact OG-N 2.88Å; V366-F368 PolarHBondContact O-N 3.38Å; F368-K370 PolarHBondContact O-N 2.95Å; F368-L371 PolarHBondContact O-N 3.46Å; F368-L372 HydrophobicContact CD1-CD1 4.44Å; F368-L372 HydrophobicContact CE1-CD1 3.78Å; F368-L372 HydrophobicContact CE2-CD1 4.1Å; F368-L372 HydrophobicContact CE2-CD2 4.46Å; F368-L372 HydrophobicContact CE2-CG 4.25Å; F368-L372 HydrophobicContact CZ-CD1 3.6Å; F368-L372 HydrophobicContact CZ-CG 4.25Å; F368-L372 PolarHBondContact O-N 3.17Å; F368-L372 VanDerWaalsContact O-N 3.09Å |
| 369 | G | 97.5 | Very high | 94.7 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V366 R367 L371 L372 L373 | V366-G369 PolarHBondContact O-N 2.83Å; R367-G369 VanDerWaalsContact C-N 3.33Å; R367-G369 PolarHBondContact O-N 3.33Å; G369-L371 PolarHBondContact O-N 3.25Å; G369-L372 PolarHBondContact O-N 3.46Å; G369-L373 VanDerWaalsContact O-CG 3.29Å; G369-L373 WeakPolarHBondContact O-CG 3.34Å; G369-L373 PolarHBondContact O-N 2.98Å |
| 370 | K | 96.8 | Very high | 94.4 | Very high | 113 Ų | 113 | 68.8 Ų | 68.8 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 174.6 | -70.8 | -177.5 | 175.1 | -176.8 | 0 | 112.4 | L313 V366 R367 F368 L373 L374 | L313-K370 HydrophobicContact CD1-CB 4.25Å; L313-K370 HydrophobicContact CD1-CD 4.09Å; L313-K370 HydrophobicContact CD2-CB 3.94Å; V366-K370 HydrophobicContact CG2-CD 4.35Å; V366-K370 PolarHBondContact O-N 2.84Å; R367-K370 WeakPolarHBondContact O-CB 3.46Å; R367-K370 PolarHBondContact O-N 2.91Å; R367-K370 VanDerWaalsContact O-N 3.1Å; F368-K370 PolarHBondContact O-N 2.95Å; K370-L373 PolarHBondContact O-N 3.35Å; K370-L374 PolarHBondContact O-N 3.46Å |
| 371 | L | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 177.1 | -70.7 | 159.4 | 0 | 0 | 0 | 111.4 | L313 V315 E319 M323 L353 R367 F368 G369 L373 L374 | L313-L371 HydrophobicContact CD2-CD2 3.74Å; L313-L371 HydrophobicContact CD2-CG 3.94Å; V315-L371 HydrophobicContact CB-CD2 4.44Å; V315-L371 HydrophobicContact CG1-CD2 4.03Å; V315-L371 HydrophobicContact CG2-CD2 3.76Å; E319-L371 HydrophobicContact CB-CD2 4.39Å; E319-L371 HydrophobicContact CG-CD1 4.21Å; E319-L371 WeakPolarHBondContact OE1-CD1 3.49Å; M323-L371 WeakPolarHBondContact CE-O 3.29Å; M323-L371 HydrophobicContact SD-CB 4.45Å; M323-L371 HydrophobicContact SD-CD2 3.94Å; L353-L371 HydrophobicContact CD1-CD1 4Å; L353-L371 HydrophobicContact CD2-CB 4.3Å; L353-L371 HydrophobicContact CG-CD1 4.43Å; R367-L371 HydrophobicContact CG-CD1 3.9Å; R367-L371 HydrophobicContact CG-CG 4.33Å; R367-L371 WeakPolarHBondContact O-CG 3.4Å; R367-L371 PolarHBondContact O-N 3.37Å; F368-L371 PolarHBondContact O-N 3.46Å; G369-L371 PolarHBondContact O-N 3.25Å; L371-L373 VanDerWaalsContact C-N 3.32Å; L371-L373 PolarHBondContact O-N 2.74Å; L371-L374 WeakPolarHBondContact O-CB 3.41Å; L371-L374 PolarHBondContact O-N 3.25Å; L371-L374 VanDerWaalsContact O-N 3.14Å |
| 372 | L | 97.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 64.7 Ų | 64.7 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 175.5 | -67.2 | -177.1 | 0 | 0 | 0 | 112.2 | L326 L353 F368 G369 L374 L375 P376 | L326-L372 HydrophobicContact CD1-CD2 3.8Å; L353-L372 HydrophobicContact CD2-CD2 4.18Å; F368-L372 HydrophobicContact CD1-CD1 4.44Å; F368-L372 HydrophobicContact CE1-CD1 3.78Å; F368-L372 HydrophobicContact CE2-CD1 4.1Å; F368-L372 HydrophobicContact CE2-CD2 4.46Å; F368-L372 HydrophobicContact CE2-CG 4.25Å; F368-L372 HydrophobicContact CZ-CD1 3.6Å; F368-L372 HydrophobicContact CZ-CG 4.25Å; F368-L372 PolarHBondContact O-N 3.17Å; F368-L372 VanDerWaalsContact O-N 3.09Å; G369-L372 PolarHBondContact O-N 3.46Å; L372-L374 PolarHBondContact O-N 3.25Å; L372-L375 HydrophobicContact CD2-CD1 4.43Å; L372-L375 PolarHBondContact O-N 2.9Å; L372-L375 VanDerWaalsContact O-N 3.07Å; L372-P376 WeakPolarHBondContact O-CD 3.41Å |
| 373 | L | 96.3 | Very high | 94.1 | Very high | 135 Ų | 135 | 61.3 Ų | 61.3 | 71% | 0.707 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.2 | -11 | 177.5 | -70 | 171.6 | 0 | 0 | 0 | 114.1 | G369 K370 L371 | G369-L373 VanDerWaalsContact O-CG 3.29Å; G369-L373 WeakPolarHBondContact O-CG 3.34Å; G369-L373 PolarHBondContact O-N 2.98Å; K370-L373 PolarHBondContact O-N 3.35Å; L371-L373 VanDerWaalsContact C-N 3.32Å; L371-L373 PolarHBondContact O-N 2.74Å |
| 374 | L | 95.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.8 | -31.3 | 168.7 | -65.9 | 178.7 | 0 | 0 | 0 | 112.4 | R309 F310 L313 V315 M323 K370 L371 L372 S377 | R309-L374 HydrophobicContact CB-CD2 3.72Å; F310-L374 HydrophobicContact CD1-CD1 3.89Å; F310-L374 HydrophobicContact CD2-CB 4.33Å; F310-L374 HydrophobicContact CD2-CD1 4.01Å; F310-L374 HydrophobicContact CD2-CD2 4.26Å; F310-L374 HydrophobicContact CD2-CG 4.44Å; F310-L374 HydrophobicContact CE1-CB 4.32Å; F310-L374 HydrophobicContact CE1-CD1 4.01Å; F310-L374 HydrophobicContact CE2-CB 3.71Å; F310-L374 HydrophobicContact CE2-CD1 4.15Å; F310-L374 HydrophobicContact CE2-CD2 4.39Å; F310-L374 HydrophobicContact CE2-CG 4.3Å; F310-L374 HydrophobicContact CG-CD1 3.9Å; F310-L374 HydrophobicContact CZ-CB 3.7Å; F310-L374 HydrophobicContact CZ-CD1 4.15Å; F310-L374 HydrophobicContact CZ-CG 4.49Å; L313-L374 HydrophobicContact CD2-CD1 3.75Å; L313-L374 HydrophobicContact CD2-CG 4.41Å; V315-L374 HydrophobicContact CG2-CD1 3.99Å; M323-L374 HydrophobicContact CE-CB 3.96Å; M323-L374 HydrophobicContact CE-CD1 4.35Å; K370-L374 PolarHBondContact O-N 3.46Å; L371-L374 WeakPolarHBondContact O-CB 3.41Å; L371-L374 PolarHBondContact O-N 3.25Å; L371-L374 VanDerWaalsContact O-N 3.14Å; L372-L374 PolarHBondContact O-N 3.25Å; L374-S377 WeakPolarHBondContact O-CB 3.46Å; L374-S377 PolarHBondContact O-N 2.96Å; L374-S377 VanDerWaalsContact O-N 3.08Å; L374-S377 PolarHBondContact O-OG 2.93Å |
| 375 | L | 95.7 | Very high | 93.5 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -62.4 | -47.8 | -174.5 | -61.1 | 177.7 | 0 | 0 | 0 | 113.1 | M323 L326 V327 L372 S377 L378 | M323-L375 HydrophobicContact CB-CD2 4.09Å; M323-L375 HydrophobicContact CE-CD2 3.46Å; M323-L375 VanDerWaalsContact CE-CD2 3.46Å; M323-L375 HydrophobicContact CE-CG 3.99Å; M323-L375 HydrophobicContact CG-CD2 4.28Å; L326-L375 HydrophobicContact CB-CD1 3.94Å; L326-L375 HydrophobicContact CD1-CD1 4.04Å; V327-L375 HydrophobicContact CG1-CD2 3.8Å; L372-L375 HydrophobicContact CD2-CD1 4.43Å; L372-L375 PolarHBondContact O-N 2.9Å; L372-L375 VanDerWaalsContact O-N 3.07Å; L375-S377 PolarHBondContact O-N 3.47Å; L375-L378 HydrophobicContact CD2-CD1 4.17Å; L375-L378 WeakPolarHBondContact O-CB 3.23Å; L375-L378 PolarHBondContact O-N 3.28Å |
| 376 | P | 93.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 55.2 Ų | 55.2 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -56.6 | -25.2 | 174.4 | -25.6 | 34.8 | 0 | 0 | 0 | 113.8 | L372 L378 R379 | L372-P376 WeakPolarHBondContact O-CD 3.41Å; P376-L378 VanDerWaalsContact C-N 3.27Å; P376-L378 PolarHBondContact O-N 3.11Å; P376-R379 PolarHBondContact O-N 3.33Å |
| 377 | S | 91.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -73.6 | -16.9 | -179.8 | 81.5 | 0 | 0 | 0 | 0 | 114.4 | T306 L374 L375 | T306-S377 PolarHBondContact OG1-O 3Å; L374-S377 WeakPolarHBondContact O-CB 3.46Å; L374-S377 PolarHBondContact O-N 2.96Å; L374-S377 VanDerWaalsContact O-N 3.08Å; L374-S377 PolarHBondContact O-OG 2.93Å; L375-S377 PolarHBondContact O-N 3.47Å |
| 378 | L | 91.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -38.1 | 170.9 | -59.1 | 171 | 0 | 0 | 0 | 110.7 | E259 L262 L263 I266 T306 F310 L375 P376 F380 I381 | E259-L378 HydrophobicContact CB-CD1 4.33Å; E259-L378 HydrophobicContact CG-CB 4.21Å; L262-L378 HydrophobicContact CB-CD2 3.98Å; L262-L378 HydrophobicContact CD1-CB 4.38Å; L262-L378 HydrophobicContact CD1-CD2 4.13Å; L263-L378 HydrophobicContact CD1-CD1 4.35Å; L263-L378 HydrophobicContact CD2-CD1 3.94Å; L263-L378 HydrophobicContact CG-CD1 3.9Å; I266-L378 HydrophobicContact CD1-CD2 4.1Å; T306-L378 HydrophobicContact CG2-CD2 3.93Å; F310-L378 HydrophobicContact CE2-CD2 4.04Å; F310-L378 HydrophobicContact CE2-CG 4.49Å; F310-L378 HydrophobicContact CZ-CD1 4.37Å; F310-L378 HydrophobicContact CZ-CD2 4.16Å; F310-L378 HydrophobicContact CZ-CG 4.4Å; L375-L378 HydrophobicContact CD2-CD1 4.17Å; L375-L378 WeakPolarHBondContact O-CB 3.23Å; L375-L378 PolarHBondContact O-N 3.28Å; P376-L378 VanDerWaalsContact C-N 3.27Å; P376-L378 PolarHBondContact O-N 3.11Å; L378-F380 PolarHBondContact O-N 3.38Å; L378-F380 VanDerWaalsContact O-N 3.16Å; L378-I381 WeakPolarHBondContact O-CB 3.36Å; L378-I381 PolarHBondContact O-N 3.38Å |
| 379 | R | 89.9 | Confident | 92 | Very high | 142 Ų | 142 | 54.9 Ų | 54.9 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -14.4 | -176.1 | -58.1 | -172.5 | 71.6 | 141.7 | 9.2 | 114.7 | P376 I381 | P376-R379 PolarHBondContact O-N 3.33Å; R379-I381 PolarHBondContact O-N 3Å |
| 380 | F | 88.7 | Confident | 91.5 | Very high | 156 Ų | 156 | 53.4 Ų | 53.4 | 68% | 0.684 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -6.6 | 169.8 | -65 | -61.6 | 0 | 0 | 0 | 113.5 | V302 L378 | V302-F380 HydrophobicContact CG1-CB 3.96Å; L378-F380 PolarHBondContact O-N 3.38Å; L378-F380 VanDerWaalsContact O-N 3.16Å |
| 381 | I | 89.1 | Confident | 91.2 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -115.2 | 99.4 | -179.7 | -49.1 | 170.8 | 0 | 0 | 0 | 106.3 | L262 V302 L303 L378 R379 I386 | L262-I381 HydrophobicContact CD1-CB 4.06Å; L262-I381 HydrophobicContact CD1-CD1 4.02Å; L262-I381 HydrophobicContact CD1-CG2 4.27Å; V302-I381 HydrophobicContact CG1-CG1 4.11Å; L303-I381 HydrophobicContact CB-CD1 3.97Å; L303-I381 HydrophobicContact CD1-CD1 3.73Å; L303-I381 HydrophobicContact CG-CD1 4.46Å; L378-I381 WeakPolarHBondContact O-CB 3.36Å; L378-I381 PolarHBondContact O-N 3.38Å; R379-I381 PolarHBondContact O-N 3Å; I381-I386 HydrophobicContact CG2-CD1 4.2Å; I381-I386 HydrophobicContact CG2-CG1 3.91Å |
| 382 | T | 90.4 | Very high | 90.6 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | trans | -72.2 | 159.2 | -168.6 | 82.1 | 0 | 0 | 0 | 0 | 112.7 | E384 R385 I386 | T382-E384 VanDerWaalsContact C-N 3.32Å; T382-E384 WeakPolarHBondContact CB-OE2 3.3Å; T382-E384 PolarHBondContact O-N 3.16Å; T382-E384 PolarHBondContact OG1-OE2 2.87Å; T382-R385 WeakPolarHBondContact O-CB 3.21Å; T382-R385 PolarHBondContact O-N 3.49Å; T382-R385 VanDerWaalsContact O-N 3.13Å; T382-R385 PolarHBondContact OG1-N 3.44Å; T382-I386 WeakPolarHBondContact O-CG1 3.46Å; T382-I386 PolarHBondContact O-N 2.99Å | ||
| 383 | A | 92.4 | Very high | 90 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 26% | 0.256 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | W257 R385 I386 E387 | W257-A383 WeakPolarHBondContact CH2-O 3.39Å; W257-A383 HydrophobicContact CZ2-CB 3.71Å; A383-R385 VanDerWaalsContact C-N 3.31Å; A383-R385 PolarHBondContact O-N 2.9Å; A383-I386 PolarHBondContact O-N 3.14Å; A383-E387 PolarHBondContact O-N 2.67Å |
| 384 | E | 89.9 | Confident | 89.4 | Confident | 129 Ų | 129 | 53.8 Ų | 53.8 | 60% | 0.603 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.8 | -33.9 | 177.9 | -45.9 | 83.4 | 170.4 | 0 | 0 | 111.6 | T382 L388 | T382-E384 VanDerWaalsContact C-N 3.32Å; T382-E384 WeakPolarHBondContact CB-OE2 3.3Å; T382-E384 PolarHBondContact O-N 3.16Å; T382-E384 PolarHBondContact OG1-OE2 2.87Å; E384-L388 VanDerWaalsContact O-CB 3.29Å; E384-L388 WeakPolarHBondContact O-CB 3.1Å; E384-L388 PolarHBondContact O-N 3.29Å |
| 385 | R | 86.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 175.5 | -178.2 | 60.8 | -172 | -166.8 | 6 | 111.5 | A296 E299 T382 A383 L389 | A296-R385 PolarHBondContact O-NH2 3.15Å; E299-R385 WeakPolarHBondContact OE2-CD 3.27Å; E299-R385 IonicContact OE2-CZ 3.19Å; E299-R385 IonicContact OE2-NE 2.67Å; E299-R385 PolarHBondContact OE2-NE 3.32Å; E299-R385 IonicContact OE2-NH1 2.9Å; E299-R385 PolarHBondContact OE2-NH1 2.67Å; E299-R385 IonicContact OE2-NH2 3.25Å; T382-R385 WeakPolarHBondContact O-CB 3.21Å; T382-R385 PolarHBondContact O-N 3.49Å; T382-R385 VanDerWaalsContact O-N 3.13Å; T382-R385 PolarHBondContact OG1-N 3.44Å; A383-R385 VanDerWaalsContact C-N 3.31Å; A383-R385 PolarHBondContact O-N 2.9Å; R385-L389 HydrophobicContact CG-CD1 4.19Å; R385-L389 WeakPolarHBondContact O-CB 3.29Å; R385-L389 WeakPolarHBondContact O-CG 3.12Å; R385-L389 PolarHBondContact O-N 2.88Å |
| 386 | I | 90.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 175 | -68.2 | 158.5 | 0 | 0 | 0 | 110.3 | W257 F261 L262 I381 T382 A383 L388 L389 F390 F391 | W257-I386 HydrophobicContact CH2-CB 4.07Å; W257-I386 HydrophobicContact CH2-CG2 3.76Å; W257-I386 HydrophobicContact CZ3-CB 4.33Å; W257-I386 HydrophobicContact CZ3-CG2 3.55Å; F261-I386 HydrophobicContact CD1-CG2 3.51Å; F261-I386 HydrophobicContact CE1-CG2 3.76Å; F261-I386 HydrophobicContact CG-CG2 4.45Å; L262-I386 HydrophobicContact CD1-CD1 3.8Å; L262-I386 HydrophobicContact CD2-CD1 4.32Å; L262-I386 HydrophobicContact CD2-CG1 4.41Å; L262-I386 HydrophobicContact CG-CD1 3.88Å; L262-I386 HydrophobicContact CG-CG1 4.49Å; I381-I386 HydrophobicContact CG2-CD1 4.2Å; I381-I386 HydrophobicContact CG2-CG1 3.91Å; T382-I386 WeakPolarHBondContact O-CG1 3.46Å; T382-I386 PolarHBondContact O-N 2.99Å; A383-I386 PolarHBondContact O-N 3.14Å; I386-L388 PolarHBondContact O-N 3.26Å; I386-L389 PolarHBondContact O-N 2.81Å; I386-F390 HydrophobicContact CG2-CD2 4.06Å; I386-F390 WeakPolarHBondContact O-CB 3.32Å; I386-F390 WeakPolarHBondContact O-CD2 3.29Å; I386-F390 PolarHBondContact O-N 3.41Å; I386-F391 HydrophobicContact CG2-CD2 4.29Å; I386-F391 HydrophobicContact CG2-CE2 3.9Å |
| 387 | E | 91.1 | Very high | 87.9 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -54.1 | -53 | 172.8 | -175.1 | -161.6 | 120.8 | 0 | 0 | 110.8 | A383 L389 F391 R392 M400 | A383-E387 PolarHBondContact O-N 2.67Å; E387-L389 VanDerWaalsContact C-N 3.34Å; E387-L389 PolarHBondContact O-N 2.76Å; E387-F391 PolarHBondContact O-N 2.84Å; E387-R392 PolarHBondContact O-N 2.92Å; E387-M400 HydrophobicContact CB-CG 4.09Å; E387-M400 HydrophobicContact CB-SD 4.42Å; E387-M400 HydrophobicContact CG-CG 3.82Å; E387-M400 HydrophobicContact CG-SD 4.02Å |
| 388 | L | 86.2 | Confident | 87.7 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -58 | -41.9 | -179.4 | 177.8 | 61.5 | 0 | 0 | 0 | 113.1 | E384 I386 | E384-L388 VanDerWaalsContact O-CB 3.29Å; E384-L388 WeakPolarHBondContact O-CB 3.1Å; E384-L388 PolarHBondContact O-N 3.29Å; I386-L388 PolarHBondContact O-N 3.26Å |
| 389 | L | 83.5 | Confident | 87.6 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -77.5 | -43.1 | -176.9 | -76.7 | 176.3 | 0 | 0 | 0 | 113.3 | H221 L277 L278 R385 I386 E387 | H221-L389 PolarHBondContact CE1-O 3.22Å; L277-L389 HydrophobicContact CB-CD2 4.31Å; L278-L389 HydrophobicContact CD2-CD1 4.33Å; R385-L389 HydrophobicContact CG-CD1 4.19Å; R385-L389 WeakPolarHBondContact O-CB 3.29Å; R385-L389 WeakPolarHBondContact O-CG 3.12Å; R385-L389 PolarHBondContact O-N 2.88Å; I386-L389 PolarHBondContact O-N 2.81Å; E387-L389 VanDerWaalsContact C-N 3.34Å; E387-L389 PolarHBondContact O-N 2.76Å |
| 390 | F | 86.4 | Confident | 87.6 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -110.2 | -32.2 | -165 | -64.1 | -71.3 | 0 | 0 | 0 | 114 | I220 H221 S224 F261 L270 L272 L303 I386 | I220-F390 HydrophobicContact CG2-CD1 4.33Å; I220-F390 HydrophobicContact CG2-CE1 4.46Å; H221-F390 PolarHBondContact ND1-O 2.83Å; S224-F390 WeakPolarHBondContact OG-CD1 3.43Å; F261-F390 HydrophobicContact CE1-CB 4.29Å; F261-F390 HydrophobicContact CE1-CD1 4.48Å; F261-F390 AromaticContact CE1-CD2 3.62Å; F261-F390 HydrophobicContact CE1-CD2 3.62Å; F261-F390 HydrophobicContact CE1-CE2 4.04Å; F261-F390 AromaticContact CE1-CG 3.87Å; F261-F390 HydrophobicContact CE1-CG 3.87Å; F261-F390 HydrophobicContact CZ-CB 4.02Å; F261-F390 HydrophobicContact CZ-CD1 4.14Å; F261-F390 HydrophobicContact CZ-CD2 4.05Å; F261-F390 AromaticContact CZ-CG 3.79Å; F261-F390 HydrophobicContact CZ-CG 3.79Å; L270-F390 HydrophobicContact CD2-CE1 4.24Å; L272-F390 HydrophobicContact CD2-CE1 3.41Å; L272-F390 VanDerWaalsContact CD2-CE1 3.41Å; L272-F390 HydrophobicContact CD2-CZ 3.51Å; L303-F390 HydrophobicContact CD2-CE2 4.43Å; L303-F390 HydrophobicContact CD2-CZ 4.16Å; I386-F390 HydrophobicContact CG2-CD2 4.06Å; I386-F390 WeakPolarHBondContact O-CB 3.32Å; I386-F390 WeakPolarHBondContact O-CD2 3.29Å; I386-F390 PolarHBondContact O-N 3.41Å |
| 391 | F | 89.8 | Confident | 87.7 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -113.1 | -32.2 | -167.1 | -62.5 | -78.5 | 0 | 0 | 0 | 114.3 | S224 L228 W257 F261 I386 E387 K393 T394 I395 M400 | S224-F391 WeakPolarHBondContact O-CE1 3.41Å; L228-F391 HydrophobicContact CB-CE1 3.82Å; L228-F391 HydrophobicContact CB-CZ 3.87Å; L228-F391 HydrophobicContact CD1-CZ 4.48Å; L228-F391 HydrophobicContact CD2-CD1 4.26Å; L228-F391 HydrophobicContact CD2-CE1 3.68Å; L228-F391 HydrophobicContact CD2-CZ 3.99Å; L228-F391 HydrophobicContact CG-CE1 4.33Å; L228-F391 HydrophobicContact CG-CZ 4.34Å; W257-F391 HydrophobicContact CZ3-CD2 4.32Å; W257-F391 AromaticContact CZ3-CE2 3.98Å; W257-F391 HydrophobicContact CZ3-CE2 3.98Å; F261-F391 HydrophobicContact CD1-CE2 4.24Å; F261-F391 HydrophobicContact CD2-CE2 4.16Å; F261-F391 AromaticContact CD2-CZ 3.67Å; F261-F391 HydrophobicContact CD2-CZ 3.67Å; F261-F391 HydrophobicContact CE1-CE2 4.11Å; F261-F391 HydrophobicContact CE1-CZ 4.44Å; F261-F391 HydrophobicContact CE2-CE2 4.04Å; F261-F391 AromaticContact CE2-CZ 3.54Å; F261-F391 HydrophobicContact CE2-CZ 3.54Å; F261-F391 HydrophobicContact CG-CE2 4.26Å; F261-F391 HydrophobicContact CG-CZ 4.18Å; F261-F391 HydrophobicContact CZ-CE2 4.01Å; F261-F391 AromaticContact CZ-CZ 3.96Å; F261-F391 HydrophobicContact CZ-CZ 3.96Å; I386-F391 HydrophobicContact CG2-CD2 4.29Å; I386-F391 HydrophobicContact CG2-CE2 3.9Å; E387-F391 PolarHBondContact O-N 2.84Å; F391-K393 PolarHBondContact O-N 2.93Å; F391-T394 WeakPolarHBondContact O-CA 3.36Å; F391-T394 WeakPolarHBondContact O-CB 3.47Å; F391-T394 PolarHBondContact O-N 3.37Å; F391-I395 HydrophobicContact CB-CD1 3.99Å; F391-I395 HydrophobicContact CB-CG1 4.34Å; F391-I395 PolarHBondContact O-N 3.31Å; F391-M400 HydrophobicContact CB-SD 4.1Å; F391-M400 HydrophobicContact CD2-CE 4.38Å; F391-M400 HydrophobicContact CD2-SD 4.39Å; F391-M400 HydrophobicContact CG-CE 4.41Å; F391-M400 HydrophobicContact CG-SD 4.17Å |
| 392 | R | 86.4 | Confident | 87.7 | Confident | 115 Ų | 115 | 59.3 Ų | 59.3 | 43% | 0.434 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.6 | -31.2 | -171.4 | -167.5 | 177.9 | -171 | 120.2 | 6.6 | 114.9 | E387 G396 | E387-R392 PolarHBondContact O-N 2.92Å; R392-G396 WeakPolarHBondContact O-CA 3.49Å; R392-G396 PolarHBondContact O-N 3.32Å; R392-G396 VanDerWaalsContact O-N 3.15Å |
| 393 | K | 83.1 | Confident | 87.7 | Confident | 118 Ų | 118 | 57.9 Ų | 57.9 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.3 | -33 | 174.3 | -63.5 | -159.1 | -158.3 | 144 | 0 | 113.3 | L217 H221 F391 | L217-K393 VanDerWaalsContact CD2-NZ 3.33Å; H221-K393 WeakPolarHBondContact NE2-CD 3.49Å; H221-K393 WeakPolarHBondContact NE2-CE 3.29Å; H221-K393 PolarHBondContact NE2-NZ 2.94Å; F391-K393 PolarHBondContact O-N 2.93Å |
| 394 | T | 83.9 | Confident | 87.7 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -82.5 | -42.7 | -177.6 | -41.5 | 0 | 0 | 0 | 0 | 111.9 | F391 | F391-T394 WeakPolarHBondContact O-CA 3.36Å; F391-T394 WeakPolarHBondContact O-CB 3.47Å; F391-T394 PolarHBondContact O-N 3.37Å |
| 395 | I | 85.1 | Confident | 87.6 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 14% | 0.138 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -104.6 | -5.1 | -171.4 | 77 | 178.9 | 0 | 0 | 0 | 113.8 | F391 N397 T398 M400 L403 | F391-I395 HydrophobicContact CB-CD1 3.99Å; F391-I395 HydrophobicContact CB-CG1 4.34Å; F391-I395 PolarHBondContact O-N 3.31Å; I395-N397 PolarHBondContact O-N 2.77Å; I395-T398 VanDerWaalsContact CD1-O 3.25Å; I395-T398 WeakPolarHBondContact CD1-O 3.31Å; I395-T398 VanDerWaalsContact O-CB 3.27Å; I395-T398 WeakPolarHBondContact O-CB 3.35Å; I395-T398 PolarHBondContact O-N 3.08Å; I395-T398 VanDerWaalsContact O-N 3.16Å; I395-T398 PolarHBondContact O-OG1 2.9Å; I395-M400 HydrophobicContact CD1-SD 3.55Å; I395-M400 VanDerWaalsContact CD1-SD 3.55Å; I395-L403 HydrophobicContact CD1-CD2 3.96Å; I395-L403 HydrophobicContact CG2-CD1 4.46Å; I395-L403 HydrophobicContact CG2-CD2 3.97Å |
| 396 | G | 84.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | -123.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R392 | R392-G396 WeakPolarHBondContact O-CA 3.49Å; R392-G396 PolarHBondContact O-N 3.32Å; R392-G396 VanDerWaalsContact O-N 3.15Å |
| 397 | N | 84.6 | Confident | 87.5 | Confident | 144 Ų | 144 | 54.8 Ų | 54.8 | 77% | 0.77 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 20.2 | 176.5 | -59.5 | -41.6 | 0 | 0 | 0 | 112.4 | I395 | I395-N397 PolarHBondContact O-N 2.77Š|
| 398 | T | 87.9 | Confident | 87.2 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | trans | -74.2 | 123.1 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 109 | I395 K402 | I395-T398 VanDerWaalsContact CD1-O 3.25Å; I395-T398 WeakPolarHBondContact CD1-O 3.31Å; I395-T398 VanDerWaalsContact O-CB 3.27Å; I395-T398 WeakPolarHBondContact O-CB 3.35Å; I395-T398 PolarHBondContact O-N 3.08Å; I395-T398 VanDerWaalsContact O-N 3.16Å; I395-T398 PolarHBondContact O-OG1 2.9Å; T398-K402 HydrophobicContact CG2-CB 4.47Å; T398-K402 HydrophobicContact CG2-CD 4.19Å | ||
| 399 | P | 89.1 | Confident | 87 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | trans | -67 | 144.4 | -179.5 | 27.5 | -34.1 | 0 | 0 | 0 | 111.1 | E401 K402 L403 | P399-E401 VanDerWaalsContact C-N 3.27Å; P399-E401 WeakPolarHBondContact CB-OE2 3.2Å; P399-E401 PolarHBondContact O-N 3.16Å; P399-K402 HydrophobicContact CG-CB 3.95Å; P399-K402 PolarHBondContact O-N 3.48Å; P399-K402 VanDerWaalsContact O-N 3.14Å; P399-L403 PolarHBondContact O-N 3.34Å | ||
| 400 | M | 91.5 | Very high | 86 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.3 | -36.1 | -174.9 | -72 | -62.8 | -53.5 | 0 | 0 | 112.4 | L228 W257 E387 F391 I395 K402 L403 L404 | L228-M400 HydrophobicContact CD2-CE 3.61Å; W257-M400 HydrophobicContact CD2-CE 4.04Å; W257-M400 HydrophobicContact CE3-CE 3.72Å; W257-M400 HydrophobicContact CH2-CE 3.66Å; W257-M400 HydrophobicContact CH2-CG 3.97Å; W257-M400 HydrophobicContact CH2-SD 4.2Å; W257-M400 HydrophobicContact CZ2-CB 4.01Å; W257-M400 HydrophobicContact CZ2-CE 3.96Å; W257-M400 HydrophobicContact CZ2-CG 3.7Å; W257-M400 HydrophobicContact CZ2-SD 4.47Å; W257-M400 HydrophobicContact CZ3-CE 3.52Å; E387-M400 HydrophobicContact CB-CG 4.09Å; E387-M400 HydrophobicContact CB-SD 4.42Å; E387-M400 HydrophobicContact CG-CG 3.82Å; E387-M400 HydrophobicContact CG-SD 4.02Å; F391-M400 HydrophobicContact CB-SD 4.1Å; F391-M400 HydrophobicContact CD2-CE 4.38Å; F391-M400 HydrophobicContact CD2-SD 4.39Å; F391-M400 HydrophobicContact CG-CE 4.41Å; F391-M400 HydrophobicContact CG-SD 4.17Å; I395-M400 HydrophobicContact CD1-SD 3.55Å; I395-M400 VanDerWaalsContact CD1-SD 3.55Å; M400-K402 VanDerWaalsContact C-N 3.32Å; M400-K402 PolarHBondContact O-N 3.39Å; M400-L403 HydrophobicContact CE-CD2 4.06Å; M400-L403 WeakPolarHBondContact O-CB 3.17Å; M400-L403 PolarHBondContact O-N 2.8Å; M400-L403 HydrophobicContact SD-CD2 4.14Å; M400-L404 WeakPolarHBondContact O-CB 3.49Å; M400-L404 WeakPolarHBondContact O-CG 3.39Å; M400-L404 PolarHBondContact O-N 3.17Å |
| 401 | E | 90.3 | Very high | 86 | Confident | 98 Ų | 98 | 65.7 Ų | 65.7 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 177.9 | -56.4 | 75.9 | -168.1 | 0 | 0 | 111.1 | P399 L404 C405 | P399-E401 VanDerWaalsContact C-N 3.27Å; P399-E401 WeakPolarHBondContact CB-OE2 3.2Å; P399-E401 PolarHBondContact O-N 3.16Å; E401-L404 PolarHBondContact O-N 2.95Å; E401-C405 WeakPolarHBondContact O-CB 3.03Å; E401-C405 PolarHBondContact O-N 3.23Å |
| 402 | K | 88.9 | Confident | 85.8 | Confident | 118 Ų | 118 | 69.1 Ų | 69.1 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 176.3 | -178.2 | -179.5 | 173.4 | -170.7 | 0 | 111 | T398 P399 M400 L404 C405 D406 | T398-K402 HydrophobicContact CG2-CB 4.47Å; T398-K402 HydrophobicContact CG2-CD 4.19Å; P399-K402 HydrophobicContact CG-CB 3.95Å; P399-K402 PolarHBondContact O-N 3.48Å; P399-K402 VanDerWaalsContact O-N 3.14Å; M400-K402 VanDerWaalsContact C-N 3.32Å; M400-K402 PolarHBondContact O-N 3.39Å; K402-L404 VanDerWaalsContact C-N 3.34Å; K402-L404 PolarHBondContact O-N 3.06Å; K402-C405 WeakPolarHBondContact O-CB 3.41Å; K402-C405 PolarHBondContact O-N 3.26Å; K402-D406 PolarHBondContact O-N 2.84Å |
| 403 | L | 90.4 | Very high | 85.8 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.5 | -47 | 177.7 | 178.3 | 69.6 | 0 | 0 | 0 | 111.1 | L228 I395 P399 M400 D406 M407 | L228-L403 HydrophobicContact CD2-CD2 3.89Å; I395-L403 HydrophobicContact CD1-CD2 3.96Å; I395-L403 HydrophobicContact CG2-CD1 4.46Å; I395-L403 HydrophobicContact CG2-CD2 3.97Å; P399-L403 PolarHBondContact O-N 3.34Å; M400-L403 HydrophobicContact CE-CD2 4.06Å; M400-L403 WeakPolarHBondContact O-CB 3.17Å; M400-L403 PolarHBondContact O-N 2.8Å; M400-L403 HydrophobicContact SD-CD2 4.14Å; L403-D406 PolarHBondContact O-N 3.36Å; L403-M407 HydrophobicContact CD1-CG 4.43Å; L403-M407 HydrophobicContact CD1-SD 3.84Å; L403-M407 HydrophobicContact CD2-SD 4.19Å; L403-M407 HydrophobicContact CG-SD 3.58Å; L403-M407 VanDerWaalsContact CG-SD 3.58Å; L403-M407 WeakPolarHBondContact O-CB 3.31Å; L403-M407 WeakPolarHBondContact O-CG 3.13Å; L403-M407 PolarHBondContact O-N 3.07Å |
| 404 | L | 91.2 | Very high | 85.9 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.4 | -69.6 | 166.7 | 0 | 0 | 0 | 111.3 | L228 V232 W257 M400 E401 K402 D406 M407 F408 | L228-L404 HydrophobicContact CD1-CD2 4.24Å; V232-L404 HydrophobicContact CG2-CD2 3.69Å; W257-L404 HydrophobicContact CB-CD1 3.69Å; W257-L404 HydrophobicContact CB-CD2 3.86Å; W257-L404 HydrophobicContact CB-CG 4.42Å; W257-L404 VanDerWaalsContact CD1-CD1 3.49Å; W257-L404 HydrophobicContact CD2-CD1 4.41Å; W257-L404 HydrophobicContact CG-CD1 3.59Å; W257-L404 HydrophobicContact CG-CD2 4.42Å; M400-L404 WeakPolarHBondContact O-CB 3.49Å; M400-L404 WeakPolarHBondContact O-CG 3.39Å; M400-L404 PolarHBondContact O-N 3.17Å; E401-L404 PolarHBondContact O-N 2.95Å; K402-L404 VanDerWaalsContact C-N 3.34Å; K402-L404 PolarHBondContact O-N 3.06Å; L404-D406 VanDerWaalsContact C-N 3.32Å; L404-D406 PolarHBondContact O-N 3.2Å; L404-M407 CarbonylContact O-C 3.53Å; L404-M407 PolarHBondContact O-N 3.12Å; L404-F408 WeakPolarHBondContact O-CB 3.13Å; L404-F408 PolarHBondContact O-N 3.01Å |
| 405 | C | 87.8 | Confident | 86.1 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 22% | 0.216 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.6 | -43.4 | 175.5 | -112 | 0 | 0 | 0 | 0 | 112.7 | E401 K402 F408 K409 | E401-C405 WeakPolarHBondContact O-CB 3.03Å; E401-C405 PolarHBondContact O-N 3.23Å; K402-C405 WeakPolarHBondContact O-CB 3.41Å; K402-C405 PolarHBondContact O-N 3.26Å; C405-F408 PolarHBondContact O-N 3.05Å; C405-K409 WeakPolarHBondContact O-CD 3.21Å; C405-K409 VanDerWaalsContact O-CG 3.25Å; C405-K409 WeakPolarHBondContact O-CG 3.31Å; C405-K409 PolarHBondContact O-N 3.26Å; C405-K409 VanDerWaalsContact O-N 3.09Å |
| 406 | D | 86.9 | Confident | 86.1 | Confident | 70 Ų | 70 | 65.3 Ų | 65.3 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.3 | -41.4 | -179.9 | -67.8 | -19 | 0 | 0 | 0 | 111 | K402 L403 L404 F408 K409 N410 | K402-D406 PolarHBondContact O-N 2.84Å; L403-D406 PolarHBondContact O-N 3.36Å; L404-D406 VanDerWaalsContact C-N 3.32Å; L404-D406 PolarHBondContact O-N 3.2Å; D406-F408 VanDerWaalsContact C-N 3.26Å; D406-F408 PolarHBondContact O-N 2.93Å; D406-K409 PolarHBondContact O-N 2.79Å; D406-N410 PolarHBondContact O-N 2.8Å; D406-N410 PolarHBondContact O-ND2 2.81Å |
| 407 | M | 88.7 | Confident | 86.3 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.4 | -24 | 172.6 | -66.7 | 165.7 | 69.2 | 0 | 0 | 113.2 | L228 F229 V232 L403 L404 | L228-M407 HydrophobicContact CB-CE 4.24Å; L228-M407 HydrophobicContact CD2-CE 4.14Å; L228-M407 HydrophobicContact CD2-SD 4.19Å; L228-M407 HydrophobicContact CG-CE 3.92Å; F229-M407 HydrophobicContact CB-CE 3.67Å; F229-M407 HydrophobicContact CD2-CE 3.98Å; F229-M407 HydrophobicContact CG-CE 4.34Å; F229-M407 VanDerWaalsContact N-CE 3.32Å; V232-M407 HydrophobicContact CG1-CB 4.1Å; V232-M407 HydrophobicContact CG2-CB 4.47Å; V232-M407 HydrophobicContact CG2-CE 4.14Å; L403-M407 HydrophobicContact CD1-CG 4.43Å; L403-M407 HydrophobicContact CD1-SD 3.84Å; L403-M407 HydrophobicContact CD2-SD 4.19Å; L403-M407 HydrophobicContact CG-SD 3.58Å; L403-M407 VanDerWaalsContact CG-SD 3.58Å; L403-M407 WeakPolarHBondContact O-CB 3.31Å; L403-M407 WeakPolarHBondContact O-CG 3.13Å; L403-M407 PolarHBondContact O-N 3.07Å; L404-M407 CarbonylContact O-C 3.53Å; L404-M407 PolarHBondContact O-N 3.12Å |
| 408 | F | 85.4 | Confident | 86.4 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -83.7 | -32.2 | 179 | -164 | -104.2 | 0 | 0 | 0 | 112.5 | V232 K236 F241 F246 Q249 V250 L253 L404 C405 D406 | V232-F408 HydrophobicContact CG1-CB 4.41Å; V232-F408 HydrophobicContact CG1-CD2 4.07Å; K236-F408 HydrophobicContact CD-CD2 3.79Å; K236-F408 HydrophobicContact CD-CE2 4.03Å; K236-F408 HydrophobicContact CD-CG 4.35Å; K236-F408 WeakPolarHBondContact CD-O 3.37Å; K236-F408 WeakPolarHBondContact CE-O 2.88Å; K236-F408 HydrophobicContact CG-CD2 3.55Å; K236-F408 HydrophobicContact CG-CE2 3.28Å; K236-F408 HydrophobicContact CG-CG 4.47Å; K236-F408 HydrophobicContact CG-CZ 4.03Å; K236-F408 PolarHBondContact NZ-O 2.92Å; F241-F408 AromaticContact CE1-CE2 3.78Å; F241-F408 HydrophobicContact CE1-CE2 3.78Å; F241-F408 AromaticContact CE1-CZ 3.84Å; F241-F408 HydrophobicContact CE1-CZ 3.84Å; F246-F408 HydrophobicContact CD2-CE1 4.16Å; F246-F408 AromaticContact CE2-CD1 3.95Å; F246-F408 HydrophobicContact CE2-CD1 3.95Å; F246-F408 AromaticContact CE2-CE1 3.66Å; F246-F408 HydrophobicContact CE2-CE1 3.66Å; F246-F408 HydrophobicContact CZ-CD1 4.33Å; F246-F408 HydrophobicContact CZ-CE1 4.4Å; Q249-F408 HydrophobicContact CB-CE1 4.33Å; Q249-F408 HydrophobicContact CB-CZ 3.96Å; V250-F408 HydrophobicContact CG2-CD1 4.29Å; V250-F408 HydrophobicContact CG2-CE1 4.42Å; L253-F408 HydrophobicContact CD2-CB 4.35Å; L253-F408 HydrophobicContact CD2-CD2 3.46Å; L253-F408 VanDerWaalsContact CD2-CD2 3.46Å; L253-F408 HydrophobicContact CD2-CE2 4.03Å; L253-F408 HydrophobicContact CD2-CG 4.14Å; L404-F408 WeakPolarHBondContact O-CB 3.13Å; L404-F408 PolarHBondContact O-N 3.01Å; C405-F408 PolarHBondContact O-N 3.05Å; D406-F408 VanDerWaalsContact C-N 3.26Å; D406-F408 PolarHBondContact O-N 2.93Å |
| 409 | K | 81.6 | Confident | 86.3 | Confident | 132 Ų | 132 | 62.7 Ų | 62.7 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -77.1 | -32.9 | 178 | -70.5 | 162.4 | -166.5 | 162.1 | 0 | 113 | C405 D406 | C405-K409 WeakPolarHBondContact O-CD 3.21Å; C405-K409 VanDerWaalsContact O-CG 3.25Å; C405-K409 WeakPolarHBondContact O-CG 3.31Å; C405-K409 PolarHBondContact O-N 3.26Å; C405-K409 VanDerWaalsContact O-N 3.09Å; D406-K409 PolarHBondContact O-N 2.79Å |
| 410 | N | 63.1 | Low | 86 | Confident | 159 Ų | 159 | 62.5 Ų | 62.5 | 85% | 0.85 | 31% | 0.307 | S | S | * | . | trans | -80.3 | 0 | 174.9 | -63.4 | -36.7 | 0 | 0 | 0 | 111.5 | K236 D406 | K236-N410 PolarHBondContact NZ-O 3.05Å; K236-N410 PolarHBondContact NZ-OXT 3.49Å; D406-N410 PolarHBondContact O-N 2.8Å; D406-N410 PolarHBondContact O-ND2 2.81Å |
Retrieved 410 of 410 residues in 1185.6 ms
(Link to these results)